#    This is the January 2013 version of gaff from AmberTools13.
####################################################################
# To use this, LAMMPS currently must be compiled with the USER-MISC package.
# (Type "make yes-user-misc" into the shell before compiling LAMMPS.)
####################################################################
#    This moltemplate (LT) file was generated automatically using
# amberparm2lt.sh gaff.dat GAFF
####################################################################
#    Background information and usage explanation:
# This file contanis a list of atom types and rules for generating bonded
# interactions between these atoms (hopefully) according to AMBER conventions.
# By using the atom types shown below in your own molecules, bonds and angular 
# interactions will be automatically generated.
# AMBER (GAFF) force-field parameters will also be assigned to each angle
# interaction (according to these atom types).
# One way to apply the GAFF force field to a particular type of molecule, is
# to use the "inherits" keyword when you define that molecule.  For example:
# import("gaff.lt")
# MoleculeType inherits GAFF {
#   write_once("Data Atoms") {
#     $atom:C1 $mol:... @atom:cx 0.0 4.183 3.194 13.285
#     $atom:C2 $mol:... @atom:cx 0.0 4.291 4.618 13.382
#        :       :         :
#   }
# }
#(See "Inheritance" and "short names vs. full names" in the moltemplate manual.)
####################################################################
#    Moltemplate can not assign atom charge.  You must assign atomic
# charges yourself.  (Moltemplate is only a simple text manipulation tool.)
####################################################################


GAFF {

  # ----------------------------------------------------------------------
  # The basic atom nomenclature and conventions are explained here:
  #   http://ambermd.org/antechamber/gaff.pdf
  # For reference, the original gaff.dat file and format documenation are here:
  #   http://ambermd.org/AmberTools-get.html
  #   http://ambermd.org/formats.html#parm.dat
  # ----------------------------------------------------------------------

  write_once("Data Masses") {
    @atom:c 12.01   # Sp2 C carbonyl group
    @atom:c1 12.01   # Sp C
    @atom:c2 12.01   # Sp2 C
    @atom:c3 12.01   # Sp3 C
    @atom:ca 12.01   # Sp2 C in pure aromatic systems
    @atom:cp 12.01   # Head Sp2 C that connect two rings in biphenyl sys.
    @atom:cq 12.01   # Head Sp2 C that connect two rings in biphenyl sys. identical to cp
    @atom:cc 12.01   # Sp2 carbons in non-pure aromatic systems
    @atom:cd 12.01   # Sp2 carbons in non-pure aromatic systems, identical to cc
    @atom:ce 12.01   # Inner Sp2 carbons in conjugated systems
    @atom:cf 12.01   # Inner Sp2 carbons in conjugated systems, identical to ce
    @atom:cg 12.01   # Inner Sp carbons in conjugated systems
    @atom:ch 12.01   # Inner Sp carbons in conjugated systems, identical to cg
    @atom:cx 12.01   # Sp3 carbons in triangle systems
    @atom:cy 12.01   # Sp3 carbons in square systems
    @atom:cu 12.01   # Sp2 carbons in triangle systems
    @atom:cv 12.01   # Sp2 carbons in square systems
    @atom:cz 12.01   # Sp2 carbon in guanidine group
    @atom:h1 1.008   # H bonded to aliphatic carbon with 1 electrwd. group
    @atom:h2 1.008   # H bonded to aliphatic carbon with 2 electrwd. group
    @atom:h3 1.008   # H bonded to aliphatic carbon with 3 electrwd. group
    @atom:h4 1.008   # H bonded to non-sp3 carbon with 1 electrwd. group
    @atom:h5 1.008   # H bonded to non-sp3 carbon with 2 electrwd. group
    @atom:ha 1.008   # H bonded to aromatic carbon
    @atom:hc 1.008   # H bonded to aliphatic carbon without electrwd. group
    @atom:hn 1.008   # H bonded to nitrogen atoms
    @atom:ho 1.008   # Hydroxyl group
    @atom:hp 1.008   # H bonded to phosphate
    @atom:hs 1.008   # Hydrogen bonded to sulphur
    @atom:hw 1.008   # Hydrogen in water
    @atom:hx 1.008   # H bonded to C next to positively charged group
    @atom:f 19.00   # Fluorine
    @atom:cl 35.45   # Chlorine
    @atom:br 79.90   # Bromine
    @atom:i 126.9   # Iodine
    @atom:n 14.01   # Sp2 nitrogen in amide groups
    @atom:n1 14.01   # Sp N
    @atom:n2 14.01   # aliphatic Sp2 N with two connected atoms
    @atom:n3 14.01   # Sp3 N with three connected atoms
    @atom:n4 14.01   # Sp3 N with four connected atoms
    @atom:na 14.01   # Sp2 N with three connected atoms
    @atom:nb 14.01   # Sp2 N in pure aromatic systems
    @atom:nc 14.01   # Sp2 N in non-pure aromatic systems
    @atom:nd 14.01   # Sp2 N in non-pure aromatic systems, identical to nc
    @atom:ne 14.01   # Inner Sp2 N in conjugated systems
    @atom:nf 14.01   # Inner Sp2 N in conjugated systems, identical to ne
    @atom:nh 14.01   # Amine N connected one or more aromatic rings
    @atom:no 14.01   # Nitro N
    @atom:o 16.00   # Oxygen with one connected atom
    @atom:oh 16.00   # Oxygen in hydroxyl group
    @atom:os 16.00   # Ether and ester oxygen
    @atom:ow 16.00   # Oxygen in water
    @atom:p2 30.97   # Phosphate with two connected atoms
    @atom:p3 30.97   # Phosphate with three connected atoms, such as PH3
    @atom:p4 30.97   # Phosphate with three connected atoms, such as O=P(CH3)2
    @atom:p5 30.97   # Phosphate with four connected atoms, such as O=P(OH)3
    @atom:pb 30.97   # Sp2 P in pure aromatic systems
    @atom:pc 30.97   # Sp2 P in non-pure aromatic systems
    @atom:pd 30.97   # Sp2 P in non-pure aromatic systems, identical to pc
    @atom:pe 30.97   # Inner Sp2 P in conjugated systems
    @atom:pf 30.97   # Inner Sp2 P in conjugated systems, identical to pe
    @atom:px 30.97   # Special p4 in conjugated systems
    @atom:py 30.97   # Special p5 in conjugated systems
    @atom:s 32.06   # S with one connected atom
    @atom:s2 32.06   # S with two connected atom, involved at least one double bond
    @atom:s4 32.06   # S with three connected atoms
    @atom:s6 32.06   # S with four connected atoms
    @atom:sh 32.06   # Sp3 S connected with hydrogen
    @atom:ss 32.06   # Sp3 S in thio-ester and thio-ether
    @atom:sx 32.06   # Special s4 in conjugated systems
    @atom:sy 32.06   # Special s6 in conjugated systems
  } # (end of masses)

  write_once("In Settings") {
    pair_coeff @atom:h1 @atom:h1 lj/charmm/coul/long 0.0157 1.3870   # Veenstra et al JCC,8,(1992),963
    pair_coeff @atom:h2 @atom:h2 lj/charmm/coul/long 0.0157 1.2870   # Veenstra et al JCC,8,(1992),963
    pair_coeff @atom:h3 @atom:h3 lj/charmm/coul/long 0.0157 1.1870   # Veenstra et al JCC,8,(1992),963
    pair_coeff @atom:h4 @atom:h4 lj/charmm/coul/long 0.0150 1.4090   # Spellmeyer, one electrowithdr. neighbor
    pair_coeff @atom:h5 @atom:h5 lj/charmm/coul/long 0.0150 1.3590   # Spellmeyer, two electrowithdr. neighbor
    pair_coeff @atom:ha @atom:ha lj/charmm/coul/long 0.0150 1.4590   # Spellmeyer
    pair_coeff @atom:hc @atom:hc lj/charmm/coul/long 0.0157 1.4870   # OPLS
    pair_coeff @atom:hn @atom:hn lj/charmm/coul/long 0.0157 0.6000   # !Ferguson base pair geom.
    pair_coeff @atom:ho @atom:ho lj/charmm/coul/long 0.0000 0.0000   # OPLS Jorgensen, JACS,110,(1988),1657
    pair_coeff @atom:hp @atom:hp lj/charmm/coul/long 0.0157 0.6000   # same to hs (be careful !)
    pair_coeff @atom:hs @atom:hs lj/charmm/coul/long 0.0157 0.6000   # W. Cornell CH3SH --> CH3OH FEP
    pair_coeff @atom:hw @atom:hw lj/charmm/coul/long 0.0000 0.0000   # OPLS Jorgensen, JACS,110,(1988),1657
    pair_coeff @atom:hx @atom:hx lj/charmm/coul/long 0.0157 1.1000   # Veenstra et al JCC,8,(1992),963
    pair_coeff @atom:o @atom:o lj/charmm/coul/long 0.2100 1.6612   # OPLS
    pair_coeff @atom:oh @atom:oh lj/charmm/coul/long 0.2104 1.7210   # OPLS
    pair_coeff @atom:os @atom:os lj/charmm/coul/long 0.1700 1.6837   # OPLS ether
    pair_coeff @atom:ow @atom:ow lj/charmm/coul/long 0.1520 1.7683   # TIP3P water model
    pair_coeff @atom:c @atom:c lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:c1 @atom:c1 lj/charmm/coul/long 0.2100 1.9080   # cp C DLM 11/2007 well depth from OPLS replacing 0.0860
    pair_coeff @atom:c2 @atom:c2 lj/charmm/coul/long 0.0860 1.9080   # sp2 atom in the middle of C=CD-CD=C
    pair_coeff @atom:c3 @atom:c3 lj/charmm/coul/long 0.1094 1.9080   # OPLS
    pair_coeff @atom:ca @atom:ca lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cc @atom:cc lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cd @atom:cd lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:ce @atom:ce lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cf @atom:cf lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cg @atom:cg lj/charmm/coul/long 0.2100 1.9080   # DLM 12/2007 as c1
    pair_coeff @atom:ch @atom:ch lj/charmm/coul/long 0.2100 1.9080   # DLM 12/2007 as c1
    pair_coeff @atom:cp @atom:cp lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cq @atom:cq lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cu @atom:cu lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cv @atom:cv lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cx @atom:cx lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cy @atom:cy lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:cz @atom:cz lj/charmm/coul/long 0.0860 1.9080   # OPLS
    pair_coeff @atom:n @atom:n lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:n1 @atom:n1 lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:n2 @atom:n2 lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:n3 @atom:n3 lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:n4 @atom:n4 lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:na @atom:na lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:nb @atom:nb lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:nc @atom:nc lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:nd @atom:nd lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:ne @atom:ne lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:nf @atom:nf lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:nh @atom:nh lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:no @atom:no lj/charmm/coul/long 0.1700 1.8240   # OPLS
    pair_coeff @atom:s @atom:s lj/charmm/coul/long 0.2500 2.0000   # W. Cornell CH3SH and CH3SCH3 FEP's
    pair_coeff @atom:s2 @atom:s2 lj/charmm/coul/long 0.2500 2.0000   # W. Cornell CH3SH and CH3SCH3 FEP's
    pair_coeff @atom:s4 @atom:s4 lj/charmm/coul/long 0.2500 2.0000   # W. Cornell CH3SH and CH3SCH3 FEP's
    pair_coeff @atom:s6 @atom:s6 lj/charmm/coul/long 0.2500 2.0000   # W. Cornell CH3SH and CH3SCH3 FEP's
    pair_coeff @atom:sx @atom:sx lj/charmm/coul/long 0.2500 2.0000   # W. Cornell CH3SH and CH3SCH3 FEP's
    pair_coeff @atom:sy @atom:sy lj/charmm/coul/long 0.2500 2.0000   # W. Cornell CH3SH and CH3SCH3 FEP's
    pair_coeff @atom:sh @atom:sh lj/charmm/coul/long 0.2500 2.0000   # W. Cornell CH3SH and CH3SCH3 FEP's
    pair_coeff @atom:ss @atom:ss lj/charmm/coul/long 0.2500 2.0000   # W. Cornell CH3SH and CH3SCH3 FEP's
    pair_coeff @atom:p2 @atom:p2 lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:p3 @atom:p3 lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:p4 @atom:p4 lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:p5 @atom:p5 lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:pb @atom:pb lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:pc @atom:pc lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:pd @atom:pd lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:pe @atom:pe lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:pf @atom:pf lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:px @atom:px lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:py @atom:py lj/charmm/coul/long 0.2000 2.1000   # JCC,7,(1986),230;
    pair_coeff @atom:f @atom:f lj/charmm/coul/long 0.061 1.75   # Gough et al. JCC 13,(1992),963.
    pair_coeff @atom:cl @atom:cl lj/charmm/coul/long 0.265 1.948   # Fox, JPCB,102,8070,(98),flex.mdl CHCl3
    pair_coeff @atom:br @atom:br lj/charmm/coul/long 0.420 2.02   # Junmei, 2010
    pair_coeff @atom:i @atom:i lj/charmm/coul/long 0.50 2.15   # Junmei, 2010
  } # (end of pair_coeffs)

  write_once("In Settings") {
    bond_coeff @bond:ow-hw harmonic 553.0 0.9572   # TIP3P_Water 1
    bond_coeff @bond:br-br harmonic 123.2 2.5420   # SOURCE1 4 0.0000
    bond_coeff @bond:br-c1 harmonic 352.7 1.7870   # SOURCE2 4 0.0024
    bond_coeff @bond:br-c2 harmonic 278.7 1.8830   # SOURCE1 31 0.0000
    bond_coeff @bond:br-c harmonic 240.3 1.9460   # SOURCE2 2 0.0285
    bond_coeff @bond:br-c3 harmonic 229.5 1.9660   # SOURCE1 100 0.0000
    bond_coeff @bond:br-ca harmonic 269.6 1.8970   # SOURCE1 127 0.0058
    bond_coeff @bond:br-cc harmonic 277.6 1.8847   # SOURCE4 39 0.0068
    bond_coeff @bond:br-cx harmonic 261.4 1.9100   # SOURCE1 8 0.0000
    bond_coeff @bond:br-i harmonic 142.4 2.6710   # SOURCE1 2 0.0245
    bond_coeff @bond:br-n1 harmonic 330.4 1.8600   # SOUECE3 1
    bond_coeff @bond:br-n2 harmonic 219.0 2.0380   # SOURCE3 5 0.1082
    bond_coeff @bond:br-n harmonic 320.2 1.8730   # SOURCE3 4 0.0046
    bond_coeff @bond:br-n3 harmonic 265.9 1.9520   # SOURCE3 2 0.0000
    bond_coeff @bond:br-n4 harmonic 282.4 1.9260   # SOURCE3 3 0.0013
    bond_coeff @bond:br-na harmonic 237.3 2.0020   # SOURCE3 7 0.2156
    bond_coeff @bond:br-nh harmonic 270.9 1.9440   # SOURCE3 1 0.0000
    bond_coeff @bond:br-no harmonic 191.0 2.1010   # SOURCE3 1 0.0000
    bond_coeff @bond:br-o harmonic 278.9 1.8000   # SOUECE3 1
    bond_coeff @bond:br-oh harmonic 237.2 1.8660   # SOURCE3 1 0.0000
    bond_coeff @bond:br-os harmonic 225.6 1.8870   # SOURCE3 2 0.0000
    bond_coeff @bond:br-p2 harmonic 174.3 2.2100   # SOURCE3 9 0.0510
    bond_coeff @bond:br-p3 harmonic 167.0 2.2310   # SOURCE3 3 0.0101
    bond_coeff @bond:br-p4 harmonic 188.8 2.1710   # SOUECE3 1
    bond_coeff @bond:br-p5 harmonic 179.3 2.1960   # SOURCE3 3 0.0099
    bond_coeff @bond:br-s harmonic 170.6 2.2200   # SOUECE3 1
    bond_coeff @bond:br-s4 harmonic 134.3 2.3410   # SOURCE3 1 0.0000
    bond_coeff @bond:br-s6 harmonic 172.7 2.2140   # SOURCE3 3 0.0443
    bond_coeff @bond:br-sh harmonic 174.4 2.2090   # SOURCE3 1 0.0000
    bond_coeff @bond:br-ss harmonic 176.6 2.2030   # SOURCE3 3 0.0035
    bond_coeff @bond:c1-c1 harmonic 986.2 1.1810   # SOURCE1 265 0.0031
    bond_coeff @bond:c1-c2 harmonic 625.0 1.3070   # SOURCE1 18 0.0000
    bond_coeff @bond:c1-c3 harmonic 368.3 1.4700   # SOURCE1 215 0.0017
    bond_coeff @bond:c1-ca harmonic 404.1 1.4400   # SOUECE3 1
    bond_coeff @bond:c1-ce harmonic 607.4 1.3153   # SOURCE4 6 0.0086
    bond_coeff @bond:c1-cg harmonic 845.8 1.2220   # SOURCE3 22 0.0101
    bond_coeff @bond:c1-ch harmonic 845.8 1.2220   # SOURCE3 22 same_as_c1-cg
    bond_coeff @bond:c1-cl harmonic 419.7 1.6310   # SOURCE2 6 0.0050
    bond_coeff @bond:c1-cx harmonic 399.1 1.4440   # SOURCE1 38 0.0000
    bond_coeff @bond:c1-f harmonic 469.4 1.2700   # SOURCE2 2 0.0085
    bond_coeff @bond:c1-ha harmonic 375.9 1.0660   # SOURCE3 63 0.0035
    bond_coeff @bond:c1-hc harmonic 385.6 1.0600   # SOUECE3 1
    bond_coeff @bond:c1-i harmonic 318.8 1.9890   # SOURCE2 4 0.0032
    bond_coeff @bond:c1-n1 harmonic 1014.5 1.1380   # SOURCE1 170 0.0055
    bond_coeff @bond:c1-n2 harmonic 769.8 1.2100   # SOURCE3 5 0.0115
    bond_coeff @bond:c1-n3 harmonic 409.8 1.3920   # SOURCE2 1 0.0000
    bond_coeff @bond:c1-n4 harmonic 378.2 1.4170   # SOURCE3 3 0.0032
    bond_coeff @bond:c1-n harmonic 503.0 1.3300   # SOUECE3 1
    bond_coeff @bond:c1-na harmonic 452.0 1.3620   # SOURCE3 8 0.0034
    bond_coeff @bond:c1-ne harmonic 803.3 1.1986   # SOURCE4 10 0.0088
    bond_coeff @bond:c1-nf harmonic 803.3 1.1986   # SOURCE4 10 same_as_c1-ne
    bond_coeff @bond:c1-nh harmonic 485.0 1.3408   # SOURCE4 11 0.0037
    bond_coeff @bond:c1-no harmonic 393.0 1.4050   # SOURCE3 3 0.0005
    bond_coeff @bond:c1-o harmonic 777.0 1.1660   # SOURCE2 9 0.0052
    bond_coeff @bond:c1-oh harmonic 435.6 1.3260   # SOURCE3 1 0.0000
    bond_coeff @bond:c1-os harmonic 437.1 1.3250   # SOURCE3 3 0.0148
    bond_coeff @bond:c1-p2 harmonic 289.3 1.7700   # SOUECE3 1
    bond_coeff @bond:c1-p3 harmonic 275.1 1.7900   # SOUECE3 1
    bond_coeff @bond:c1-p4 harmonic 275.1 1.7900   # SOUECE3 1
    bond_coeff @bond:c1-p5 harmonic 302.2 1.7530   # SOURCE3 2 0.0000
    bond_coeff @bond:c1-s2 harmonic 410.0 1.5950   # SOURCE3 1 0.0000
    bond_coeff @bond:c1-s harmonic 371.8 1.6300   # SOURCE1 14 0.0000
    bond_coeff @bond:c1-s4 harmonic 272.9 1.7460   # SOURCE3 2 0.0000
    bond_coeff @bond:c1-s6 harmonic 290.4 1.7220   # SOURCE3 2 0.0000
    bond_coeff @bond:c1-sh harmonic 324.5 1.6800   # SOUECE3 1
    bond_coeff @bond:c1-ss harmonic 325.4 1.6790   # SOURCE1 10 0.0000
    bond_coeff @bond:c2-c2 harmonic 589.7 1.3240   # SOURCE1 974 0.0096
    bond_coeff @bond:c2-c3 harmonic 328.3 1.5080   # SOURCE1 2536 0.0021
    bond_coeff @bond:c2-ca harmonic 357.2 1.4800   # SOUECE3 1
    bond_coeff @bond:c2-cc harmonic 522.6 1.3600   # SOURCE1 771 0.0185
    bond_coeff @bond:c2-cd harmonic 522.6 1.3600   # SOURCE1 771 0.0185
    bond_coeff @bond:c2-ce harmonic 560.5 1.3390   # SOURCE3 62 0.0128
    bond_coeff @bond:c2-cf harmonic 560.5 1.3390   # SOURCE3 62 same_as_c2-ce
    bond_coeff @bond:c2-cl harmonic 328.8 1.7220   # SOURCE1 163 0.0098
    bond_coeff @bond:c2-cu harmonic 573.9 1.3320   # SOURCE2 1 0.0000
    bond_coeff @bond:c2-cx harmonic 353.3 1.4836   # SOURCE4 26 0.0064
    bond_coeff @bond:c2-cy harmonic 331.7 1.5046   # SOURCE4 9 0.0053
    bond_coeff @bond:c2-f harmonic 368.7 1.3400   # SOURCE1 34 0.0000
    bond_coeff @bond:c2-h4 harmonic 348.6 1.0840   # SOURCE3 40 0.0058
    bond_coeff @bond:c2-h5 harmonic 338.0 1.0915   # SOURCE4 42 0.0017
    bond_coeff @bond:c2-ha harmonic 344.3 1.0870   # SOURCE3 797 0.0046
    bond_coeff @bond:c2-hc harmonic 344.3 1.0870   # SOURCE3 789 0.0046
    bond_coeff @bond:c2-hx harmonic 350.1 1.0830   # SOURCE3 3 0.0008
    bond_coeff @bond:c2-i harmonic 223.2 2.1530   # SOURCE3 2 0.0000
    bond_coeff @bond:c2-n1 harmonic 546.0 1.3060   # SOURCE3 4 0.0161
    bond_coeff @bond:c2-n2 harmonic 581.1 1.2880   # SOURCE1 103 0.0100
    bond_coeff @bond:c2-n3 harmonic 486.3 1.3400   # SOUECE3 1
    bond_coeff @bond:c2-n harmonic 390.5 1.4070   # SOURCE3 9 0.0124
    bond_coeff @bond:c2-n4 harmonic 309.1 1.4820   # SOURCE3 5 0.0064
    bond_coeff @bond:c2-na harmonic 411.1 1.3910   # SOURCE3 31 0.0289
    bond_coeff @bond:c2-nc harmonic 533.0 1.3130   # SOURCE1 99 0.0095
    bond_coeff @bond:c2-nd harmonic 533.0 1.3130   # SOURCE1 99 same_as_c2-nc
    bond_coeff @bond:c2-ne harmonic 597.7 1.2800   # SOURCE3 37 0.0110
    bond_coeff @bond:c2-nf harmonic 597.7 1.2800   # SOURCE3 37 same_as_c2-ne
    bond_coeff @bond:c2-nh harmonic 462.6 1.3550   # SOURCE3 38 0.0413
    bond_coeff @bond:c2-no harmonic 345.6 1.4457   # SOURCE4 7 0.0087
    bond_coeff @bond:c2-o harmonic 623.6 1.2244   # SOURCE4 15 0.0036
    bond_coeff @bond:c2-oh harmonic 425.4 1.3330   # SOURCE1 53 0.0000
    bond_coeff @bond:c2-os harmonic 392.6 1.3570   # SOURCE1 315 0.0097
    bond_coeff @bond:c2-p2 harmonic 375.9 1.6700   # SOURCE3 62 0.0147
    bond_coeff @bond:c2-p3 harmonic 246.6 1.8340   # SOURCE3 5 0.0042
    bond_coeff @bond:c2-p4 harmonic 254.0 1.8220   # SOUECE3 1
    bond_coeff @bond:c2-p5 harmonic 228.2 1.8658   # SOURCE4 5 0.0025
    bond_coeff @bond:c2-pe harmonic 355.3 1.6910   # SOURCE3 52 0.0542
    bond_coeff @bond:c2-pf harmonic 355.3 1.6910   # SOURCE3 52 same_as_c2-pe
    bond_coeff @bond:c2-s2 harmonic 393.1 1.6100   # SOURCE2 1 0.0000
    bond_coeff @bond:c2-s harmonic 281.5 1.7340   # SOURCE3 4 0.0034
    bond_coeff @bond:c2-s4 harmonic 263.2 1.7600   # SOUECE3 1
    bond_coeff @bond:c2-s6 harmonic 263.2 1.7600   # SOUECE3 1
    bond_coeff @bond:c2-sh harmonic 252.0 1.7771   # SOURCE4 5 0.0037
    bond_coeff @bond:c2-ss harmonic 280.0 1.7360   # SOURCE1 209 0.0155
    bond_coeff @bond:c3-c3 harmonic 303.1 1.5350   # SOURCE1 14664 0.0048
    bond_coeff @bond:c3-ca harmonic 323.5 1.5130   # SOURCE1 1813 0.0000
    bond_coeff @bond:c3-cc harmonic 337.3 1.4990   # SOURCE3 50 0.0096
    bond_coeff @bond:c3-cd harmonic 337.3 1.4990   # SOURCE3 50 0.0096
    bond_coeff @bond:c3-ce harmonic 331.3 1.5050   # SOURCE3 9 0.0024
    bond_coeff @bond:c3-cf harmonic 331.3 1.5050   # SOURCE3 9 same_as_c3-ce
    bond_coeff @bond:c3-cl harmonic 279.0 1.7860   # SOURCE1 267 0.0194
    bond_coeff @bond:c3-cu harmonic 359.4 1.4780   # SOURCE1 7 0.0000
    bond_coeff @bond:c3-cv harmonic 347.6 1.4890   # SOURCE1 11 0.0000
    bond_coeff @bond:c3-cx harmonic 322.5 1.5140   # SOURCE1 712 0.0045
    bond_coeff @bond:c3-cy harmonic 308.5 1.5290   # SOURCE1 376 0.0000
    bond_coeff @bond:c3-f harmonic 363.8 1.3440   # SOURCE1 617 0.0281
    bond_coeff @bond:c3-h1 harmonic 335.9 1.0930   # SOURCE3 2175 0.0082
    bond_coeff @bond:c3-h2 harmonic 326.4 1.1000   # SOURCE3 66 0.0280
    bond_coeff @bond:c3-h3 harmonic 333.4 1.0948   # SOURCE4 25 0.0026
    bond_coeff @bond:c3-hc harmonic 337.3 1.0920   # SOURCE3 2815 0.0059
    bond_coeff @bond:c3-hx harmonic 338.7 1.0910   # SOURCE3 146 0.0066
    bond_coeff @bond:c3-i harmonic 219.1 2.1620   # SOURCE1 15 0.0000
    bond_coeff @bond:c3-n1 harmonic 325.1 1.4700   # SOURCE3 0
    bond_coeff @bond:c3-n2 harmonic 313.8 1.4770   # SOURCE1 129 0.0138
    bond_coeff @bond:c3-n harmonic 330.6 1.4600   # SOURCE1 187 0.0079
    bond_coeff @bond:c3-n3 harmonic 320.6 1.4700   # SOURCE1 1678 0.0017
    bond_coeff @bond:c3-n4 harmonic 293.6 1.4990   # SOURCE1 1370 0.0000
    bond_coeff @bond:c3-na harmonic 334.7 1.4560   # SOURCE3 23 0.0119
    bond_coeff @bond:c3-nc harmonic 334.7 1.4560   # SOURCE3 9 0.0109
    bond_coeff @bond:c3-nd harmonic 334.7 1.4560   # SOURCE3 9 same_as_c3-nc
    bond_coeff @bond:c3-nh harmonic 332.7 1.4580   # SOURCE3 27 0.0085
    bond_coeff @bond:c3-no harmonic 265.4 1.5330   # SOURCE1 83 0.0212
    bond_coeff @bond:c3-o harmonic 449.9 1.3165   # SOURCE4 8 0.0193
    bond_coeff @bond:c3-oh harmonic 314.1 1.4260   # SOURCE1 914 0.0129
    bond_coeff @bond:c3-os harmonic 301.5 1.4390   # SOURCE1 3123 0.0126
    bond_coeff @bond:c3-p2 harmonic 234.3 1.8550   # SOURCE3 9 0.0125
    bond_coeff @bond:c3-p3 harmonic 240.6 1.8440   # SOURCE3 109 0.0107
    bond_coeff @bond:c3-p4 harmonic 247.2 1.8330   # SOURCE3 29 0.0138
    bond_coeff @bond:c3-p5 harmonic 259.7 1.8130   # SOURCE1 84 0.0000
    bond_coeff @bond:c3-px harmonic 252.7 1.8240   # SOURCE3 28 0.0098
    bond_coeff @bond:c3-py harmonic 259.7 1.8130   # SOURCE3 13 0.0163
    bond_coeff @bond:c3-s harmonic 212.9 1.8450   # SOURCE3 4 0.0185
    bond_coeff @bond:c3-s4 harmonic 233.8 1.8070   # SOURCE1 139 0.0023
    bond_coeff @bond:c3-s6 harmonic 254.0 1.7740   # SOURCE1 118 0.0103
    bond_coeff @bond:c3-sh harmonic 225.3 1.8220   # SOURCE3 12 0.0051
    bond_coeff @bond:c3-ss harmonic 225.8 1.8210   # SOURCE1 358 0.0075
    bond_coeff @bond:c3-sx harmonic 232.6 1.8090   # SOURCE3 30 0.0067
    bond_coeff @bond:c3-sy harmonic 248.9 1.7820   # SOURCE3 31 0.0039
    bond_coeff @bond:ca-ca harmonic 478.4 1.3870   # SOURCE1 6228 0.0147
    bond_coeff @bond:ca-cc harmonic 411.7 1.4340   # SOURCE1 80 0.0000
    bond_coeff @bond:ca-cd harmonic 411.7 1.4340   # SOURCE1 80 0.0000
    bond_coeff @bond:ca-ce harmonic 366.0 1.4720   # SOURCE1 71 0.0030
    bond_coeff @bond:ca-cf harmonic 366.0 1.4720   # SOURCE1 71 0.0030
    bond_coeff @bond:ca-cg harmonic 406.6 1.4380   # SOURCE1 71 0.0045
    bond_coeff @bond:ca-ch harmonic 406.6 1.4380   # SOURCE1 71 0.0045
    bond_coeff @bond:ca-cl harmonic 322.8 1.7290   # SOURCE1 704 0.0095
    bond_coeff @bond:ca-cp harmonic 466.1 1.3950   # SOURCE3 14 0.0110
    bond_coeff @bond:ca-cq harmonic 457.4 1.4009   # SOURCE4 14 0.0058
    bond_coeff @bond:ca-cx harmonic 350.8 1.4860   # SOURCE1 98 0.0118
    bond_coeff @bond:ca-cy harmonic 323.0 1.5135   # SOURCE4 8 0.0043
    bond_coeff @bond:ca-f harmonic 363.8 1.3440   # SOURCE1 205 0.0089
    bond_coeff @bond:ca-h4 harmonic 342.9 1.0880   # SOURCE3 57 0.0026
    bond_coeff @bond:ca-h5 harmonic 347.2 1.0850   # SOURCE3 15 0.0048
    bond_coeff @bond:ca-ha harmonic 344.3 1.0870   # SOURCE3 1496 0.0045
    bond_coeff @bond:ca-i harmonic 252.4 2.0950   # SOURCE1 51 0.0000
    bond_coeff @bond:ca-n1 harmonic 398.1 1.4000   # SOURCE3 0
    bond_coeff @bond:ca-n2 harmonic 551.6 1.3030   # SOURCE4 7 0.0058
    bond_coeff @bond:ca-n harmonic 372.3 1.4220   # SOURCE3 9 0.0098
    bond_coeff @bond:ca-n4 harmonic 325.6 1.4650   # SOURCE1 23 0.0000
    bond_coeff @bond:ca-na harmonic 470.3 1.3500   # SOURCE1 150 0.0103
    bond_coeff @bond:ca-nb harmonic 483.1 1.3420   # SOURCE3 104 0.0076
    bond_coeff @bond:ca-nc harmonic 492.9 1.3360   # SOURCE1 1826 0.0020
    bond_coeff @bond:ca-nd harmonic 492.9 1.3360   # SOURCE1 1826 0.0020
    bond_coeff @bond:ca-ne harmonic 361.8 1.4310   # SOURCE1 52 0.0000
    bond_coeff @bond:ca-nf harmonic 361.8 1.4310   # SOURCE1 52 0.0000
    bond_coeff @bond:ca-nh harmonic 449.0 1.3640   # SOURCE1 137 0.0085
    bond_coeff @bond:ca-no harmonic 322.6 1.4680   # SOURCE1 556 0.0000
    bond_coeff @bond:ca-o harmonic 610.0 1.2304   # SOURCE4 5 0.0026
    bond_coeff @bond:ca-oh harmonic 386.1 1.3620   # SOURCE1 551 0.0000
    bond_coeff @bond:ca-os harmonic 372.4 1.3730   # SOURCE1 1092 0.0071
    bond_coeff @bond:ca-p2 harmonic 243.0 1.8400   # SOUECE3 1
    bond_coeff @bond:ca-p3 harmonic 252.7 1.8240   # SOURCE1 145 0.0187
    bond_coeff @bond:ca-p4 harmonic 264.3 1.8060   # SOUECE3 1
    bond_coeff @bond:ca-p5 harmonic 271.6 1.7950   # SOURCE1 571 0.0028
    bond_coeff @bond:ca-pe harmonic 249.6 1.8290   # SOURCE3 10 0.0042
    bond_coeff @bond:ca-pf harmonic 249.6 1.8290   # SOURCE3 10 0.0042
    bond_coeff @bond:ca-px harmonic 252.1 1.8250   # SOURCE3 5 0.0168
    bond_coeff @bond:ca-py harmonic 268.3 1.7999   # SOURCE4 5 0.0072
    bond_coeff @bond:ca-s harmonic 277.9 1.7390   # SOURCE3 2 0.0000
    bond_coeff @bond:ca-s4 harmonic 245.2 1.7880   # SOURCE1 51 0.0048
    bond_coeff @bond:ca-s6 harmonic 263.9 1.7590   # SOURCE1 229 0.0036
    bond_coeff @bond:ca-sh harmonic 251.3 1.7783   # SOURCE4 12 0.0041
    bond_coeff @bond:ca-ss harmonic 256.6 1.7700   # SOURCE1 297 0.0041
    bond_coeff @bond:ca-sx harmonic 223.5 1.8252   # SOURCE4 24 0.0032
    bond_coeff @bond:ca-sy harmonic 247.7 1.7840   # SOURCE3 13 0.0094
    bond_coeff @bond:c-c1 harmonic 379.8 1.4600   # SOUECE3 1
    bond_coeff @bond:c-c2 harmonic 449.9 1.4060   # SOURCE3 2 0.0370
    bond_coeff @bond:c-c harmonic 290.1 1.5500   # SOURCE1 31 0.0100
    bond_coeff @bond:c-c3 harmonic 328.3 1.5080   # SOURCE1 2949 0.0060
    bond_coeff @bond:c-ca harmonic 349.7 1.4870   # SOURCE1 480 0.0055
    bond_coeff @bond:c-cc harmonic 377.4 1.4620   # SOURCE3 132 0.0210
    bond_coeff @bond:cc-cc harmonic 418.3 1.4290   # SOURCE1 740 0.0069
    bond_coeff @bond:cc-cd harmonic 504.0 1.3710   # SOURCE3 523 0.0217
    bond_coeff @bond:cc-ce harmonic 391.4 1.4502   # SOURCE4 157 0.0098
    bond_coeff @bond:cc-cf harmonic 521.7 1.3605   # SOURCE4 27 0.0086
    bond_coeff @bond:cc-cg harmonic 420.9 1.4270   # SOURCE1 560 0.0000
    bond_coeff @bond:cc-ch harmonic 420.9 1.4270   # SOURCE1 560 0.0000
    bond_coeff @bond:cc-cl harmonic 317.1 1.7359   # SOURCE4 55 0.0078
    bond_coeff @bond:cc-cx harmonic 369.3 1.4691   # SOURCE4 18 0.0037
    bond_coeff @bond:c-cd harmonic 377.4 1.4620   # SOURCE3 132 0.0210
    bond_coeff @bond:c-ce harmonic 363.8 1.4740   # SOURCE1 601 0.0105
    bond_coeff @bond:c-cf harmonic 363.8 1.4740   # SOURCE1 601 0.0105
    bond_coeff @bond:cc-f harmonic 368.6 1.3401   # SOURCE4 24 0.0034
    bond_coeff @bond:c-cg harmonic 389.3 1.4520   # SOURCE3 2 0.0000
    bond_coeff @bond:c-ch harmonic 389.3 1.4520   # SOURCE3 2 same_as_c-cg
    bond_coeff @bond:cc-h4 harmonic 350.1 1.0830   # SOURCE3 599 0.0037
    bond_coeff @bond:cc-h5 harmonic 356.0 1.0790   # SOURCE3 40 0.0051
    bond_coeff @bond:cc-ha harmonic 347.2 1.0850   # SOURCE3 740 0.0039
    bond_coeff @bond:c-cl harmonic 293.5 1.7660   # SOURCE3 6 0.0250
    bond_coeff @bond:cc-n2 harmonic 572.5 1.2923   # SOURCE4 61 0.0067
    bond_coeff @bond:cc-n harmonic 426.0 1.3800   # SOURCE3 56 0.0109
    bond_coeff @bond:cc-n4 harmonic 299.0 1.4930   # SOURCE4 7 0.0148
    bond_coeff @bond:cc-na harmonic 438.8 1.3710   # SOURCE3 440 0.0144
    bond_coeff @bond:cc-nc harmonic 431.6 1.3760   # SOURCE1 88 0.0000
    bond_coeff @bond:cc-nd harmonic 494.6 1.3350   # SOURCE3 203 0.0239
    bond_coeff @bond:cc-ne harmonic 427.4 1.3790   # SOURCE4 30 0.0126
    bond_coeff @bond:cc-nf harmonic 580.1 1.2885   # SOURCE4 10 0.0112
    bond_coeff @bond:cc-nh harmonic 449.0 1.3640   # SOURCE3 6 0.0040
    bond_coeff @bond:cc-no harmonic 367.4 1.4262   # SOURCE4 133 0.0061
    bond_coeff @bond:cc-oh harmonic 411.8 1.3427   # SOURCE4 64 0.0073
    bond_coeff @bond:cc-os harmonic 376.1 1.3700   # SOURCE3 86 0.0192
    bond_coeff @bond:cc-pd harmonic 318.2 1.7330   # SOURCE3 84 0.0161
    bond_coeff @bond:cc-sh harmonic 257.9 1.7681   # SOURCE4 8 0.0027
    bond_coeff @bond:cc-ss harmonic 279.3 1.7370   # SOURCE3 52 0.0194
    bond_coeff @bond:cc-sx harmonic 231.3 1.8113   # SOURCE4 16 0.0050
    bond_coeff @bond:cc-sy harmonic 245.7 1.7872   # SOURCE4 33 0.0105
    bond_coeff @bond:c-cu harmonic 441.4 1.4120   # SOURCE2 1 0.0000
    bond_coeff @bond:c-cx harmonic 350.8 1.4860   # SOURCE1 105 0.0000
    bond_coeff @bond:c-cy harmonic 308.5 1.5290   # SOURCE1 18 0.0000
    bond_coeff @bond:cd-cd harmonic 418.3 1.4290   # SOURCE1 740 0.0069
    bond_coeff @bond:cd-ce harmonic 504.8 1.3705   # SOURCE4 43 0.0138
    bond_coeff @bond:cd-cf harmonic 381.8 1.4583   # SOURCE4 92 0.0079
    bond_coeff @bond:cd-cg harmonic 420.9 1.4270   # SOURCE1 560 0.0000
    bond_coeff @bond:cd-ch harmonic 420.9 1.4270   # SOURCE1 560 0.0000
    bond_coeff @bond:cd-cl harmonic 317.3 1.7356   # SOURCE4 11 0.0080
    bond_coeff @bond:cd-cx harmonic 358.6 1.4787   # SOURCE4 6 0.0029
    bond_coeff @bond:cd-cy harmonic 330.9 1.5054   # SOURCE4 10 0.0008
    bond_coeff @bond:cd-h4 harmonic 350.1 1.0830   # SOURCE3 599 0.0037
    bond_coeff @bond:cd-h5 harmonic 356.0 1.0790   # SOURCE3 40 0.0051
    bond_coeff @bond:cd-ha harmonic 347.2 1.0850   # SOURCE3 740 0.0039
    bond_coeff @bond:cd-n2 harmonic 577.7 1.2897   # SOURCE4 20 0.0086
    bond_coeff @bond:cd-n harmonic 426.0 1.3800   # SOURCE3 56 0.0109
    bond_coeff @bond:cd-na harmonic 438.8 1.3710   # SOURCE3 440 0.0144
    bond_coeff @bond:cd-nc harmonic 494.6 1.3350   # SOURCE3 203 0.0239
    bond_coeff @bond:cd-nd harmonic 431.6 1.3760   # SOURCE1 88 0.0000
    bond_coeff @bond:cd-ne harmonic 554.1 1.3017   # SOURCE4 13 0.0118
    bond_coeff @bond:cd-nh harmonic 449.0 1.3640   # SOURCE3 6 0.0040
    bond_coeff @bond:cd-oh harmonic 404.7 1.3479   # SOURCE4 57 0.0063
    bond_coeff @bond:cd-os harmonic 376.1 1.3700   # SOURCE3 86 0.0192
    bond_coeff @bond:cd-pc harmonic 318.2 1.7330   # SOURCE3 84 same_as_cc-pd
    bond_coeff @bond:cd-ss harmonic 279.3 1.7370   # SOURCE3 52 0.0194
    bond_coeff @bond:cd-sy harmonic 251.7 1.7777   # SOURCE4 22 0.0034
    bond_coeff @bond:ce-ce harmonic 390.5 1.4510   # SOURCE1 66 0.0060
    bond_coeff @bond:ce-cf harmonic 562.4 1.3380   # SOURCE1 543 0.0045
    bond_coeff @bond:ce-cg harmonic 415.6 1.4310   # SOURCE1 22 0.0000
    bond_coeff @bond:ce-ch harmonic 415.6 1.4310   # SOURCE1 22 0.0000
    bond_coeff @bond:ce-cl harmonic 292.6 1.7671   # SOURCE4 24 0.0062
    bond_coeff @bond:ce-cx harmonic 337.0 1.4993   # SOURCE4 5 0.0066
    bond_coeff @bond:ce-cy harmonic 323.0 1.5135   # SOURCE4 17 0.0024
    bond_coeff @bond:ce-h4 harmonic 337.8 1.0916   # SOURCE4 125 0.0033
    bond_coeff @bond:ce-ha harmonic 341.5 1.0890   # SOURCE3 55 0.0056
    bond_coeff @bond:ce-n1 harmonic 540.3 1.3090   # SOURCE4 10 0.0027
    bond_coeff @bond:ce-n2 harmonic 599.8 1.2790   # SOURCE1 75 0.0000
    bond_coeff @bond:ce-n harmonic 369.2 1.4246   # SOURCE4 130 0.0066
    bond_coeff @bond:ce-na harmonic 373.8 1.4207   # SOURCE4 5 0.0051
    bond_coeff @bond:ce-ne harmonic 381.8 1.4140   # SOURCE3 7 0.0103
    bond_coeff @bond:ce-nf harmonic 571.9 1.2926   # SOURCE4 15 0.0042
    bond_coeff @bond:ce-nh harmonic 410.8 1.3912   # SOURCE4 148 0.0104
    bond_coeff @bond:ce-oh harmonic 395.9 1.3545   # SOURCE4 23 0.0100
    bond_coeff @bond:ce-os harmonic 370.6 1.3745   # SOURCE4 39 0.0077
    bond_coeff @bond:ce-p2 harmonic 259.1 1.8140   # SOUECE3 1
    bond_coeff @bond:ce-pe harmonic 256.5 1.8180   # SOURCE3 8 0.0108
    bond_coeff @bond:ce-px harmonic 254.6 1.8210   # SOURCE3 6 0.0046
    bond_coeff @bond:ce-py harmonic 272.3 1.7940   # SOURCE3 5 0.0045
    bond_coeff @bond:ce-s harmonic 324.5 1.6800   # SOUECE3 1
    bond_coeff @bond:ce-ss harmonic 243.6 1.7906   # SOURCE4 10 0.0064
    bond_coeff @bond:ce-sx harmonic 239.7 1.7970   # SOURCE3 5 0.0082
    bond_coeff @bond:ce-sy harmonic 248.9 1.7820   # SOURCE3 5 0.0114
    bond_coeff @bond:c-f harmonic 387.9 1.3250   # SOURCE2 6 0.0147
    bond_coeff @bond:cf-cf harmonic 390.5 1.4510   # SOURCE1 66 0.0060
    bond_coeff @bond:cf-cg harmonic 415.6 1.4310   # SOURCE1 22 0.0000
    bond_coeff @bond:cf-ch harmonic 415.6 1.4310   # SOURCE1 22 0.0000
    bond_coeff @bond:cf-h4 harmonic 334.5 1.0940   # SOURCE4 19 0.0019
    bond_coeff @bond:cf-ha harmonic 341.5 1.0890   # SOURCE3 55 0.0056
    bond_coeff @bond:cf-n1 harmonic 522.2 1.3190   # SOURCE3 3 0.0121
    bond_coeff @bond:cf-n2 harmonic 599.8 1.2790   # SOURCE1 75 same_as_ce-n2
    bond_coeff @bond:cf-n harmonic 362.6 1.4303   # SOURCE4 6 0.0082
    bond_coeff @bond:cf-ne harmonic 575.1 1.2910   # SOURCE4 27 0.0083
    bond_coeff @bond:cf-nf harmonic 381.8 1.4140   # SOURCE3 7 same_as_ce-ne
    bond_coeff @bond:cf-nh harmonic 423.0 1.3822   # SOURCE4 20 0.0102
    bond_coeff @bond:cf-oh harmonic 414.4 1.3408   # SOURCE4 14 0.0084
    bond_coeff @bond:cf-os harmonic 387.2 1.3612   # SOURCE4 6 0.0111
    bond_coeff @bond:cf-p2 harmonic 259.1 1.8140   # SOUECE3 1 same_as_ce-p2
    bond_coeff @bond:cf-pf harmonic 256.5 1.8180   # SOURCE3 8 same_as_ce-pe
    bond_coeff @bond:cf-px harmonic 254.6 1.8210   # SOURCE3 6 same_as_ce-px
    bond_coeff @bond:cf-py harmonic 272.3 1.7940   # SOURCE3 5 same_as_ce-py
    bond_coeff @bond:cf-s harmonic 324.5 1.6800   # SOUECE3 1 same_as_ce-s
    bond_coeff @bond:cf-sx harmonic 239.7 1.7970   # SOURCE3 5 same_as_ce-sx
    bond_coeff @bond:cf-sy harmonic 248.9 1.7820   # SOURCE3 5 same_as_ce-sy
    bond_coeff @bond:cg-cg harmonic 494.2 1.3770   # SOURCE1 42 0.0000
    bond_coeff @bond:cg-ch harmonic 949.5 1.1910   # SOURCE1 80 0.0015
    bond_coeff @bond:cg-n1 harmonic 994.7 1.1430   # SOURCE1 316 0.0018
    bond_coeff @bond:cg-ne harmonic 509.5 1.3262   # SOURCE4 17 0.0009
    bond_coeff @bond:cg-pe harmonic 429.8 1.6210   # SOURCE3 11 0.2008
    bond_coeff @bond:c-h4 harmonic 310.5 1.1123   # SOURCE4 125 0.0023
    bond_coeff @bond:c-h5 harmonic 319.4 1.1053   # SOURCE4 42 0.0028
    bond_coeff @bond:c-ha harmonic 325.1 1.1010   # SOURCE3 53 0.0102
    bond_coeff @bond:ch-ch harmonic 494.2 1.3770   # SOURCE1 42 0.0000
    bond_coeff @bond:ch-n1 harmonic 994.7 1.1430   # SOURCE1 316 0.0018
    bond_coeff @bond:ch-nf harmonic 509.5 1.3262   # SOURCE4 17 same_as_cg-ne
    bond_coeff @bond:ch-pf harmonic 429.8 1.6210   # SOURCE3 11 same_as_cg-pe
    bond_coeff @bond:c-i harmonic 198.9 2.2090   # SOURCE3 4 0.0365
    bond_coeff @bond:cl-cl harmonic 143.3 2.2670   # SOURCE1 2 0.0395
    bond_coeff @bond:cl-cx harmonic 301.8 1.7550   # SOURCE1 64 0.0000
    bond_coeff @bond:cl-cy harmonic 292.0 1.7680   # SOURCE2 2 0.0070
    bond_coeff @bond:cl-f harmonic 298.6 1.6480   # SOURCE2 2 0.0500
    bond_coeff @bond:cl-i harmonic 163.5 2.5500   # SOURCE1 6 0.0893
    bond_coeff @bond:cl-n1 harmonic 431.6 1.6300   # SOUECE3 1
    bond_coeff @bond:cl-n2 harmonic 263.4 1.8190   # SOURCE3 6 0.1020
    bond_coeff @bond:cl-n3 harmonic 290.4 1.7800   # SOURCE4 5 0.0021
    bond_coeff @bond:cl-n harmonic 344.2 1.7140   # SOURCE4 5 0.0005
    bond_coeff @bond:cl-n4 harmonic 311.1 1.7530   # SOURCE3 4 0.0098
    bond_coeff @bond:cl-na harmonic 253.2 1.8350   # SOURCE3 7 0.2083
    bond_coeff @bond:cl-nh harmonic 303.2 1.7630   # SOURCE3 1 0.0000
    bond_coeff @bond:cl-no harmonic 250.1 1.8400   # SOURCE2 1 0.0000
    bond_coeff @bond:cl-o harmonic 557.6 1.4830   # SOURCE3 4 0.0000
    bond_coeff @bond:cl-oh harmonic 309.7 1.6900   # SOURCE2 1 0.0000
    bond_coeff @bond:cl-os harmonic 278.8 1.7300   # SOURCE3 4 0.0000
    bond_coeff @bond:cl-p2 harmonic 217.5 2.0700   # SOURCE3 6 0.0108
    bond_coeff @bond:cl-p3 harmonic 249.4 2.0080   # SOURCE1 111 0.0000
    bond_coeff @bond:cl-p4 harmonic 249.4 2.0080   # SOURCE1 111 0.0000
    bond_coeff @bond:cl-p5 harmonic 249.4 2.0080   # SOURCE1 111 0.0000
    bond_coeff @bond:cl-pb harmonic 255.6 1.9970   # SOURCE1 46 0.0000
    bond_coeff @bond:cl-s harmonic 208.7 2.0720   # SOURCE1 6 0.0000
    bond_coeff @bond:cl-s2 harmonic 172.7 2.1610   # SOURCE2 1 0.0000
    bond_coeff @bond:cl-s4 harmonic 208.7 2.0720   # SOURCE1 6 0.0000
    bond_coeff @bond:cl-s6 harmonic 208.7 2.0720   # SOURCE1 6 0.0000
    bond_coeff @bond:cl-sh harmonic 208.7 2.0720   # SOURCE1 6 0.0000
    bond_coeff @bond:cl-ss harmonic 208.7 2.0720   # SOURCE1 6 0.0000
    bond_coeff @bond:cl-sx harmonic 208.7 2.0720   # SOURCE1 6 0.0000
    bond_coeff @bond:cl-sy harmonic 208.7 2.0720   # SOURCE1 6 0.0000
    bond_coeff @bond:c-n2 harmonic 374.6 1.4200   # SOUECE3 1
    bond_coeff @bond:c-n4 harmonic 255.5 1.5460   # SOURCE3 4 0.0388
    bond_coeff @bond:c-n harmonic 478.2 1.3450   # SOURCE1 1235 0.0215
    bond_coeff @bond:c-nc harmonic 428.3 1.3784   # SOURCE4 70 0.0128
    bond_coeff @bond:c-nd harmonic 391.2 1.4064   # SOURCE4 54 0.0130
    bond_coeff @bond:c-ne harmonic 408.6 1.3929   # SOURCE4 47 0.0136
    bond_coeff @bond:c-nf harmonic 404.8 1.3958   # SOURCE4 5 0.0122
    bond_coeff @bond:c-no harmonic 260.1 1.5400   # SOUECE3 1
    bond_coeff @bond:c-o harmonic 648.0 1.2140   # SOURCE1 3682 0.0165
    bond_coeff @bond:c-oh harmonic 466.4 1.3060   # SOURCE1 271 0.0041
    bond_coeff @bond:c-os harmonic 411.3 1.3430   # SOURCE1 1044 0.0171
    bond_coeff @bond:c-p2 harmonic 210.3 1.9000   # SOUECE3 1
    bond_coeff @bond:c-p3 harmonic 219.0 1.8830   # SOURCE3 6 0.0129
    bond_coeff @bond:c-p4 harmonic 220.6 1.8800   # SOUECE3 1
    bond_coeff @bond:c-p5 harmonic 219.8 1.8815   # SOURCE4 11 0.0078
    bond_coeff @bond:cp-cp harmonic 346.5 1.4900   # SOURCE1 242 0.0010
    bond_coeff @bond:cp-cq harmonic 419.3 1.4282   # SOURCE4 7 0.0034
    bond_coeff @bond:c-pe harmonic 204.9 1.9110   # SOURCE3 3 0.0025
    bond_coeff @bond:c-pf harmonic 204.9 1.9110   # SOURCE3 3 same_as_c-pe
    bond_coeff @bond:cp-na harmonic 420.5 1.3840   # SOURCE4 7 0.0181
    bond_coeff @bond:cp-nb harmonic 486.7 1.3398   # SOURCE4 70 0.0062
    bond_coeff @bond:c-px harmonic 208.3 1.9040   # SOURCE3 1 0.0000
    bond_coeff @bond:c-py harmonic 227.6 1.8670   # SOURCE3 6 0.0199
    bond_coeff @bond:cq-cq harmonic 346.5 1.4900   # SOURCE1 242 0.0010
    bond_coeff @bond:c-s harmonic 328.9 1.6750   # SOURCE1 401 0.0128
    bond_coeff @bond:c-s4 harmonic 200.4 1.8700   # SOUECE3 1
    bond_coeff @bond:c-s6 harmonic 200.4 1.8700   # SOUECE3 1
    bond_coeff @bond:c-sh harmonic 249.6 1.7810   # SOURCE3 6 0.0171
    bond_coeff @bond:c-ss harmonic 261.9 1.7620   # SOURCE1 20 0.0000
    bond_coeff @bond:c-sx harmonic 193.3 1.8850   # SOURCE3 5 0.0088
    bond_coeff @bond:c-sy harmonic 202.8 1.8650   # SOURCE3 5 0.0085
    bond_coeff @bond:cu-cu harmonic 653.7 1.2940   # SOURCE1 10 0.0000
    bond_coeff @bond:cu-cx harmonic 327.3 1.5090   # SOURCE1 20 0.0000
    bond_coeff @bond:cu-ha harmonic 353.0 1.0810   # SOURCE2 3 0.0111
    bond_coeff @bond:cv-cv harmonic 568.1 1.3350   # SOURCE1 25 0.0000
    bond_coeff @bond:cv-cy harmonic 323.5 1.5130   # SOURCE1 50 0.0000
    bond_coeff @bond:cv-ha harmonic 344.3 1.0870   # SOURCE3 2 0.0000
    bond_coeff @bond:cx-cv harmonic 328.3 1.5080   # SOURCE1 2536 as
    bond_coeff @bond:cx-cx harmonic 337.3 1.4990   # SOURCE1 1204 0.0183
    bond_coeff @bond:cx-cy harmonic 321.5 1.5150   # SOURCE3 2 0.0000
    bond_coeff @bond:cx-f harmonic 347.2 1.3580   # SOURCE2 3 0.0050
    bond_coeff @bond:cx-h1 harmonic 344.3 1.0870   # SOURCE3 10 0.0017
    bond_coeff @bond:cx-h2 harmonic 350.1 1.0830   # SOURCE3 2 0.0000
    bond_coeff @bond:cx-hc harmonic 345.8 1.0860   # SOURCE3 44 0.0011
    bond_coeff @bond:cx-hx harmonic 347.2 1.0850   # SOURCE4 5 0.0002
    bond_coeff @bond:cx-n2 harmonic 309.1 1.4820   # SOURCE3 2 0.0000
    bond_coeff @bond:cx-n3 harmonic 318.7 1.4720   # SOURCE1 134 0.0000
    bond_coeff @bond:cx-n harmonic 350.6 1.4411   # SOURCE4 11 0.0092
    bond_coeff @bond:cx-na harmonic 329.0 1.4616   # SOURCE4 11 0.0016
    bond_coeff @bond:cx-nh harmonic 336.7 1.4541   # SOURCE4 83 0.0076
    bond_coeff @bond:cx-oh harmonic 387.4 1.3610   # SOURCE3 3 0.0018
    bond_coeff @bond:cx-os harmonic 320.1 1.4200   # SOURCE3 7 0.0222
    bond_coeff @bond:cx-p3 harmonic 227.6 1.8670   # SOURCE2 1 0.0000
    bond_coeff @bond:cx-s4 harmonic 225.3 1.8220   # SOURCE2 1 0.0000
    bond_coeff @bond:cx-s6 harmonic 283.7 1.7310   # SOURCE2 1 0.0000
    bond_coeff @bond:cx-ss harmonic 229.2 1.8150   # SOURCE2 1 0.0000
    bond_coeff @bond:cy-cy harmonic 286.8 1.5540   # SOURCE1 742 0.0041
    bond_coeff @bond:cy-f harmonic 355.5 1.3509   # SOURCE4 8 0.0047
    bond_coeff @bond:cy-h1 harmonic 330.4 1.0970   # SOURCE3 17 0.0058
    bond_coeff @bond:cy-h2 harmonic 335.8 1.0931   # SOURCE4 80 0.0019
    bond_coeff @bond:cy-hc harmonic 334.5 1.0940   # SOURCE3 63 0.0014
    bond_coeff @bond:cy-n harmonic 321.3 1.4693   # SOURCE4 250 0.0102
    bond_coeff @bond:cy-n3 harmonic 307.2 1.4840   # SOURCE1 21 0.0000
    bond_coeff @bond:cy-oh harmonic 325.2 1.4150   # SOURCE3 2 0.0000
    bond_coeff @bond:cy-os harmonic 308.6 1.4316   # SOURCE4 23 0.0136
    bond_coeff @bond:cy-s6 harmonic 209.6 1.8514   # SOURCE4 9 0.0166
    bond_coeff @bond:cy-ss harmonic 211.3 1.8481   # SOURCE4 78 0.0080
    bond_coeff @bond:cz-nh harmonic 487.8 1.3391   # SOURCE4 32 0.0045
    bond_coeff @bond:f-n1 harmonic 375.7 1.4100   # SOUECE3 1
    bond_coeff @bond:f-n2 harmonic 337.5 1.4440   # SOURCE3 5 0.0377
    bond_coeff @bond:f-n3 harmonic 380.6 1.4060   # SOURCE1 9 0.0000
    bond_coeff @bond:f-n harmonic 391.7 1.3970   # SOURCE3 3 0.0112
    bond_coeff @bond:f-n4 harmonic 526.8 1.3080   # SOURCE3 2 0.0000
    bond_coeff @bond:f-na harmonic 374.5 1.4110   # SOURCE3 7 0.0611
    bond_coeff @bond:f-nh harmonic 357.1 1.4260   # SOURCE3 3 0.0085
    bond_coeff @bond:f-no harmonic 314.4 1.4670   # SOURCE2 1 0.0000
    bond_coeff @bond:f-o harmonic 442.2 1.3300   # SOUECE3 1
    bond_coeff @bond:f-oh harmonic 305.4 1.4440   # SOURCE3 1 0.0000
    bond_coeff @bond:f-os harmonic 326.2 1.4230   # SOURCE3 2 0.0000
    bond_coeff @bond:f-p2 harmonic 287.3 1.5360   # SOURCE3 7 0.2054
    bond_coeff @bond:f-p3 harmonic 254.5 1.5780   # SOURCE2 8 0.0103
    bond_coeff @bond:f-p4 harmonic 246.0 1.5900   # SOUECE3 1
    bond_coeff @bond:f-p5 harmonic 253.8 1.5790   # SOURCE1 72 0.0000
    bond_coeff @bond:f-s2 harmonic 244.4 1.6430   # SOURCE2 1 0.0000
    bond_coeff @bond:f-s harmonic 233.3 1.6600   # SOUECE3 1
    bond_coeff @bond:f-s4 harmonic 282.4 1.5910   # SOURCE2 4 0.0065
    bond_coeff @bond:f-s6 harmonic 312.1 1.5560   # SOURCE2 5 0.0220
    bond_coeff @bond:f-sh harmonic 240.4 1.6490   # SOURCE3 1 0.0000
    bond_coeff @bond:f-ss harmonic 250.5 1.6340   # SOURCE3 3 0.0156
    bond_coeff @bond:hn-n1 harmonic 455.1 0.9860   # SOURCE2 1 0.0000
    bond_coeff @bond:hn-n2 harmonic 375.5 1.0290   # SOURCE3 108 0.0096
    bond_coeff @bond:hn-n3 harmonic 394.1 1.0180   # SOURCE3 157 0.0086
    bond_coeff @bond:hn-n harmonic 410.2 1.0090   # SOURCE3 149 0.0098
    bond_coeff @bond:hn-n4 harmonic 369.0 1.0330   # SOURCE3 264 0.0082
    bond_coeff @bond:hn-na harmonic 406.6 1.0110   # SOURCE3 46 0.0107
    bond_coeff @bond:hn-nh harmonic 401.2 1.0140   # SOURCE3 209 0.0091
    bond_coeff @bond:hn-no harmonic 385.6 1.0230   # SOURCE3 1 0.0000
    bond_coeff @bond:ho-o harmonic 357.9 0.9810   # SOURCE3 1 0.0000
    bond_coeff @bond:ho-oh harmonic 369.6 0.9740   # SOURCE3 367 0.0105
    bond_coeff @bond:hp-p2 harmonic 385.1 1.3360   # SOURCE3 87 0.1706
    bond_coeff @bond:hp-p3 harmonic 303.1 1.4090   # SOURCE3 101 0.0617
    bond_coeff @bond:hp-p4 harmonic 368.7 1.3490   # SOURCE3 17 0.1577
    bond_coeff @bond:hp-p5 harmonic 305.0 1.4070   # SOURCE3 7 0.0062
    bond_coeff @bond:hs-s harmonic 286.4 1.3530   # SOURCE3 1 0.0000
    bond_coeff @bond:hs-s4 harmonic 266.4 1.3750   # SOURCE3 5 0.0004
    bond_coeff @bond:hs-s6 harmonic 280.8 1.3590   # SOURCE3 5 0.0015
    bond_coeff @bond:hs-sh harmonic 302.2 1.3370   # SOURCE3 98 0.0486
    bond_coeff @bond:i-i harmonic 109.2 2.9170   # SOURCE1 1 0.0000
    bond_coeff @bond:i-n1 harmonic 302.1 2.0600   # SOUECE3 1
    bond_coeff @bond:i-n2 harmonic 182.6 2.3040   # SOURCE3 6 0.1186
    bond_coeff @bond:i-n harmonic 278.3 2.0980   # SOURCE3 5 0.0156
    bond_coeff @bond:i-n3 harmonic 231.8 2.1850   # SOURCE3 3 0.0437
    bond_coeff @bond:i-n4 harmonic 246.6 2.1550   # SOURCE3 3 0.0168
    bond_coeff @bond:i-na harmonic 260.5 2.1290   # SOURCE3 8 0.1276
    bond_coeff @bond:i-nh harmonic 249.2 2.1500   # SOURCE3 1 0.0000
    bond_coeff @bond:i-no harmonic 211.0 2.2310   # SOURCE3 1 0.0000
    bond_coeff @bond:i-o harmonic 323.8 1.9800   # SOUECE3 1
    bond_coeff @bond:i-oh harmonic 247.9 2.1010   # SOURCE3 2 0.0000
    bond_coeff @bond:i-os harmonic 233.6 2.1290   # SOURCE3 3 0.0146
    bond_coeff @bond:i-p2 harmonic 108.2 2.6430   # SOURCE3 6 0.0297
    bond_coeff @bond:i-p3 harmonic 123.6 2.5660   # SOURCE3 3 0.0016
    bond_coeff @bond:i-p4 harmonic 183.0 2.3520   # SOURCE3 4 0.2600
    bond_coeff @bond:i-p5 harmonic 117.3 2.5960   # SOURCE3 3 0.0143
    bond_coeff @bond:i-s harmonic 175.1 2.4300   # SOUECE3 1
    bond_coeff @bond:i-s4 harmonic 82.8 2.8700   # SOUECE3 1
    bond_coeff @bond:i-s6 harmonic 82.8 2.8700   # SOURCE3 1 0.0000
    bond_coeff @bond:i-sh harmonic 138.5 2.5600   # SOUECE3 1
    bond_coeff @bond:i-ss harmonic 135.9 2.5710   # SOURCE3 3 0.0065
    bond_coeff @bond:n1-n1 harmonic 1221.7 1.1240   # SOURCE1 19 0.0000
    bond_coeff @bond:n1-n2 harmonic 857.4 1.2160   # SOURCE1 19 0.0000
    bond_coeff @bond:n1-n3 harmonic 535.7 1.3500   # SOUECE3 1
    bond_coeff @bond:n1-n4 harmonic 518.2 1.3600   # SOUECE3 1
    bond_coeff @bond:n1-na harmonic 535.7 1.3500   # SOUECE3 1
    bond_coeff @bond:n1-nc harmonic 857.4 1.2160   # SOURCE1 38 0.0000
    bond_coeff @bond:n1-nd harmonic 857.4 1.2160   # SOURCE1 38 0.0000
    bond_coeff @bond:n1-ne harmonic 751.9 1.2520   # SOURCE2 1 0.0000
    bond_coeff @bond:n1-nf harmonic 751.9 1.2520   # SOURCE2 1 same_as_n1-ne
    bond_coeff @bond:n1-nh harmonic 553.9 1.3400   # SOUECE3 1
    bond_coeff @bond:n1-no harmonic 454.8 1.4000   # SOUECE3 1
    bond_coeff @bond:n1-o harmonic 617.5 1.2770   # SOURCE3 5 0.0438
    bond_coeff @bond:n1-oh harmonic 569.8 1.3000   # SOUECE3 1
    bond_coeff @bond:n1-os harmonic 550.5 1.3100   # SOUECE3 1
    bond_coeff @bond:n1-p2 harmonic 358.8 1.6780   # SOURCE3 2 0.0282
    bond_coeff @bond:n1-p3 harmonic 376.7 1.6600   # SOUECE3 1
    bond_coeff @bond:n1-p4 harmonic 353.0 1.6800   # SOURCE3 0
    bond_coeff @bond:n1-p5 harmonic 482.7 1.5710   # SOURCE1 132 0.0000
    bond_coeff @bond:n1-s2 harmonic 604.3 1.4490   # SOURCE2 2 0.0010
    bond_coeff @bond:n1-s harmonic 328.7 1.6590   # SOURCE3 6 0.0789
    bond_coeff @bond:n1-s4 harmonic 336.8 1.6500   # SOUECE3 1
    bond_coeff @bond:n1-s6 harmonic 670.3 1.4160   # SOURCE2 2 0.0000
    bond_coeff @bond:n1-sh harmonic 376.1 1.6100   # SOUECE3 1
    bond_coeff @bond:n1-ss harmonic 376.1 1.6100   # SOUECE3 1
    bond_coeff @bond:n2-n2 harmonic 702.7 1.2710   # SOURCE3 27 0.0347
    bond_coeff @bond:n2-n3 harmonic 574.8 1.3290   # SOURCE2 1 0.0000
    bond_coeff @bond:n2-n4 harmonic 200.8 1.6790   # SOURCE3 7 0.3138
    bond_coeff @bond:n2-na harmonic 503.9 1.3685   # SOURCE4 18 0.0066
    bond_coeff @bond:n2-nc harmonic 743.9 1.2550   # SOURCE1 13 0.0000
    bond_coeff @bond:n2-nd harmonic 743.9 1.2550   # SOURCE1 13 same_as_n2_nc
    bond_coeff @bond:n2-ne harmonic 685.5 1.2780   # SOURCE3 30 0.0302
    bond_coeff @bond:n2-nf harmonic 685.5 1.2780   # SOURCE3 30 same_as_n2-ne
    bond_coeff @bond:n2-nh harmonic 525.1 1.3560   # SOURCE3 22 0.0300
    bond_coeff @bond:n2-no harmonic 231.9 1.6260   # SOURCE3 4 0.1933
    bond_coeff @bond:n2-o harmonic 789.9 1.2090   # SOURCE3 20 0.0344
    bond_coeff @bond:n2-oh harmonic 416.2 1.3940   # SOURCE1 67 0.0000
    bond_coeff @bond:n2-os harmonic 400.5 1.4060   # SOURCE3 10 0.0147
    bond_coeff @bond:n2-p2 harmonic 438.3 1.6050   # SOURCE3 35 0.0737
    bond_coeff @bond:n2-p3 harmonic 286.5 1.7640   # SOURCE3 7 0.0374
    bond_coeff @bond:n2-p4 harmonic 317.7 1.7240   # SOUECE3 1
    bond_coeff @bond:n2-p5 harmonic 445.8 1.5990   # SOURCE1 7 0.0000
    bond_coeff @bond:n2-pe harmonic 527.9 1.5400   # SOURCE3 20 0.1392
    bond_coeff @bond:n2-pf harmonic 527.9 1.5400   # SOURCE3 20 same_as_n2-pe
    bond_coeff @bond:n2-s2 harmonic 499.0 1.5120   # SOURCE2 1 0.0000
    bond_coeff @bond:n2-s4 harmonic 376.1 1.6100   # SOUECE3 1
    bond_coeff @bond:n2-s harmonic 458.1 1.5410   # SOURCE1 37 0.0000
    bond_coeff @bond:n2-s6 harmonic 444.6 1.5513   # SOURCE4 5 0.0011
    bond_coeff @bond:n2-sh harmonic 266.6 1.7380   # SOURCE3 5 0.0511
    bond_coeff @bond:n2-ss harmonic 331.4 1.6560   # SOURCE1 36 0.0000
    bond_coeff @bond:n3-n3 harmonic 383.6 1.4540   # SOURCE1 44 0.0000
    bond_coeff @bond:n3-n4 harmonic 434.9 1.4140   # SOURCE1 13 0.0000
    bond_coeff @bond:n3-na harmonic 426.7 1.4200   # SOURCE1 68 0.0000
    bond_coeff @bond:n3-nh harmonic 426.7 1.4200   # SOURCE1 68 0.0000
    bond_coeff @bond:n3-no harmonic 394.5 1.4450   # SOURCE3 3 0.0208
    bond_coeff @bond:n3-o harmonic 564.0 1.3030   # SOURCE3 4 0.1217
    bond_coeff @bond:n3-oh harmonic 413.5 1.3960   # SOURCE1 28 0.0000
    bond_coeff @bond:n3-os harmonic 359.6 1.4400   # SOURCE1 34 0.0315
    bond_coeff @bond:n3-p2 harmonic 366.6 1.6700   # SOUECE3 1
    bond_coeff @bond:n3-p3 harmonic 312.8 1.7300   # SOURCE1 40 0.0000
    bond_coeff @bond:n3-p4 harmonic 341.1 1.6970   # SOURCE1 88 0.0000
    bond_coeff @bond:n3-p5 harmonic 373.6 1.6630   # SOURCE1 501 0.0086
    bond_coeff @bond:n3-py harmonic 338.1 1.7003   # SOURCE4 6 0.0044
    bond_coeff @bond:n3-s harmonic 232.3 1.7920   # SOURCE3 3 0.0178
    bond_coeff @bond:n3-s4 harmonic 251.3 1.7610   # SOURCE3 6 0.0766
    bond_coeff @bond:n3-s6 harmonic 353.8 1.6320   # SOURCE1 99 0.0136
    bond_coeff @bond:n3-sh harmonic 265.9 1.7390   # SOURCE3 3 0.0154
    bond_coeff @bond:n3-ss harmonic 277.9 1.7220   # SOURCE3 5 0.0207
    bond_coeff @bond:n3-sy harmonic 297.3 1.6964   # SOURCE4 226 0.0081
    bond_coeff @bond:n4-n4 harmonic 349.9 1.4840   # SOURCE3 4 0.0089
    bond_coeff @bond:n4-na harmonic 407.0 1.4350   # SOURCE3 9 0.0390
    bond_coeff @bond:n4-nh harmonic 369.7 1.4660   # SOURCE3 5 0.0108
    bond_coeff @bond:n4-no harmonic 354.2 1.4800   # SOUECE3 1
    bond_coeff @bond:n4-o harmonic 463.6 1.3610   # SOURCE3 3 0.0041
    bond_coeff @bond:n4-oh harmonic 408.2 1.4000   # SOURCE3 3 0.0115
    bond_coeff @bond:n4-os harmonic 381.8 1.4210   # SOURCE3 5 0.0249
    bond_coeff @bond:n4-p2 harmonic 185.9 1.9420   # SOURCE3 10 0.0643
    bond_coeff @bond:n4-p3 harmonic 215.1 1.8800   # SOURCE3 5 0.0146
    bond_coeff @bond:n4-p4 harmonic 187.6 1.9380   # SOURCE3 1 0.0000
    bond_coeff @bond:n4-p5 harmonic 242.9 1.8300   # SOURCE3 5 0.0087
    bond_coeff @bond:n4-py harmonic 204.2 1.9020   # SOURCE3 4 0.0000
    bond_coeff @bond:n4-s harmonic 210.3 1.8320   # SOURCE3 3 0.0004
    bond_coeff @bond:n4-s4 harmonic 151.0 1.9720   # SOURCE3 3 0.0198
    bond_coeff @bond:n4-s6 harmonic 172.7 1.9140   # SOURCE3 5 0.0432
    bond_coeff @bond:n4-sh harmonic 221.5 1.8110   # SOURCE3 3 0.0027
    bond_coeff @bond:n4-ss harmonic 221.0 1.8120   # SOURCE3 5 0.0064
    bond_coeff @bond:na-na harmonic 453.3 1.4010   # SOURCE1 40 0.0000
    bond_coeff @bond:na-nb harmonic 546.5 1.3440   # SOURCE4 5 0.0070
    bond_coeff @bond:na-nc harmonic 535.7 1.3500   # SOURCE3 152 0.0180
    bond_coeff @bond:na-nd harmonic 535.7 1.3500   # SOURCE3 152 0.0180
    bond_coeff @bond:na-nh harmonic 453.3 1.4010   # SOURCE1 40 0.0000
    bond_coeff @bond:na-no harmonic 401.9 1.4390   # SOURCE3 9 0.0289
    bond_coeff @bond:na-o harmonic 644.3 1.2650   # SOURCE1 25 0.0347
    bond_coeff @bond:na-oh harmonic 412.2 1.3970   # SOURCE3 9 0.0217
    bond_coeff @bond:na-os harmonic 355.2 1.4440   # SOURCE3 45 0.0423
    bond_coeff @bond:na-p2 harmonic 297.8 1.7490   # SOURCE3 11 0.0192
    bond_coeff @bond:na-p3 harmonic 288.0 1.7620   # SOURCE3 8 0.0113
    bond_coeff @bond:na-p4 harmonic 492.4 1.5640   # SOURCE3 5 0.2161
    bond_coeff @bond:na-p5 harmonic 325.3 1.7150   # SOURCE3 11 0.0238
    bond_coeff @bond:na-pc harmonic 311.1 1.7320   # SOURCE3 81 0.0207
    bond_coeff @bond:na-pd harmonic 311.1 1.7320   # SOURCE3 81 same_as_na-pc
    bond_coeff @bond:na-py harmonic 327.8 1.7120   # SOURCE3 2 0.0000
    bond_coeff @bond:na-s harmonic 248.7 1.7650   # SOURCE3 8 0.0095
    bond_coeff @bond:na-s4 harmonic 231.7 1.7930   # SOURCE3 10 0.0421
    bond_coeff @bond:na-s6 harmonic 274.3 1.7270   # SOURCE3 10 0.0201
    bond_coeff @bond:na-sh harmonic 278.6 1.7210   # SOURCE3 9 0.0113
    bond_coeff @bond:na-ss harmonic 270.1 1.7330   # SOURCE3 38 0.0412
    bond_coeff @bond:na-sy harmonic 274.3 1.7270   # SOURCE3 1
    bond_coeff @bond:nb-nb harmonic 550.2 1.3420   # SOURCE1 15 0.0314
    bond_coeff @bond:nb-pb harmonic 461.1 1.5870   # SOURCE1 162 0.0091
    bond_coeff @bond:nc-nc harmonic 486.8 1.3790   # SOURCE3 9 0.0164
    bond_coeff @bond:nc-nd harmonic 602.9 1.3150   # SOURCE3 9 0.0221
    bond_coeff @bond:nc-os harmonic 414.9 1.3950   # SOURCE1 46 0.0188
    bond_coeff @bond:nc-ss harmonic 433.5 1.5600   # SOURCE1 74 0.0000
    bond_coeff @bond:nc-sy harmonic 439.8 1.5550   # SOURCE3 2
    bond_coeff @bond:nd-nd harmonic 486.8 1.3790   # SOURCE3 9 0.0164
    bond_coeff @bond:nd-os harmonic 414.9 1.3950   # SOURCE1 46 0.0188
    bond_coeff @bond:nd-ss harmonic 433.5 1.5600   # SOURCE1 74 0.0000
    bond_coeff @bond:nd-sy harmonic 439.8 1.5550   # SOURCE3 2
    bond_coeff @bond:ne-ne harmonic 355.3 1.4790   # SOURCE3 19 0.1705
    bond_coeff @bond:ne-nf harmonic 721.6 1.2635   # SOURCE4 25 0.0034
    bond_coeff @bond:ne-o harmonic 736.4 1.2280   # SOURCE3 40 0.0255
    bond_coeff @bond:ne-p2 harmonic 493.9 1.5630   # SOURCE3 14 0.1325
    bond_coeff @bond:ne-pe harmonic 327.8 1.7120   # SOURCE3 28 0.1076
    bond_coeff @bond:ne-px harmonic 336.6 1.7020   # SOURCE3 11 0.0883
    bond_coeff @bond:ne-py harmonic 425.4 1.6157   # SOURCE4 10 0.0094
    bond_coeff @bond:ne-s harmonic 463.5 1.5370   # SOURCE3 22 0.1708
    bond_coeff @bond:ne-sx harmonic 207.3 1.8380   # SOURCE3 7 0.1060
    bond_coeff @bond:ne-sy harmonic 257.1 1.7520   # SOURCE3 7 0.0814
    bond_coeff @bond:nf-nf harmonic 355.3 1.4790   # SOURCE3 19 same_as_ne-ne
    bond_coeff @bond:nf-o harmonic 736.4 1.2280   # SOURCE3 40 same_as_ne-o
    bond_coeff @bond:nf-p2 harmonic 493.9 1.5630   # SOURCE3 14 same_as_ne-p2
    bond_coeff @bond:nf-pf harmonic 327.8 1.7120   # SOURCE3 28 same_as_ne-pe
    bond_coeff @bond:nf-px harmonic 336.6 1.7020   # SOURCE3 11 same_as_ne-px
    bond_coeff @bond:nf-py harmonic 425.4 1.6157   # SOURCE4 10 same_as_ne-py
    bond_coeff @bond:nf-s harmonic 463.5 1.5370   # SOURCE3 22 same_as_ne-s
    bond_coeff @bond:nf-sx harmonic 207.3 1.8380   # SOURCE3 7 same_as_ne-sx
    bond_coeff @bond:nf-sy harmonic 257.1 1.7520   # SOURCE3 7 same_as_ne-sy
    bond_coeff @bond:nh-nh harmonic 453.3 1.4010   # SOURCE1 40 0.0000
    bond_coeff @bond:nh-no harmonic 477.4 1.3850   # SOURCE4 7 0.0036
    bond_coeff @bond:nh-o harmonic 596.2 1.2870   # SOURCE3 3 0.0450
    bond_coeff @bond:nh-oh harmonic 389.9 1.4144   # SOURCE4 19 0.0064
    bond_coeff @bond:nh-os harmonic 387.8 1.4161   # SOURCE4 6 0.0039
    bond_coeff @bond:nh-p2 harmonic 357.8 1.6790   # SOURCE3 17 0.0872
    bond_coeff @bond:nh-p3 harmonic 312.8 1.7300   # SOURCE3 3 0.0016
    bond_coeff @bond:nh-p4 harmonic 333.1 1.7060   # SOURCE3 3 0.0008
    bond_coeff @bond:nh-p5 harmonic 365.6 1.6710   # SOURCE3 3 0.0007
    bond_coeff @bond:nh-s harmonic 237.0 1.7840   # SOURCE3 3 0.0076
    bond_coeff @bond:nh-s4 harmonic 259.1 1.7490   # SOURCE3 3 0.0203
    bond_coeff @bond:nh-s6 harmonic 297.2 1.6965   # SOURCE4 33 0.0062
    bond_coeff @bond:nh-sh harmonic 288.3 1.7080   # SOURCE3 1 0.0000
    bond_coeff @bond:nh-ss harmonic 288.3 1.7080   # SOURCE1 52 0.0015
    bond_coeff @bond:nh-sy harmonic 283.5 1.7144   # SOURCE4 80 0.0066
    bond_coeff @bond:n-n1 harmonic 553.9 1.3400   # SOUECE3 1
    bond_coeff @bond:n-n2 harmonic 499.7 1.3710   # SOURCE3 9 0.0200
    bond_coeff @bond:n-n3 harmonic 443.3 1.4080   # SOURCE3 5 0.0087
    bond_coeff @bond:n-n4 harmonic 410.8 1.4320   # SOURCE3 5 0.0098
    bond_coeff @bond:n-n harmonic 469.7 1.3900   # SOURCE3 5 0.0038
    bond_coeff @bond:n-na harmonic 486.8 1.3790   # SOURCE3 11 0.0071
    bond_coeff @bond:n-nc harmonic 524.9 1.3561   # SOURCE4 63 0.0104
    bond_coeff @bond:n-nd harmonic 517.7 1.3603   # SOURCE4 13 0.0122
    bond_coeff @bond:n-nh harmonic 451.2 1.4025   # SOURCE4 20 0.0074
    bond_coeff @bond:n-no harmonic 381.2 1.4560   # SOURCE3 4 0.0327
    bond_coeff @bond:n-o harmonic 646.6 1.2640   # SOURCE3 9 0.0381
    bond_coeff @bond:n-oh harmonic 395.4 1.4100   # SOURCE3 6 0.0106
    bond_coeff @bond:no-no harmonic 138.3 1.8240   # SOURCE3 1 0.0000
    bond_coeff @bond:no-o harmonic 761.2 1.2190   # SOURCE1 1838 0.0049
    bond_coeff @bond:no-oh harmonic 400.5 1.4060   # SOURCE2 1 0.0000
    bond_coeff @bond:no-os harmonic 379.5 1.4229   # SOURCE4 53 0.0076
    bond_coeff @bond:no-os harmonic 379.5 1.4229   # SOURCE4 53 0.0076
    bond_coeff @bond:no-p2 harmonic 306.3 1.7380   # SOURCE3 10 0.2231
    bond_coeff @bond:no-p3 harmonic 234.7 1.8440   # SOURCE3 3 0.0005
    bond_coeff @bond:no-p4 harmonic 220.4 1.8700   # SOURCE3 3 0.0006
    bond_coeff @bond:no-p5 harmonic 240.5 1.8340   # SOURCE3 4 0.0020
    bond_coeff @bond:no-s harmonic 263.8 1.7420   # SOURCE3 2 0.0000
    bond_coeff @bond:n-os harmonic 395.0 1.4103   # SOURCE4 30 0.0112
    bond_coeff @bond:no-s4 harmonic 143.0 1.9960   # SOURCE3 3 0.0313
    bond_coeff @bond:no-s6 harmonic 149.6 1.9760   # SOURCE3 3 0.0520
    bond_coeff @bond:no-sh harmonic 225.4 1.8040   # SOURCE3 1 0.0000
    bond_coeff @bond:no-ss harmonic 212.4 1.8280   # SOURCE3 3 0.0244
    bond_coeff @bond:n-p2 harmonic 310.3 1.7330   # SOURCE3 8 0.0217
    bond_coeff @bond:n-p3 harmonic 282.2 1.7700   # SOURCE3 9 0.0118
    bond_coeff @bond:n-p4 harmonic 309.5 1.7340   # SOURCE3 1 0.0000
    bond_coeff @bond:n-p5 harmonic 331.3 1.7080   # SOURCE4 6 0.0022
    bond_coeff @bond:n-pc harmonic 304.8 1.7400   # SOURCE3 3 0.0010
    bond_coeff @bond:n-pd harmonic 304.8 1.7400   # SOURCE3 3 same_as_n-pc
    bond_coeff @bond:n-s harmonic 247.5 1.7670   # SOURCE3 3 0.0011
    bond_coeff @bond:n-s4 harmonic 238.2 1.7820   # SOURCE3 4 0.0214
    bond_coeff @bond:n-s6 harmonic 283.0 1.7151   # SOURCE4 13 0.0138
    bond_coeff @bond:n-sh harmonic 273.6 1.7280   # SOURCE3 4 0.0128
    bond_coeff @bond:n-ss harmonic 281.6 1.7170   # SOURCE3 7 0.0133
    bond_coeff @bond:n-sy harmonic 282.9 1.7152   # SOURCE4 51 0.0079
    bond_coeff @bond:oh-oh harmonic 340.5 1.4690   # SOURCE3 1 0.0000
    bond_coeff @bond:oh-os harmonic 355.8 1.4547   # SOURCE4 19 0.0050
    bond_coeff @bond:oh-p2 harmonic 316.8 1.6300   # SOURCE3 8 0.0916
    bond_coeff @bond:oh-p3 harmonic 278.8 1.6770   # SOURCE3 3 0.0148
    bond_coeff @bond:oh-p4 harmonic 307.4 1.6410   # SOURCE3 4 0.0092
    bond_coeff @bond:oh-p5 harmonic 321.2 1.6250   # SOURCE3 92 0.0451
    bond_coeff @bond:oh-py harmonic 332.1 1.6130   # SOURCE3 79 0.0138
    bond_coeff @bond:oh-s harmonic 190.0 1.8120   # SOURCE3 2 0.0000
    bond_coeff @bond:oh-s4 harmonic 256.3 1.6954   # SOURCE4 10 0.0091
    bond_coeff @bond:oh-s6 harmonic 344.1 1.5880   # SOURCE3 13 0.0091
    bond_coeff @bond:oh-sh harmonic 258.6 1.6920   # SOURCE3 2 0.0003
    bond_coeff @bond:oh-ss harmonic 265.6 1.6820   # SOURCE3 4 0.0131
    bond_coeff @bond:oh-sy harmonic 290.4 1.6490   # SOURCE4 33 0.0044
    bond_coeff @bond:o-o harmonic 384.3 1.4300   # SOURCE3 2 0.0500
    bond_coeff @bond:o-oh harmonic 294.6 1.5170   # SOURCE3 2 0.0000
    bond_coeff @bond:o-os harmonic 306.3 1.5040   # SOURCE3 3 0.0117
    bond_coeff @bond:o-p2 harmonic 449.7 1.5080   # SOURCE3 17 0.0306
    bond_coeff @bond:o-p3 harmonic 440.4 1.5150   # SOURCE3 35 0.0297
    bond_coeff @bond:o-p4 harmonic 456.4 1.5030   # SOURCE3 42 0.0749
    bond_coeff @bond:o-p5 harmonic 487.7 1.4810   # SOURCE1 263 0.0205
    bond_coeff @bond:o-pe harmonic 432.6 1.5210   # SOURCE3 20 0.0171
    bond_coeff @bond:o-pf harmonic 432.6 1.5210   # SOURCE3 20 same_as_o-pe
    bond_coeff @bond:o-px harmonic 459.2 1.5010   # SOURCE3 37 0.0160
    bond_coeff @bond:o-py harmonic 477.5 1.4880   # SOURCE3 63 0.0091
    bond_coeff @bond:o-s harmonic 194.8 1.8020   # SOURCE3 2 0.0000
    bond_coeff @bond:o-s2 harmonic 333.6 1.5990   # SOURCE3 3 0.0707
    bond_coeff @bond:o-s4 harmonic 448.7 1.4970   # SOURCE1 90 0.0000
    bond_coeff @bond:o-s6 harmonic 541.1 1.4360   # SOURCE1 1038 0.0128
    bond_coeff @bond:o-sh harmonic 328.0 1.6050   # SOURCE3 2 0.0000
    bond_coeff @bond:os-os harmonic 343.6 1.4660   # SOURCE1 20 0.0067
    bond_coeff @bond:os-p2 harmonic 371.9 1.5730   # SOURCE1 16 0.0000
    bond_coeff @bond:os-p3 harmonic 272.2 1.6860   # SOURCE3 6 0.0201
    bond_coeff @bond:os-p4 harmonic 311.6 1.6360   # SOURCE3 4 0.0057
    bond_coeff @bond:os-p5 harmonic 342.5 1.6020   # SOURCE1 248 0.0400
    bond_coeff @bond:os-py harmonic 328.5 1.6170   # SOURCE3 17 0.0139
    bond_coeff @bond:os-s harmonic 195.8 1.8000   # SOURCE3 3 0.0052
    bond_coeff @bond:o-ss harmonic 398.5 1.5370   # SOURCE3 3 0.0501
    bond_coeff @bond:os-s4 harmonic 253.9 1.6990   # SOURCE3 8 0.0223
    bond_coeff @bond:os-s6 harmonic 355.0 1.5770   # SOURCE1 75 0.0030
    bond_coeff @bond:os-sh harmonic 273.6 1.6710   # SOURCE3 3 0.0106
    bond_coeff @bond:os-ss harmonic 250.5 1.7040   # SOURCE3 9 0.0277
    bond_coeff @bond:os-sy harmonic 253.9 1.6990   # SOURCE3 1 0.0000
    bond_coeff @bond:o-sx harmonic 434.2 1.5080   # SOURCE3 40 0.0130
    bond_coeff @bond:o-sy harmonic 493.0 1.4660   # SOURCE3 92 0.0114
    bond_coeff @bond:p2-p2 harmonic 490.3 1.7860   # SOURCE3 25 0.3488
    bond_coeff @bond:p2-p3 harmonic 211.9 2.1520   # SOURCE3 9 0.1777
    bond_coeff @bond:p2-p4 harmonic 200.4 2.1790   # SOUECE3 1
    bond_coeff @bond:p2-p5 harmonic 199.9 2.1800   # SOUECE3 1
    bond_coeff @bond:p2-pe harmonic 401.6 1.8670   # SOURCE3 16 0.3571
    bond_coeff @bond:p2-pf harmonic 401.6 1.8670   # SOURCE3 16 same_as_p2-pe
    bond_coeff @bond:p2-s harmonic 361.6 1.7720   # SOURCE3 26 0.3014
    bond_coeff @bond:p2-s4 harmonic 139.4 2.1900   # SOUECE3 1
    bond_coeff @bond:p2-s6 harmonic 142.3 2.1800   # SOUECE3 1
    bond_coeff @bond:p2-sh harmonic 224.0 1.9710   # SOURCE3 10 0.2829
    bond_coeff @bond:p2-ss harmonic 226.6 1.9660   # SOURCE3 10 0.2739
    bond_coeff @bond:p3-p3 harmonic 186.5 2.2140   # SOURCE1 41 0.0000
    bond_coeff @bond:p3-p4 harmonic 185.7 2.2160   # SOURCE3 3 0.0011
    bond_coeff @bond:p3-p5 harmonic 186.9 2.2130   # SOURCE3 9 0.0265
    bond_coeff @bond:p3-s harmonic 179.7 2.0700   # SOUECE3 1
    bond_coeff @bond:p3-s4 harmonic 173.2 2.0870   # SOURCE3 8 0.2235
    bond_coeff @bond:p3-s6 harmonic 176.9 2.0770   # SOURCE3 11 0.1420
    bond_coeff @bond:p3-sh harmonic 157.3 2.1320   # SOURCE3 3 0.0078
    bond_coeff @bond:p3-ss harmonic 161.0 2.1210   # SOURCE3 3 0.0059
    bond_coeff @bond:p4-p4 harmonic 273.1 2.0340   # SOURCE1 1 0.0000
    bond_coeff @bond:p4-p5 harmonic 178.0 2.2370   # SOUECE3 1
    bond_coeff @bond:p4-s harmonic 152.7 2.1460   # SOURCE3 5 0.0601
    bond_coeff @bond:p4-s4 harmonic 123.2 2.2510   # SOUECE3 1
    bond_coeff @bond:p4-s6 harmonic 118.9 2.2690   # SOUECE3 1
    bond_coeff @bond:p4-sh harmonic 163.1 2.1150   # SOURCE3 4 0.0008
    bond_coeff @bond:p4-ss harmonic 167.0 2.1040   # SOURCE3 4 0.0044
    bond_coeff @bond:p5-p5 harmonic 261.4 2.0540   # SOURCE1 1 0.0000
    bond_coeff @bond:p5-s harmonic 250.8 1.9220   # SOURCE1 89 0.0140
    bond_coeff @bond:p5-s4 harmonic 191.9 2.0400   # SOUECE3 1
    bond_coeff @bond:p5-s6 harmonic 191.9 2.0400   # SOUECE3 1
    bond_coeff @bond:p5-sh harmonic 175.0 2.0820   # SOURCE3 3 0.0035
    bond_coeff @bond:p5-ss harmonic 163.1 2.1149   # SOURCE4 24 0.0106
    bond_coeff @bond:pe-pe harmonic 240.7 2.0920   # SOURCE3 7 0.1369
    bond_coeff @bond:pe-pf harmonic 260.8 2.0550   # SOURCE3 1 0.0000
    bond_coeff @bond:pe-px harmonic 291.4 2.0050   # SOURCE3 12 0.2609
    bond_coeff @bond:pe-py harmonic 278.6 2.0250   # SOURCE3 12 0.2617
    bond_coeff @bond:pe-s harmonic 374.7 1.7580   # SOURCE3 31 0.3197
    bond_coeff @bond:pe-sx harmonic 145.9 2.1680   # SOURCE3 9 0.1743
    bond_coeff @bond:pe-sy harmonic 133.0 2.2130   # SOURCE3 6 0.0127
    bond_coeff @bond:pf-pf harmonic 240.7 2.0920   # SOURCE3 7 same_as_pe-pe
    bond_coeff @bond:pf-px harmonic 291.4 2.0050   # SOURCE3 12 same_as_pe-px
    bond_coeff @bond:pf-py harmonic 278.6 2.0250   # SOURCE3 12 same_as_pe-py
    bond_coeff @bond:pf-s harmonic 374.7 1.7580   # SOURCE3 31 same_as_pe-s
    bond_coeff @bond:pf-sx harmonic 145.9 2.1680   # SOURCE3 9 same_as_pe-sx
    bond_coeff @bond:pf-sy harmonic 133.0 2.2130   # SOURCE3 6 same_as_pe-sy
    bond_coeff @bond:px-py harmonic 192.3 2.1990   # SOURCE3 5 0.0238
    bond_coeff @bond:px-sx harmonic 125.4 2.2420   # SOURCE3 3 0.0119
    bond_coeff @bond:px-sy harmonic 123.7 2.2490   # SOURCE3 3 0.0272
    bond_coeff @bond:py-py harmonic 197.5 2.1860   # SOURCE3 8 0.0132
    bond_coeff @bond:py-sx harmonic 121.2 2.2590   # SOURCE3 7 0.0603
    bond_coeff @bond:py-sy harmonic 141.7 2.1820   # SOURCE3 5 0.0047
    bond_coeff @bond:s4-s4 harmonic 151.5 2.0800   # SOUECE3 1
    bond_coeff @bond:s4-s6 harmonic 151.5 2.0800   # SOUECE3 1
    bond_coeff @bond:s4-sh harmonic 125.7 2.1680   # SOURCE3 3 0.0227
    bond_coeff @bond:s4-ss harmonic 126.2 2.1660   # SOURCE3 5 0.0247
    bond_coeff @bond:s6-s6 harmonic 151.5 2.0800   # SOUECE3 1
    bond_coeff @bond:s6-sh harmonic 142.6 2.1080   # SOURCE3 3 0.0144
    bond_coeff @bond:s6-ss harmonic 139.6 2.1180   # SOURCE3 5 0.0209
    bond_coeff @bond:sh-sh harmonic 158.9 2.0580   # SOURCE2 1 0.0000
    bond_coeff @bond:sh-ss harmonic 155.8 2.0670   # SOURCE3 3 0.0029
    bond_coeff @bond:s-s harmonic 169.0 2.0300   # SOURCE3 1 0.0000
    bond_coeff @bond:s-s2 harmonic 229.2 1.8970   # SOURCE1 5 0.0000
    bond_coeff @bond:s-s4 harmonic 152.8 2.0760   # SOURCE3 4 0.0345
    bond_coeff @bond:s-s6 harmonic 166.0 2.0380   # SOURCE3 3 0.0311
    bond_coeff @bond:s-sh harmonic 142.0 2.1100   # SOURCE3 2 0.0000
    bond_coeff @bond:s-ss harmonic 148.5 2.0890   # SOURCE3 1 0.0000
    bond_coeff @bond:ss-ss harmonic 161.7 2.0500   # SOURCE1 225 0.0015
    bond_coeff @bond:sx-sx harmonic 80.9 2.3910   # SOURCE3 3 0.0185
    bond_coeff @bond:sx-sy harmonic 105.3 2.2550   # SOURCE3 5 0.0737
    bond_coeff @bond:sy-sy harmonic 106.4 2.2500   # SOURCE3 3 0.0289
  } # (end of bond_coeffs)

  write_once("Data Bonds By Type") {
    @bond:ow-hw @atom:ow @atom:hw
    @bond:br-br @atom:br @atom:br
    @bond:br-c1 @atom:br @atom:c1
    @bond:br-c2 @atom:br @atom:c2
    @bond:br-c @atom:br @atom:c
    @bond:br-c3 @atom:br @atom:c3
    @bond:br-ca @atom:br @atom:ca
    @bond:br-cc @atom:br @atom:cc
    @bond:br-cx @atom:br @atom:cx
    @bond:br-i @atom:br @atom:i
    @bond:br-n1 @atom:br @atom:n1
    @bond:br-n2 @atom:br @atom:n2
    @bond:br-n @atom:br @atom:n
    @bond:br-n3 @atom:br @atom:n3
    @bond:br-n4 @atom:br @atom:n4
    @bond:br-na @atom:br @atom:na
    @bond:br-nh @atom:br @atom:nh
    @bond:br-no @atom:br @atom:no
    @bond:br-o @atom:br @atom:o
    @bond:br-oh @atom:br @atom:oh
    @bond:br-os @atom:br @atom:os
    @bond:br-p2 @atom:br @atom:p2
    @bond:br-p3 @atom:br @atom:p3
    @bond:br-p4 @atom:br @atom:p4
    @bond:br-p5 @atom:br @atom:p5
    @bond:br-s @atom:br @atom:s
    @bond:br-s4 @atom:br @atom:s4
    @bond:br-s6 @atom:br @atom:s6
    @bond:br-sh @atom:br @atom:sh
    @bond:br-ss @atom:br @atom:ss
    @bond:c1-c1 @atom:c1 @atom:c1
    @bond:c1-c2 @atom:c1 @atom:c2
    @bond:c1-c3 @atom:c1 @atom:c3
    @bond:c1-ca @atom:c1 @atom:ca
    @bond:c1-ce @atom:c1 @atom:ce
    @bond:c1-cg @atom:c1 @atom:cg
    @bond:c1-ch @atom:c1 @atom:ch
    @bond:c1-cl @atom:c1 @atom:cl
    @bond:c1-cx @atom:c1 @atom:cx
    @bond:c1-f @atom:c1 @atom:f
    @bond:c1-ha @atom:c1 @atom:ha
    @bond:c1-hc @atom:c1 @atom:hc
    @bond:c1-i @atom:c1 @atom:i
    @bond:c1-n1 @atom:c1 @atom:n1
    @bond:c1-n2 @atom:c1 @atom:n2
    @bond:c1-n3 @atom:c1 @atom:n3
    @bond:c1-n4 @atom:c1 @atom:n4
    @bond:c1-n @atom:c1 @atom:n
    @bond:c1-na @atom:c1 @atom:na
    @bond:c1-ne @atom:c1 @atom:ne
    @bond:c1-nf @atom:c1 @atom:nf
    @bond:c1-nh @atom:c1 @atom:nh
    @bond:c1-no @atom:c1 @atom:no
    @bond:c1-o @atom:c1 @atom:o
    @bond:c1-oh @atom:c1 @atom:oh
    @bond:c1-os @atom:c1 @atom:os
    @bond:c1-p2 @atom:c1 @atom:p2
    @bond:c1-p3 @atom:c1 @atom:p3
    @bond:c1-p4 @atom:c1 @atom:p4
    @bond:c1-p5 @atom:c1 @atom:p5
    @bond:c1-s2 @atom:c1 @atom:s2
    @bond:c1-s @atom:c1 @atom:s
    @bond:c1-s4 @atom:c1 @atom:s4
    @bond:c1-s6 @atom:c1 @atom:s6
    @bond:c1-sh @atom:c1 @atom:sh
    @bond:c1-ss @atom:c1 @atom:ss
    @bond:c2-c2 @atom:c2 @atom:c2
    @bond:c2-c3 @atom:c2 @atom:c3
    @bond:c2-ca @atom:c2 @atom:ca
    @bond:c2-cc @atom:c2 @atom:cc
    @bond:c2-cd @atom:c2 @atom:cd
    @bond:c2-ce @atom:c2 @atom:ce
    @bond:c2-cf @atom:c2 @atom:cf
    @bond:c2-cl @atom:c2 @atom:cl
    @bond:c2-cu @atom:c2 @atom:cu
    @bond:c2-cx @atom:c2 @atom:cx
    @bond:c2-cy @atom:c2 @atom:cy
    @bond:c2-f @atom:c2 @atom:f
    @bond:c2-h4 @atom:c2 @atom:h4
    @bond:c2-h5 @atom:c2 @atom:h5
    @bond:c2-ha @atom:c2 @atom:ha
    @bond:c2-hc @atom:c2 @atom:hc
    @bond:c2-hx @atom:c2 @atom:hx
    @bond:c2-i @atom:c2 @atom:i
    @bond:c2-n1 @atom:c2 @atom:n1
    @bond:c2-n2 @atom:c2 @atom:n2
    @bond:c2-n3 @atom:c2 @atom:n3
    @bond:c2-n @atom:c2 @atom:n
    @bond:c2-n4 @atom:c2 @atom:n4
    @bond:c2-na @atom:c2 @atom:na
    @bond:c2-nc @atom:c2 @atom:nc
    @bond:c2-nd @atom:c2 @atom:nd
    @bond:c2-ne @atom:c2 @atom:ne
    @bond:c2-nf @atom:c2 @atom:nf
    @bond:c2-nh @atom:c2 @atom:nh
    @bond:c2-no @atom:c2 @atom:no
    @bond:c2-o @atom:c2 @atom:o
    @bond:c2-oh @atom:c2 @atom:oh
    @bond:c2-os @atom:c2 @atom:os
    @bond:c2-p2 @atom:c2 @atom:p2
    @bond:c2-p3 @atom:c2 @atom:p3
    @bond:c2-p4 @atom:c2 @atom:p4
    @bond:c2-p5 @atom:c2 @atom:p5
    @bond:c2-pe @atom:c2 @atom:pe
    @bond:c2-pf @atom:c2 @atom:pf
    @bond:c2-s2 @atom:c2 @atom:s2
    @bond:c2-s @atom:c2 @atom:s
    @bond:c2-s4 @atom:c2 @atom:s4
    @bond:c2-s6 @atom:c2 @atom:s6
    @bond:c2-sh @atom:c2 @atom:sh
    @bond:c2-ss @atom:c2 @atom:ss
    @bond:c3-c3 @atom:c3 @atom:c3
    @bond:c3-ca @atom:c3 @atom:ca
    @bond:c3-cc @atom:c3 @atom:cc
    @bond:c3-cd @atom:c3 @atom:cd
    @bond:c3-ce @atom:c3 @atom:ce
    @bond:c3-cf @atom:c3 @atom:cf
    @bond:c3-cl @atom:c3 @atom:cl
    @bond:c3-cu @atom:c3 @atom:cu
    @bond:c3-cv @atom:c3 @atom:cv
    @bond:c3-cx @atom:c3 @atom:cx
    @bond:c3-cy @atom:c3 @atom:cy
    @bond:c3-f @atom:c3 @atom:f
    @bond:c3-h1 @atom:c3 @atom:h1
    @bond:c3-h2 @atom:c3 @atom:h2
    @bond:c3-h3 @atom:c3 @atom:h3
    @bond:c3-hc @atom:c3 @atom:hc
    @bond:c3-hx @atom:c3 @atom:hx
    @bond:c3-i @atom:c3 @atom:i
    @bond:c3-n1 @atom:c3 @atom:n1
    @bond:c3-n2 @atom:c3 @atom:n2
    @bond:c3-n @atom:c3 @atom:n
    @bond:c3-n3 @atom:c3 @atom:n3
    @bond:c3-n4 @atom:c3 @atom:n4
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    @bond:na-p3 @atom:na @atom:p3
    @bond:na-p4 @atom:na @atom:p4
    @bond:na-p5 @atom:na @atom:p5
    @bond:na-pc @atom:na @atom:pc
    @bond:na-pd @atom:na @atom:pd
    @bond:na-py @atom:na @atom:py
    @bond:na-s @atom:na @atom:s
    @bond:na-s4 @atom:na @atom:s4
    @bond:na-s6 @atom:na @atom:s6
    @bond:na-sh @atom:na @atom:sh
    @bond:na-ss @atom:na @atom:ss
    @bond:na-sy @atom:na @atom:sy
    @bond:nb-nb @atom:nb @atom:nb
    @bond:nb-pb @atom:nb @atom:pb
    @bond:nc-nc @atom:nc @atom:nc
    @bond:nc-nd @atom:nc @atom:nd
    @bond:nc-os @atom:nc @atom:os
    @bond:nc-ss @atom:nc @atom:ss
    @bond:nc-sy @atom:nc @atom:sy
    @bond:nd-nd @atom:nd @atom:nd
    @bond:nd-os @atom:nd @atom:os
    @bond:nd-ss @atom:nd @atom:ss
    @bond:nd-sy @atom:nd @atom:sy
    @bond:ne-ne @atom:ne @atom:ne
    @bond:ne-nf @atom:ne @atom:nf
    @bond:ne-o @atom:ne @atom:o
    @bond:ne-p2 @atom:ne @atom:p2
    @bond:ne-pe @atom:ne @atom:pe
    @bond:ne-px @atom:ne @atom:px
    @bond:ne-py @atom:ne @atom:py
    @bond:ne-s @atom:ne @atom:s
    @bond:ne-sx @atom:ne @atom:sx
    @bond:ne-sy @atom:ne @atom:sy
    @bond:nf-nf @atom:nf @atom:nf
    @bond:nf-o @atom:nf @atom:o
    @bond:nf-p2 @atom:nf @atom:p2
    @bond:nf-pf @atom:nf @atom:pf
    @bond:nf-px @atom:nf @atom:px
    @bond:nf-py @atom:nf @atom:py
    @bond:nf-s @atom:nf @atom:s
    @bond:nf-sx @atom:nf @atom:sx
    @bond:nf-sy @atom:nf @atom:sy
    @bond:nh-nh @atom:nh @atom:nh
    @bond:nh-no @atom:nh @atom:no
    @bond:nh-o @atom:nh @atom:o
    @bond:nh-oh @atom:nh @atom:oh
    @bond:nh-os @atom:nh @atom:os
    @bond:nh-p2 @atom:nh @atom:p2
    @bond:nh-p3 @atom:nh @atom:p3
    @bond:nh-p4 @atom:nh @atom:p4
    @bond:nh-p5 @atom:nh @atom:p5
    @bond:nh-s @atom:nh @atom:s
    @bond:nh-s4 @atom:nh @atom:s4
    @bond:nh-s6 @atom:nh @atom:s6
    @bond:nh-sh @atom:nh @atom:sh
    @bond:nh-ss @atom:nh @atom:ss
    @bond:nh-sy @atom:nh @atom:sy
    @bond:n-n1 @atom:n @atom:n1
    @bond:n-n2 @atom:n @atom:n2
    @bond:n-n3 @atom:n @atom:n3
    @bond:n-n4 @atom:n @atom:n4
    @bond:n-n @atom:n @atom:n
    @bond:n-na @atom:n @atom:na
    @bond:n-nc @atom:n @atom:nc
    @bond:n-nd @atom:n @atom:nd
    @bond:n-nh @atom:n @atom:nh
    @bond:n-no @atom:n @atom:no
    @bond:n-o @atom:n @atom:o
    @bond:n-oh @atom:n @atom:oh
    @bond:no-no @atom:no @atom:no
    @bond:no-o @atom:no @atom:o
    @bond:no-oh @atom:no @atom:oh
    @bond:no-os @atom:no @atom:os
    @bond:no-os @atom:no @atom:os
    @bond:no-p2 @atom:no @atom:p2
    @bond:no-p3 @atom:no @atom:p3
    @bond:no-p4 @atom:no @atom:p4
    @bond:no-p5 @atom:no @atom:p5
    @bond:no-s @atom:no @atom:s
    @bond:n-os @atom:n @atom:os
    @bond:no-s4 @atom:no @atom:s4
    @bond:no-s6 @atom:no @atom:s6
    @bond:no-sh @atom:no @atom:sh
    @bond:no-ss @atom:no @atom:ss
    @bond:n-p2 @atom:n @atom:p2
    @bond:n-p3 @atom:n @atom:p3
    @bond:n-p4 @atom:n @atom:p4
    @bond:n-p5 @atom:n @atom:p5
    @bond:n-pc @atom:n @atom:pc
    @bond:n-pd @atom:n @atom:pd
    @bond:n-s @atom:n @atom:s
    @bond:n-s4 @atom:n @atom:s4
    @bond:n-s6 @atom:n @atom:s6
    @bond:n-sh @atom:n @atom:sh
    @bond:n-ss @atom:n @atom:ss
    @bond:n-sy @atom:n @atom:sy
    @bond:oh-oh @atom:oh @atom:oh
    @bond:oh-os @atom:oh @atom:os
    @bond:oh-p2 @atom:oh @atom:p2
    @bond:oh-p3 @atom:oh @atom:p3
    @bond:oh-p4 @atom:oh @atom:p4
    @bond:oh-p5 @atom:oh @atom:p5
    @bond:oh-py @atom:oh @atom:py
    @bond:oh-s @atom:oh @atom:s
    @bond:oh-s4 @atom:oh @atom:s4
    @bond:oh-s6 @atom:oh @atom:s6
    @bond:oh-sh @atom:oh @atom:sh
    @bond:oh-ss @atom:oh @atom:ss
    @bond:oh-sy @atom:oh @atom:sy
    @bond:o-o @atom:o @atom:o
    @bond:o-oh @atom:o @atom:oh
    @bond:o-os @atom:o @atom:os
    @bond:o-p2 @atom:o @atom:p2
    @bond:o-p3 @atom:o @atom:p3
    @bond:o-p4 @atom:o @atom:p4
    @bond:o-p5 @atom:o @atom:p5
    @bond:o-pe @atom:o @atom:pe
    @bond:o-pf @atom:o @atom:pf
    @bond:o-px @atom:o @atom:px
    @bond:o-py @atom:o @atom:py
    @bond:o-s @atom:o @atom:s
    @bond:o-s2 @atom:o @atom:s2
    @bond:o-s4 @atom:o @atom:s4
    @bond:o-s6 @atom:o @atom:s6
    @bond:o-sh @atom:o @atom:sh
    @bond:os-os @atom:os @atom:os
    @bond:os-p2 @atom:os @atom:p2
    @bond:os-p3 @atom:os @atom:p3
    @bond:os-p4 @atom:os @atom:p4
    @bond:os-p5 @atom:os @atom:p5
    @bond:os-py @atom:os @atom:py
    @bond:os-s @atom:os @atom:s
    @bond:o-ss @atom:o @atom:ss
    @bond:os-s4 @atom:os @atom:s4
    @bond:os-s6 @atom:os @atom:s6
    @bond:os-sh @atom:os @atom:sh
    @bond:os-ss @atom:os @atom:ss
    @bond:os-sy @atom:os @atom:sy
    @bond:o-sx @atom:o @atom:sx
    @bond:o-sy @atom:o @atom:sy
    @bond:p2-p2 @atom:p2 @atom:p2
    @bond:p2-p3 @atom:p2 @atom:p3
    @bond:p2-p4 @atom:p2 @atom:p4
    @bond:p2-p5 @atom:p2 @atom:p5
    @bond:p2-pe @atom:p2 @atom:pe
    @bond:p2-pf @atom:p2 @atom:pf
    @bond:p2-s @atom:p2 @atom:s
    @bond:p2-s4 @atom:p2 @atom:s4
    @bond:p2-s6 @atom:p2 @atom:s6
    @bond:p2-sh @atom:p2 @atom:sh
    @bond:p2-ss @atom:p2 @atom:ss
    @bond:p3-p3 @atom:p3 @atom:p3
    @bond:p3-p4 @atom:p3 @atom:p4
    @bond:p3-p5 @atom:p3 @atom:p5
    @bond:p3-s @atom:p3 @atom:s
    @bond:p3-s4 @atom:p3 @atom:s4
    @bond:p3-s6 @atom:p3 @atom:s6
    @bond:p3-sh @atom:p3 @atom:sh
    @bond:p3-ss @atom:p3 @atom:ss
    @bond:p4-p4 @atom:p4 @atom:p4
    @bond:p4-p5 @atom:p4 @atom:p5
    @bond:p4-s @atom:p4 @atom:s
    @bond:p4-s4 @atom:p4 @atom:s4
    @bond:p4-s6 @atom:p4 @atom:s6
    @bond:p4-sh @atom:p4 @atom:sh
    @bond:p4-ss @atom:p4 @atom:ss
    @bond:p5-p5 @atom:p5 @atom:p5
    @bond:p5-s @atom:p5 @atom:s
    @bond:p5-s4 @atom:p5 @atom:s4
    @bond:p5-s6 @atom:p5 @atom:s6
    @bond:p5-sh @atom:p5 @atom:sh
    @bond:p5-ss @atom:p5 @atom:ss
    @bond:pe-pe @atom:pe @atom:pe
    @bond:pe-pf @atom:pe @atom:pf
    @bond:pe-px @atom:pe @atom:px
    @bond:pe-py @atom:pe @atom:py
    @bond:pe-s @atom:pe @atom:s
    @bond:pe-sx @atom:pe @atom:sx
    @bond:pe-sy @atom:pe @atom:sy
    @bond:pf-pf @atom:pf @atom:pf
    @bond:pf-px @atom:pf @atom:px
    @bond:pf-py @atom:pf @atom:py
    @bond:pf-s @atom:pf @atom:s
    @bond:pf-sx @atom:pf @atom:sx
    @bond:pf-sy @atom:pf @atom:sy
    @bond:px-py @atom:px @atom:py
    @bond:px-sx @atom:px @atom:sx
    @bond:px-sy @atom:px @atom:sy
    @bond:py-py @atom:py @atom:py
    @bond:py-sx @atom:py @atom:sx
    @bond:py-sy @atom:py @atom:sy
    @bond:s4-s4 @atom:s4 @atom:s4
    @bond:s4-s6 @atom:s4 @atom:s6
    @bond:s4-sh @atom:s4 @atom:sh
    @bond:s4-ss @atom:s4 @atom:ss
    @bond:s6-s6 @atom:s6 @atom:s6
    @bond:s6-sh @atom:s6 @atom:sh
    @bond:s6-ss @atom:s6 @atom:ss
    @bond:sh-sh @atom:sh @atom:sh
    @bond:sh-ss @atom:sh @atom:ss
    @bond:s-s @atom:s @atom:s
    @bond:s-s2 @atom:s @atom:s2
    @bond:s-s4 @atom:s @atom:s4
    @bond:s-s6 @atom:s @atom:s6
    @bond:s-sh @atom:s @atom:sh
    @bond:s-ss @atom:s @atom:ss
    @bond:ss-ss @atom:ss @atom:ss
    @bond:sx-sx @atom:sx @atom:sx
    @bond:sx-sy @atom:sx @atom:sy
    @bond:sy-sy @atom:sy @atom:sy
  } # (end of Bonds By Type)

  write_once("In Settings") {
    angle_coeff @angle:hw-ow-hw harmonic 42.730 104.520   # AMBER 1 TIP3P_water
    angle_coeff @angle:hw-hw-ow harmonic 0.000 127.740   # AMBER 1 (found_in_crystallographic_water_with_3_bonds)
    angle_coeff @angle:br-c1-br harmonic 57.760 180.000   # Guess 0
    angle_coeff @angle:br-c1-c1 harmonic 54.930 180.000   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-c1-c1 harmonic 64.410 180.000   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-c1-c2 harmonic 60.840 180.000   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-c1-c3 harmonic 56.280 178.460   # SOURCE4 188 0.6631
    angle_coeff @angle:c1-c1-ca harmonic 56.920 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-cl harmonic 55.270 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-f harmonic 61.020 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-ha harmonic 44.840 178.380   # SOURCE3 41 2.0683
    angle_coeff @angle:c1-c1-hc harmonic 44.730 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-i harmonic 49.800 180.000   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-c1-n1 harmonic 67.170 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-n2 harmonic 65.170 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-n3 harmonic 59.770 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-n4 harmonic 59.090 179.560   # SOURCE3 3 0.3096
    angle_coeff @angle:c1-c1-n harmonic 62.130 177.180   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-c1-na harmonic 61.230 176.750   # SOURCE3 8 2.9328
    angle_coeff @angle:c1-c1-nh harmonic 61.440 179.270   # SOURCE3 3 0.2357
    angle_coeff @angle:c1-c1-no harmonic 59.380 180.000   # SOURCE3 3 0.0000
    angle_coeff @angle:c1-c1-o harmonic 66.790 180.000   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-c1-oh harmonic 62.700 176.650   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-c1-os harmonic 62.770 176.420   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-c1-p2 harmonic 51.510 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-p3 harmonic 52.470 169.630   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-c1-p4 harmonic 50.940 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-p5 harmonic 52.560 176.170   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-c1-s4 harmonic 68.490 167.470   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-c1-s6 harmonic 68.020 174.380   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-c1-s harmonic 70.430 179.970   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-c1-sh harmonic 68.520 180.000   # SOURCE3 1
    angle_coeff @angle:c1-c1-ss harmonic 69.890 173.220   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-c1-c2 harmonic 58.200 180.000   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-c1-ce harmonic 58.180 179.010   # SOURCE4 6 0.4656
    angle_coeff @angle:c2-c1-n1 harmonic 63.140 180.000   # HF/6-31G* 1
    angle_coeff @angle:c2-c1-o harmonic 63.070 179.500   # SOURCE2 1 0.0000
    angle_coeff @angle:c2-c1-s2 harmonic 71.800 172.980   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-c1-c3 harmonic 51.750 180.000   # Guess 0
    angle_coeff @angle:c3-c1-cg harmonic 55.790 178.520   # SOURCE4 39 0.5063
    angle_coeff @angle:c3-c1-n1 harmonic 58.100 178.500   # SOURCE4 77 0.5443
    angle_coeff @angle:ca-c1-ca harmonic 52.830 180.000   # Guess 0
    angle_coeff @angle:c-c1-c1 harmonic 56.330 180.000   # SOURCE3 1
    angle_coeff @angle:cg-c1-ha harmonic 43.980 177.410   # SOURCE3 22 2.4947
    angle_coeff @angle:ch-c1-ha harmonic 43.980 177.410   # SOURCE3 22 same_as_cg-c1-ha
    angle_coeff @angle:cl-c1-cl harmonic 53.920 180.000   # Guess 0
    angle_coeff @angle:f-c1-f harmonic 58.190 180.000   # Guess 0
    angle_coeff @angle:i-c1-i harmonic 53.410 180.000   # Guess 0
    angle_coeff @angle:n1-c1-n1 harmonic 93.200 102.010   # SOURCE3 1
    angle_coeff @angle:n1-c1-n3 harmonic 63.710 169.700   # SOURCE2 1 0.0000
    angle_coeff @angle:n1-c1-nh harmonic 64.020 177.430   # SOURCE4 7 0.7877
    angle_coeff @angle:n1-c1-os harmonic 64.720 178.590   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-c1-p3 harmonic 53.480 171.200   # SOURCE2 1 0.0000
    angle_coeff @angle:n1-c1-ss harmonic 70.640 178.680   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-c1-n2 harmonic 65.990 180.000   # Guess 0
    angle_coeff @angle:n2-c1-o harmonic 69.150 171.790   # SOURCE3 2 0.3594
    angle_coeff @angle:n2-c1-s harmonic 72.750 176.010   # SOURCE4 9 0.1123
    angle_coeff @angle:n3-c1-n3 harmonic 57.360 180.000   # Guess 0
    angle_coeff @angle:n4-c1-n4 harmonic 56.350 180.000   # Guess 0
    angle_coeff @angle:na-c1-na harmonic 58.620 180.000   # Guess 0
    angle_coeff @angle:ne-c1-o harmonic 69.390 172.330   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-c1-s harmonic 72.880 175.810   # SOURCE4 8 0.2356
    angle_coeff @angle:nf-c1-o harmonic 69.390 172.330   # SOURCE3 1 same_as_ne-c1-o
    angle_coeff @angle:nh-c1-nh harmonic 59.550 180.000   # Guess 0
    angle_coeff @angle:n-c1-n harmonic 60.030 180.000   # Guess 0
    angle_coeff @angle:no-c1-no harmonic 56.830 180.000   # Guess 0
    angle_coeff @angle:oh-c1-oh harmonic 60.910 180.000   # Guess 0
    angle_coeff @angle:o-c1-o harmonic 69.270 180.000   # Guess 0
    angle_coeff @angle:os-c1-os harmonic 60.960 180.000   # Guess 0
    angle_coeff @angle:p2-c1-p2 harmonic 50.310 180.000   # Guess 0
    angle_coeff @angle:p3-c1-p3 harmonic 49.750 180.000   # Guess 0
    angle_coeff @angle:p4-c1-p4 harmonic 49.750 180.000   # Guess 0
    angle_coeff @angle:p5-c1-p5 harmonic 50.800 180.000   # Guess 0
    angle_coeff @angle:s2-c1-s2 harmonic 89.430 180.000   # Guess 0
    angle_coeff @angle:s4-c1-s4 harmonic 81.700 180.000   # Guess 0
    angle_coeff @angle:s6-c1-s6 harmonic 82.840 180.000   # Guess 0
    angle_coeff @angle:sh-c1-sh harmonic 84.910 180.000   # Guess 0
    angle_coeff @angle:s-c1-s harmonic 87.510 180.000   # Guess 0
    angle_coeff @angle:ss-c1-ss harmonic 84.960 180.000   # Guess 0
    angle_coeff @angle:br-c2-br harmonic 68.560 115.060   # SOURCE3 1 0.0000
    angle_coeff @angle:br-c2-c2 harmonic 63.970 118.960   # SOURCE4 6 0.4902
    angle_coeff @angle:br-c2-c3 harmonic 63.710 115.330   # SOURCE4 6 0.5872
    angle_coeff @angle:br-c2-ce harmonic 63.210 121.590   # SOURCE4 7 0.7078
    angle_coeff @angle:br-c2-h4 harmonic 43.040 113.940   # SOURCE4 6 0.4017
    angle_coeff @angle:br-c2-ha harmonic 43.180 113.280   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-c2-c1 harmonic 72.260 116.770   # SOURCE3 1
    angle_coeff @angle:c1-c2-c2 harmonic 70.340 121.620   # SOURCE3 1
    angle_coeff @angle:c1-c2-c3 harmonic 64.220 124.920   # SOURCE4 17 0.7576
    angle_coeff @angle:c1-c2-f harmonic 67.990 124.900   # SOURCE2 1 0.0000
    angle_coeff @angle:c1-c2-ha harmonic 50.430 121.370   # SOURCE3 8 0.0055
    angle_coeff @angle:c2-c2-c2 harmonic 69.840 121.810   # SOURCE3 10 0.3843
    angle_coeff @angle:c2-c2-c3 harmonic 64.330 123.420   # SOURCE3 41 2.6057
    angle_coeff @angle:c2-c2-ca harmonic 66.880 117.000   # SOURCE3 1
    angle_coeff @angle:c2-c2-cc harmonic 70.220 117.210   # SOURCE3 2 0.3418
    angle_coeff @angle:c2-c2-cd harmonic 70.220 117.210   # SOURCE3 2 same_as_c2-c2-cc
    angle_coeff @angle:c2-c2-cl harmonic 62.820 122.850   # SOURCE4 23 0.6711
    angle_coeff @angle:c2-c2-cx harmonic 64.500 125.400   # SOURCE4 12 1.8494
    angle_coeff @angle:c2-c2-cy harmonic 70.420 103.300   # SOURCE2 1 0.0000
    angle_coeff @angle:c2-c2-f harmonic 68.110 122.920   # SOURCE4 12 0.5301
    angle_coeff @angle:c2-c2-h4 harmonic 49.750 122.540   # SOURCE4 69 1.1900
    angle_coeff @angle:c2-c2-ha harmonic 50.040 120.940   # SOURCE3 254 1.3150
    angle_coeff @angle:c2-c2-hc harmonic 50.300 119.700   # SOURCE3 1
    angle_coeff @angle:c2-c2-hx harmonic 48.980 126.450   # SOURCE3 3 0.0219
    angle_coeff @angle:c2-c2-i harmonic 56.280 121.030   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-c2-n1 harmonic 71.690 122.980   # HF/6-31G* 1
    angle_coeff @angle:c2-c2-n2 harmonic 71.290 126.010   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-c2-n3 harmonic 70.330 124.550   # SOURCE3 1
    angle_coeff @angle:c2-c2-n4 harmonic 67.180 121.520   # SOURCE3 5 1.2656
    angle_coeff @angle:c2-c2-n harmonic 68.860 123.200   # SOURCE4 15 1.8657
    angle_coeff @angle:c2-c2-na harmonic 69.830 121.380   # SOURCE3 26 6.9463
    angle_coeff @angle:c2-c2-nh harmonic 69.800 124.990   # SOURCE3 7 0.9929
    angle_coeff @angle:c2-c2-no harmonic 67.520 124.090   # SOURCE4 6 1.2772
    angle_coeff @angle:c2-c2-o harmonic 71.920 130.890   # SOURCE3 2 0.0201
    angle_coeff @angle:c2-c2-oh harmonic 71.640 122.070   # SOURCE4 6 1.0883
    angle_coeff @angle:c2-c2-os harmonic 71.040 121.890   # SOURCE4 33 1.3457
    angle_coeff @angle:c2-c2-p2 harmonic 66.940 115.100   # SOURCE3 1
    angle_coeff @angle:c2-c2-p3 harmonic 59.410 124.830   # SOURCE3 5 2.1222
    angle_coeff @angle:c2-c2-p4 harmonic 61.010 119.760   # SOURCE3 1
    angle_coeff @angle:c2-c2-p5 harmonic 58.230 125.970   # SOURCE3 1
    angle_coeff @angle:c2-c2-s4 harmonic 79.550 119.840   # SOURCE3 1
    angle_coeff @angle:c2-c2-s6 harmonic 79.490 120.010   # SOURCE3 1
    angle_coeff @angle:c2-c2-s harmonic 77.520 129.370   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-c2-sh harmonic 77.030 125.700   # SOURCE3 3 1.3390
    angle_coeff @angle:c2-c2-ss harmonic 79.470 122.860   # SOURCE4 13 1.7467
    angle_coeff @angle:c3-c2-c3 harmonic 62.700 116.520   # SOURCE3 15 3.1001
    angle_coeff @angle:c3-c2-cc harmonic 63.220 125.380   # SOURCE4 26 1.8978
    angle_coeff @angle:c3-c2-cd harmonic 63.160 125.640   # SOURCE3 1 same_as_c3-c2-cc
    angle_coeff @angle:c3-c2-ce harmonic 64.190 123.020   # SOURCE4 1189 1.9006
    angle_coeff @angle:c3-c2-cf harmonic 63.960 123.870   # SOURCE4 99 1.2875
    angle_coeff @angle:c3-c2-h4 harmonic 45.300 119.250   # SOURCE4 22 2.1707
    angle_coeff @angle:c3-c2-ha harmonic 45.660 117.300   # SOURCE3 33 1.7453
    angle_coeff @angle:c3-c2-hc harmonic 45.150 120.000   # SOURCE3 1
    angle_coeff @angle:c3-c2-n2 harmonic 66.470 123.520   # SOURCE4 141 2.2935
    angle_coeff @angle:c3-c2-n harmonic 66.790 114.800   # SOURCE4 12 1.8112
    angle_coeff @angle:c3-c2-na harmonic 64.950 122.540   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-c2-ne harmonic 66.960 122.150   # SOURCE3 4 0.2197
    angle_coeff @angle:c3-c2-nf harmonic 66.960 122.150   # SOURCE3 4 same_as_c3-c2-ne
    angle_coeff @angle:c3-c2-nh harmonic 66.690 118.590   # SOURCE3 6 2.2622
    angle_coeff @angle:c3-c2-o harmonic 67.880 123.180   # SOURCE4 5 0.9226
    angle_coeff @angle:c3-c2-oh harmonic 68.500 115.040   # SOURCE4 36 2.0110
    angle_coeff @angle:c3-c2-os harmonic 68.770 112.690   # SOURCE4 50 2.4254
    angle_coeff @angle:c3-c2-p2 harmonic 62.400 122.740   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-c2-s harmonic 79.470 115.440   # SOURCE3 2 0.0115
    angle_coeff @angle:c3-c2-ss harmonic 77.990 119.660   # SOURCE4 45 1.9732
    angle_coeff @angle:ca-c2-ca harmonic 63.510 117.880   # SOURCE3 1
    angle_coeff @angle:ca-c2-hc harmonic 45.280 123.300   # SOURCE3 1
    angle_coeff @angle:c-c2-c2 harmonic 67.930 120.700   # SOURCE3 1
    angle_coeff @angle:c-c2-c3 harmonic 63.870 119.700   # SOURCE3 1
    angle_coeff @angle:c-c2-c harmonic 66.570 118.880   # SOURCE3 1
    angle_coeff @angle:cc-c2-h4 harmonic 49.190 120.330   # SOURCE4 7 0.0865
    angle_coeff @angle:cc-c2-ha harmonic 49.070 120.760   # SOURCE3 11 1.4155
    angle_coeff @angle:cc-c2-nh harmonic 69.460 122.960   # SOURCE4 10 0.7347
    angle_coeff @angle:cc-c2-o harmonic 72.800 123.590   # SOURCE4 6 0.0560
    angle_coeff @angle:cd-c2-ha harmonic 49.070 120.760   # SOURCE3 11 1.4155
    angle_coeff @angle:ce-c2-cl harmonic 62.430 123.900   # SOURCE4 11 0.3570
    angle_coeff @angle:ce-c2-h4 harmonic 49.380 122.290   # SOURCE4 75 1.4008
    angle_coeff @angle:ce-c2-ha harmonic 49.570 121.190   # SOURCE3 122 0.5318
    angle_coeff @angle:ce-c2-na harmonic 68.820 123.710   # SOURCE4 6 2.0109
    angle_coeff @angle:ce-c2-nh harmonic 70.640 120.720   # SOURCE4 93 2.2537
    angle_coeff @angle:ce-c2-no harmonic 68.450 119.650   # SOURCE4 5 0.9817
    angle_coeff @angle:ce-c2-o harmonic 73.660 123.080   # SOURCE4 5 0.2391
    angle_coeff @angle:ce-c2-oh harmonic 70.900 123.270   # SOURCE4 42 1.8111
    angle_coeff @angle:ce-c2-os harmonic 70.470 122.520   # SOURCE4 51 2.4680
    angle_coeff @angle:cf-c2-ha harmonic 49.570 121.190   # SOURCE3 122 same_as_ce-c2-ha
    angle_coeff @angle:c-c2-ha harmonic 47.670 121.330   # SOURCE3 4 0.2462
    angle_coeff @angle:c-c2-hc harmonic 48.000 119.700   # SOURCE3 1
    angle_coeff @angle:cl-c2-cl harmonic 64.100 114.270   # SOURCE4 10 0.5850
    angle_coeff @angle:cl-c2-h4 harmonic 43.820 113.770   # SOURCE4 9 0.6228
    angle_coeff @angle:cl-c2-ha harmonic 43.940 113.200   # SOURCE3 1 0.0000
    angle_coeff @angle:cx-c2-ha harmonic 46.610 115.890   # SOURCE4 15 0.3682
    angle_coeff @angle:f-c2-f harmonic 70.670 109.600   # SOURCE2 2 0.6000
    angle_coeff @angle:f-c2-ha harmonic 51.250 110.000   # SOURCE2 1 0.0000
    angle_coeff @angle:h4-c2-n2 harmonic 52.400 120.690   # SOURCE4 13 1.3105
    angle_coeff @angle:h4-c2-n harmonic 50.480 113.570   # SOURCE4 26 1.0283
    angle_coeff @angle:h4-c2-na harmonic 51.030 113.220   # SOURCE4 9 0.6345
    angle_coeff @angle:h4-c2-ne harmonic 52.870 119.630   # SOURCE4 10 1.6786
    angle_coeff @angle:h4-c2-nh harmonic 51.550 115.640   # SOURCE4 31 1.0081
    angle_coeff @angle:h4-c2-no harmonic 49.390 113.380   # SOURCE4 6 0.1240
    angle_coeff @angle:h4-c2-os harmonic 52.230 113.700   # SOURCE3 13 2.0464
    angle_coeff @angle:h4-c2-ss harmonic 54.230 118.470   # SOURCE3 9 2.5335
    angle_coeff @angle:h5-c2-n2 harmonic 52.410 120.160   # SOURCE4 27 1.8999
    angle_coeff @angle:h5-c2-na harmonic 48.230 126.390   # SOURCE3 4 0.3299
    angle_coeff @angle:h5-c2-ne harmonic 52.760 119.620   # SOURCE4 17 1.3235
    angle_coeff @angle:h5-c2-nh harmonic 51.850 113.930   # SOURCE4 50 0.8394
    angle_coeff @angle:ha-c2-ha harmonic 38.020 117.650   # SOURCE3 349 1.3426
    angle_coeff @angle:ha-c2-n1 harmonic 51.830 120.760   # SOURCE3 8 0.6632
    angle_coeff @angle:ha-c2-n2 harmonic 52.390 120.540   # SOURCE3 92 1.4571
    angle_coeff @angle:ha-c2-n3 harmonic 52.440 113.540   # SOURCE3 1
    angle_coeff @angle:ha-c2-n harmonic 50.490 113.400   # SOURCE3 4 1.2182
    angle_coeff @angle:ha-c2-na harmonic 51.180 112.420   # SOURCE3 8 0.6507
    angle_coeff @angle:ha-c2-ne harmonic 52.480 121.180   # SOURCE3 68 0.6824
    angle_coeff @angle:ha-c2-nf harmonic 52.480 121.180   # SOURCE3 68 same_as_ha-c2-ne
    angle_coeff @angle:ha-c2-nh harmonic 51.290 116.680   # SOURCE3 13 2.5734
    angle_coeff @angle:ha-c2-no harmonic 49.640 112.140   # SOURCE3 2 0.0264
    angle_coeff @angle:ha-c2-o harmonic 55.300 117.230   # SOURCE3 2 0.0201
    angle_coeff @angle:ha-c2-oh harmonic 52.340 116.180   # SOURCE3 2 0.0000
    angle_coeff @angle:ha-c2-os harmonic 52.430 112.690   # SOURCE3 13 2.5851
    angle_coeff @angle:ha-c2-p2 harmonic 44.050 121.480   # SOURCE3 122 0.4329
    angle_coeff @angle:ha-c2-p3 harmonic 41.120 114.310   # SOURCE3 3 0.0000
    angle_coeff @angle:ha-c2-p4 harmonic 40.790 117.860   # SOURCE3 1
    angle_coeff @angle:ha-c2-p5 harmonic 39.360 120.100   # SOURCE3 2 0.0000
    angle_coeff @angle:ha-c2-pe harmonic 43.490 121.460   # SOURCE3 104 0.7821
    angle_coeff @angle:ha-c2-pf harmonic 43.490 121.460   # SOURCE3 104 same_as_ha-c2-pe
    angle_coeff @angle:ha-c2-s2 harmonic 58.460 118.740   # SOURCE3 2 0.0000
    angle_coeff @angle:ha-c2-s4 harmonic 54.190 115.300   # SOURCE3 2 0.0000
    angle_coeff @angle:ha-c2-s harmonic 54.950 115.700   # SOURCE3 2 0.0000
    angle_coeff @angle:ha-c2-s6 harmonic 53.880 116.600   # SOURCE3 2 0.0000
    angle_coeff @angle:ha-c2-sh harmonic 54.480 111.740   # SOURCE3 1 0.0000
    angle_coeff @angle:ha-c2-ss harmonic 54.640 116.720   # SOURCE3 7 2.7543
    angle_coeff @angle:hc-c2-hc harmonic 37.810 118.920   # SOURCE3 1
    angle_coeff @angle:hc-c2-n2 harmonic 52.420 120.400   # SOURCE3 1
    angle_coeff @angle:hc-c2-n harmonic 50.350 114.040   # SOURCE3 1
    angle_coeff @angle:hc-c2-na harmonic 49.730 119.100   # SOURCE3 1
    angle_coeff @angle:hc-c2-nh harmonic 52.030 113.360   # SOURCE3 1
    angle_coeff @angle:hc-c2-no harmonic 49.640 112.120   # SOURCE3 1
    angle_coeff @angle:hc-c2-oh harmonic 52.330 116.220   # SOURCE3 1
    angle_coeff @angle:hc-c2-os harmonic 51.650 116.110   # SOURCE3 1
    angle_coeff @angle:hc-c2-p3 harmonic 40.610 117.190   # SOURCE3 1
    angle_coeff @angle:hc-c2-p5 harmonic 39.440 119.580   # SOURCE3 1
    angle_coeff @angle:hc-c2-s4 harmonic 54.000 116.120   # SOURCE3 1
    angle_coeff @angle:hc-c2-s6 harmonic 54.150 115.450   # SOURCE3 1
    angle_coeff @angle:hc-c2-sh harmonic 53.550 115.630   # SOURCE3 1
    angle_coeff @angle:hc-c2-ss harmonic 54.900 115.620   # SOURCE3 1
    angle_coeff @angle:hx-c2-n4 harmonic 48.420 113.030   # SOURCE3 3 0.3873
    angle_coeff @angle:i-c2-i harmonic 60.960 117.940   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-c2-n1 harmonic 73.610 124.150   # HF/6-31G* 1
    angle_coeff @angle:n2-c2-n2 harmonic 77.960 113.820   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-c2-n4 harmonic 72.030 113.050   # SOURCE4 6 0.3318
    angle_coeff @angle:n2-c2-na harmonic 71.710 123.620   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-c2-nh harmonic 72.620 124.270   # SOURCE3 12 2.4114
    angle_coeff @angle:n2-c2-oh harmonic 74.360 122.080   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-c2-os harmonic 74.320 119.820   # SOURCE4 20 1.2664
    angle_coeff @angle:n2-c2-ss harmonic 79.560 129.770   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-c2-n3 harmonic 73.450 118.470   # SOURCE3 1
    angle_coeff @angle:n4-c2-n4 harmonic 67.720 113.930   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-c2-ss harmonic 81.510 116.260   # SOURCE4 7 2.4226
    angle_coeff @angle:na-c2-na harmonic 73.650 109.330   # SOURCE3 3 3.0187
    angle_coeff @angle:ne-c2-nh harmonic 73.020 123.570   # SOURCE4 126 2.4468
    angle_coeff @angle:ne-c2-os harmonic 74.860 118.760   # SOURCE4 5 0.3382
    angle_coeff @angle:ne-c2-ss harmonic 82.780 120.060   # SOURCE4 9 1.3423
    angle_coeff @angle:nf-c2-nh harmonic 73.280 122.720   # SOURCE3 2 same_as_ne-c2-nh
    angle_coeff @angle:nh-c2-nh harmonic 74.460 112.720   # SOURCE4 257 1.8176
    angle_coeff @angle:nh-c2-oh harmonic 74.050 117.160   # SOURCE4 7 0.8698
    angle_coeff @angle:nh-c2-os harmonic 74.320 114.290   # SOURCE4 18 1.0900
    angle_coeff @angle:nh-c2-ss harmonic 85.090 111.550   # SOURCE4 37 1.1778
    angle_coeff @angle:n-c2-n2 harmonic 70.560 125.950   # SOURCE3 2 5.0202
    angle_coeff @angle:n-c2-n harmonic 71.550 113.230   # SOURCE3 1 0.0000
    angle_coeff @angle:n-c2-na harmonic 74.570 105.420   # SOURCE3 1 0.0000
    angle_coeff @angle:n-c2-ne harmonic 70.890 125.380   # SOURCE4 10 1.6819
    angle_coeff @angle:n-c2-nh harmonic 74.200 109.140   # SOURCE4 22 1.5634
    angle_coeff @angle:no-c2-no harmonic 69.430 113.900   # SOURCE3 1 0.0000
    angle_coeff @angle:n-c2-ss harmonic 84.580 111.060   # SOURCE4 9 0.5522
    angle_coeff @angle:oh-c2-oh harmonic 76.030 114.330   # SOURCE3 1 0.0000
    angle_coeff @angle:o-c2-o harmonic 80.230 121.690   # SOURCE3 1
    angle_coeff @angle:o-c2-oh harmonic 76.690 121.230   # SOURCE4 6 0.0958
    angle_coeff @angle:o-c2-s harmonic 81.200 127.680   # SOURCE3 2 0.0547
    angle_coeff @angle:os-c2-os harmonic 74.210 115.800   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-c2-p2 harmonic 62.800 129.800   # SOURCE3 1
    angle_coeff @angle:p3-c2-p3 harmonic 60.610 115.540   # SOURCE3 1 0.0000
    angle_coeff @angle:p5-c2-p5 harmonic 58.010 121.850   # SOURCE3 1
    angle_coeff @angle:s4-c2-s4 harmonic 99.130 120.320   # SOURCE3 1
    angle_coeff @angle:s4-c2-s6 harmonic 99.290 119.950   # SOURCE3 1
    angle_coeff @angle:s6-c2-s6 harmonic 99.280 119.970   # SOURCE3 1
    angle_coeff @angle:sh-c2-sh harmonic 102.460 110.480   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-c2-ss harmonic 100.350 117.820   # SOURCE3 1
    angle_coeff @angle:s-c2-s harmonic 100.060 121.670   # SOURCE3 1
    angle_coeff @angle:ss-c2-ss harmonic 100.540 120.240   # SOURCE3 1 0.0000
    angle_coeff @angle:br-c3-br harmonic 67.460 109.030   # SOURCE4 6 0.5435
    angle_coeff @angle:br-c3-c1 harmonic 62.770 111.800   # SOURCE2 3 0.2160
    angle_coeff @angle:br-c3-c3 harmonic 63.030 109.250   # SOURCE3 10 0.5685
    angle_coeff @angle:br-c3-c harmonic 62.920 110.370   # SOURCE4 13 2.4747
    angle_coeff @angle:br-c3-h1 harmonic 43.120 103.040   # SOURCE3 5 0.3092
    angle_coeff @angle:br-c3-h2 harmonic 42.340 107.100   # SOURCE4 7 0.2378
    angle_coeff @angle:br-c3-hc harmonic 42.400 106.500   # SOURCE3 1
    angle_coeff @angle:c1-c3-c1 harmonic 66.500 109.000   # SOURCE2 1 0.0000
    angle_coeff @angle:c1-c3-c2 harmonic 65.000 111.110   # SOURCE4 12 0.7366
    angle_coeff @angle:c1-c3-c3 harmonic 64.290 111.420   # SOURCE4 197 1.2106
    angle_coeff @angle:c1-c3-ca harmonic 64.930 110.950   # SOURCE4 28 1.1203
    angle_coeff @angle:c1-c3-cc harmonic 64.290 114.290   # SOURCE4 8 0.1535
    angle_coeff @angle:c1-c3-cd harmonic 64.360 114.060   # SOURCE4 5 0.0462
    angle_coeff @angle:c1-c3-cl harmonic 62.890 110.630   # SOURCE2 3 1.2257
    angle_coeff @angle:c1-c3-h1 harmonic 48.350 109.290   # SOURCE4 133 0.5701
    angle_coeff @angle:c1-c3-hc harmonic 48.250 109.750   # SOURCE3 12 0.8436
    angle_coeff @angle:c1-c3-hx harmonic 47.760 112.050   # SOURCE4 17 0.2587
    angle_coeff @angle:c1-c3-n3 harmonic 67.030 112.590   # SOURCE4 28 0.9555
    angle_coeff @angle:c1-c3-n4 harmonic 66.530 112.040   # SOURCE4 11 0.5701
    angle_coeff @angle:c1-c3-n harmonic 67.410 112.080   # SOURCE4 18 0.9568
    angle_coeff @angle:c1-c3-nh harmonic 67.250 112.790   # SOURCE4 8 0.9453
    angle_coeff @angle:c1-c3-oh harmonic 69.490 109.140   # SOURCE4 39 0.6500
    angle_coeff @angle:c1-c3-os harmonic 69.270 108.880   # SOURCE4 31 0.9597
    angle_coeff @angle:c2-c3-c2 harmonic 63.930 112.080   # SOURCE4 153 0.7742
    angle_coeff @angle:c2-c3-c3 harmonic 63.530 111.440   # SOURCE4 2891 1.7167
    angle_coeff @angle:c2-c3-ca harmonic 63.710 112.450   # SOURCE4 141 1.6755
    angle_coeff @angle:c2-c3-cc harmonic 64.000 112.490   # SOURCE4 15 1.7250
    angle_coeff @angle:c2-c3-cd harmonic 64.460 110.890   # SOURCE4 17 2.1339
    angle_coeff @angle:c2-c3-ce harmonic 64.080 111.750   # SOURCE4 28 1.5646
    angle_coeff @angle:c2-c3-cf harmonic 63.960 112.190   # SOURCE4 10 2.4554
    angle_coeff @angle:c2-c3-cl harmonic 62.050 112.070   # SOURCE4 6 0.9936
    angle_coeff @angle:c2-c3-cx harmonic 63.650 112.620   # SOURCE4 17 1.3287
    angle_coeff @angle:c2-c3-cy harmonic 66.760 101.330   # SOURCE4 58 0.9262
    angle_coeff @angle:c2-c3-f harmonic 66.520 110.960   # SOURCE4 25 0.2829
    angle_coeff @angle:c2-c3-h1 harmonic 47.030 110.460   # SOURCE3 17 1.1525
    angle_coeff @angle:c2-c3-h2 harmonic 46.840 111.190   # SOURCE4 17 0.8311
    angle_coeff @angle:c2-c3-hc harmonic 47.030 110.490   # SOURCE3 159 0.7479
    angle_coeff @angle:c2-c3-hx harmonic 46.830 111.450   # SOURCE4 20 0.9004
    angle_coeff @angle:c2-c3-n2 harmonic 67.090 108.990   # SOURCE4 10 1.2025
    angle_coeff @angle:c2-c3-n3 harmonic 66.470 111.520   # SOURCE4 158 1.4012
    angle_coeff @angle:c2-c3-n harmonic 66.730 111.380   # SOURCE4 67 1.7559
    angle_coeff @angle:c2-c3-na harmonic 66.240 113.300   # SOURCE4 27 1.2945
    angle_coeff @angle:c2-c3-nh harmonic 67.100 110.270   # SOURCE4 56 1.8018
    angle_coeff @angle:c2-c3-oh harmonic 68.180 110.210   # SOURCE4 220 1.4197
    angle_coeff @angle:c2-c3-os harmonic 68.450 108.480   # SOURCE4 204 1.6082
    angle_coeff @angle:c2-c3-s4 harmonic 79.190 109.730   # SOURCE4 6 0.1722
    angle_coeff @angle:c2-c3-ss harmonic 80.520 104.970   # SOURCE3 2 2.2248
    angle_coeff @angle:c3-c3-c3 harmonic 63.210 110.630   # SOURCE3 507 2.7845
    angle_coeff @angle:c3-c3-ca harmonic 63.250 112.090   # SOURCE4 3859 1.5523
    angle_coeff @angle:c3-c3-cc harmonic 63.570 111.920   # SOURCE4 695 1.6368
    angle_coeff @angle:c3-c3-cd harmonic 64.690 108.100   # SOURCE3 5 same_as_c3-c3-cc
    angle_coeff @angle:c3-c3-ce harmonic 63.650 111.220   # SOURCE4 395 1.7751
    angle_coeff @angle:c3-c3-cf harmonic 63.900 110.370   # SOURCE4 95 1.5467
    angle_coeff @angle:c3-c3-cl harmonic 62.200 110.330   # SOURCE3 20 1.1495
    angle_coeff @angle:c3-c3-cx harmonic 63.300 111.820   # SOURCE4 179 2.4814
    angle_coeff @angle:c3-c3-cy harmonic 63.630 109.620   # SOURCE3 5 2.0747
    angle_coeff @angle:c3-c3-f harmonic 66.220 109.410   # SOURCE3 18 1.1878
    angle_coeff @angle:c3-c3-h1 harmonic 46.360 110.070   # SOURCE3 457 1.1542
    angle_coeff @angle:c3-c3-h2 harmonic 46.020 111.590   # SOURCE3 8 1.1217
    angle_coeff @angle:c3-c3-hc harmonic 46.370 110.050   # SOURCE3 2092 0.6991
    angle_coeff @angle:c3-c3-hx harmonic 46.020 111.740   # SOURCE3 15 1.2365
    angle_coeff @angle:c3-c3-i harmonic 58.480 110.960   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-c3-n1 harmonic 66.640 108.860   # SOURCE4 9 0.8093
    angle_coeff @angle:c3-c3-n2 harmonic 66.400 109.160   # SOURCE3 8 1.4079
    angle_coeff @angle:c3-c3-n3 harmonic 66.180 110.380   # SOURCE3 69 2.9054
    angle_coeff @angle:c3-c3-n4 harmonic 64.450 114.320   # SOURCE4 567 2.4412
    angle_coeff @angle:c3-c3-n harmonic 65.850 112.130   # SOURCE3 31 2.0700
    angle_coeff @angle:c3-c3-na harmonic 65.730 112.810   # SOURCE4 595 1.5050
    angle_coeff @angle:c3-c3-nh harmonic 66.390 110.450   # SOURCE4 1514 1.3881
    angle_coeff @angle:c3-c3-no harmonic 65.210 109.270   # SOURCE4 25 1.1817
    angle_coeff @angle:c3-c3-o harmonic 68.590 112.970   # SOURCE4 14 1.0277
    angle_coeff @angle:c3-c3-oh harmonic 67.720 109.430   # SOURCE3 48 1.5023
    angle_coeff @angle:c3-c3-os harmonic 67.780 108.420   # SOURCE3 122 1.6759
    angle_coeff @angle:c3-c3-p3 harmonic 60.410 113.190   # SOURCE4 15 0.2974
    angle_coeff @angle:c3-c3-p5 harmonic 61.390 112.320   # SOURCE4 106 1.1753
    angle_coeff @angle:c3-c3-s4 harmonic 78.670 110.070   # SOURCE4 38 0.8510
    angle_coeff @angle:c3-c3-s6 harmonic 79.700 110.000   # SOURCE4 152 1.4278
    angle_coeff @angle:c3-c3-sh harmonic 77.180 113.020   # SOURCE4 80 1.3442
    angle_coeff @angle:c3-c3-ss harmonic 77.330 112.690   # SOURCE3 24 2.1842
    angle_coeff @angle:c3-c3-sy harmonic 79.490 109.910   # SOURCE4 22 0.9248
    angle_coeff @angle:ca-c3-ca harmonic 63.660 112.260   # SOURCE4 385 1.7047
    angle_coeff @angle:ca-c3-cc harmonic 63.760 112.940   # SOURCE4 61 1.2579
    angle_coeff @angle:ca-c3-cd harmonic 65.180 108.080   # SOURCE3 8 same_as_ca-c3-cc
    angle_coeff @angle:ca-c3-ce harmonic 63.810 112.330   # SOURCE4 51 1.1929
    angle_coeff @angle:ca-c3-cl harmonic 62.200 111.310   # SOURCE4 16 0.8077
    angle_coeff @angle:ca-c3-cx harmonic 63.690 112.100   # SOURCE4 5 2.1117
    angle_coeff @angle:ca-c3-f harmonic 66.140 111.760   # SOURCE4 449 0.3492
    angle_coeff @angle:ca-c3-h1 harmonic 46.780 110.950   # SOURCE3 12 1.1170
    angle_coeff @angle:ca-c3-h2 harmonic 47.030 109.660   # SOURCE4 29 1.2184
    angle_coeff @angle:ca-c3-hc harmonic 46.960 110.150   # SOURCE3 47 1.2602
    angle_coeff @angle:ca-c3-hx harmonic 46.690 111.440   # SOURCE4 33 0.4691
    angle_coeff @angle:ca-c3-n2 harmonic 65.920 112.490   # SOURCE4 22 1.1043
    angle_coeff @angle:ca-c3-n3 harmonic 66.180 112.130   # SOURCE4 387 1.2309
    angle_coeff @angle:ca-c3-n4 harmonic 64.870 114.540   # SOURCE4 22 2.3986
    angle_coeff @angle:ca-c3-n harmonic 66.290 112.430   # SOURCE4 201 1.5133
    angle_coeff @angle:ca-c3-na harmonic 66.270 112.810   # SOURCE4 104 1.5807
    angle_coeff @angle:ca-c3-nc harmonic 68.200 106.510   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-c3-nd harmonic 68.200 106.510   # SOURCE3 1 same_as_ca-c3-nc
    angle_coeff @angle:ca-c3-nh harmonic 66.640 111.410   # SOURCE4 147 1.0074
    angle_coeff @angle:ca-c3-oh harmonic 67.940 110.550   # SOURCE4 348 1.2310
    angle_coeff @angle:ca-c3-os harmonic 68.190 108.890   # SOURCE4 411 1.0102
    angle_coeff @angle:ca-c3-p5 harmonic 61.350 113.410   # SOURCE4 19 1.4444
    angle_coeff @angle:ca-c3-s6 harmonic 79.570 111.360   # SOURCE4 15 1.4775
    angle_coeff @angle:ca-c3-ss harmonic 78.350 110.660   # SOURCE4 78 1.4797
    angle_coeff @angle:ca-c3-sx harmonic 78.680 110.800   # SOURCE4 16 0.5396
    angle_coeff @angle:c-c3-c1 harmonic 64.560 112.640   # SOURCE4 11 1.0678
    angle_coeff @angle:c-c3-c2 harmonic 64.140 111.320   # SOURCE4 92 1.8522
    angle_coeff @angle:c-c3-c3 harmonic 63.790 110.530   # SOURCE3 62 1.9636
    angle_coeff @angle:c-c3-c harmonic 64.060 111.610   # SOURCE4 151 2.1872
    angle_coeff @angle:c-c3-ca harmonic 64.130 110.990   # SOURCE4 481 1.7257
    angle_coeff @angle:c-c3-cc harmonic 63.940 112.690   # SOURCE4 61 1.4162
    angle_coeff @angle:cc-c3-cc harmonic 63.640 114.440   # SOURCE4 9 0.7894
    angle_coeff @angle:cc-c3-cd harmonic 67.300 102.350   # SOURCE3 1 0.0000
    angle_coeff @angle:cc-c3-cx harmonic 63.850 112.550   # SOURCE4 5 1.4317
    angle_coeff @angle:c-c3-cd harmonic 63.810 113.170   # SOURCE4 43 1.3583
    angle_coeff @angle:c-c3-ce harmonic 64.020 111.980   # SOURCE4 16 2.1388
    angle_coeff @angle:cc-c3-f harmonic 66.730 111.130   # SOURCE4 60 0.4791
    angle_coeff @angle:cc-c3-h1 harmonic 47.030 111.620   # SOURCE3 20 1.0215
    angle_coeff @angle:cc-c3-hc harmonic 47.200 110.860   # SOURCE3 85 1.0276
    angle_coeff @angle:cc-c3-hx harmonic 47.170 111.020   # SOURCE4 9 0.7503
    angle_coeff @angle:c-c3-cl harmonic 62.300 111.160   # SOURCE4 41 1.2257
    angle_coeff @angle:cc-c3-n2 harmonic 66.850 110.470   # SOURCE4 11 0.5153
    angle_coeff @angle:cc-c3-n3 harmonic 66.670 111.570   # SOURCE4 66 1.2287
    angle_coeff @angle:cc-c3-n4 harmonic 64.880 115.580   # SOURCE4 6 1.1723
    angle_coeff @angle:cc-c3-n harmonic 66.740 112.050   # SOURCE4 23 1.5593
    angle_coeff @angle:cc-c3-na harmonic 66.430 113.390   # SOURCE4 8 0.8010
    angle_coeff @angle:cc-c3-nc harmonic 68.370 107.040   # SOURCE3 2 0.0000
    angle_coeff @angle:cc-c3-nh harmonic 66.500 113.020   # SOURCE4 14 1.6083
    angle_coeff @angle:cc-c3-oh harmonic 68.010 111.510   # SOURCE4 61 1.4663
    angle_coeff @angle:cc-c3-os harmonic 68.570 108.820   # SOURCE4 84 1.2451
    angle_coeff @angle:cc-c3-p5 harmonic 60.750 116.230   # SOURCE4 6 0.7766
    angle_coeff @angle:cc-c3-sh harmonic 77.340 114.020   # SOURCE3 1 same_as_cd-c3-sh
    angle_coeff @angle:cc-c3-ss harmonic 78.390 111.090   # SOURCE4 35 0.8623
    angle_coeff @angle:c-c3-cx harmonic 64.080 111.090   # SOURCE4 9 1.2357
    angle_coeff @angle:cd-c3-cd harmonic 65.520 107.990   # SOURCE3 10 5.1937
    angle_coeff @angle:cd-c3-f harmonic 66.530 111.800   # SOURCE4 9 0.4528
    angle_coeff @angle:cd-c3-h1 harmonic 47.030 111.620   # SOURCE3 20 1.0215
    angle_coeff @angle:cd-c3-hc harmonic 47.200 110.860   # SOURCE3 85 1.0276
    angle_coeff @angle:cd-c3-n3 harmonic 66.960 110.590   # SOURCE4 45 1.4707
    angle_coeff @angle:cd-c3-n harmonic 67.110 110.830   # SOURCE4 9 1.3462
    angle_coeff @angle:cd-c3-nd harmonic 68.370 107.040   # SOURCE3 2 same_as_cc-c3-nc
    angle_coeff @angle:cd-c3-nh harmonic 67.060 111.110   # SOURCE4 7 2.0959
    angle_coeff @angle:cd-c3-oh harmonic 68.280 110.640   # SOURCE4 55 1.5008
    angle_coeff @angle:cd-c3-os harmonic 67.810 111.280   # SOURCE3 7 same_as_cc-c3-os
    angle_coeff @angle:cd-c3-sh harmonic 77.340 114.020   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-c3-ss harmonic 78.450 110.910   # SOURCE4 8 0.8705
    angle_coeff @angle:ce-c3-ce harmonic 64.240 111.440   # SOURCE4 18 0.3695
    angle_coeff @angle:ce-c3-cy harmonic 66.340 102.820   # SOURCE4 6 0.1191
    angle_coeff @angle:ce-c3-h1 harmonic 47.280 109.650   # SOURCE4 98 0.9337
    angle_coeff @angle:ce-c3-hc harmonic 47.000 110.980   # SOURCE3 27 0.1559
    angle_coeff @angle:ce-c3-n3 harmonic 66.430 111.900   # SOURCE4 20 0.5035
    angle_coeff @angle:ce-c3-n harmonic 67.090 110.410   # SOURCE4 6 1.1405
    angle_coeff @angle:ce-c3-oh harmonic 68.000 111.050   # SOURCE4 17 1.5159
    angle_coeff @angle:ce-c3-os harmonic 68.640 108.100   # SOURCE4 16 1.9583
    angle_coeff @angle:ce-c3-ss harmonic 78.300 111.100   # SOURCE4 7 2.0156
    angle_coeff @angle:c-c3-f harmonic 66.820 109.980   # SOURCE4 38 0.9895
    angle_coeff @angle:cf-c3-cy harmonic 66.330 102.850   # SOURCE4 49 0.2818
    angle_coeff @angle:cf-c3-h1 harmonic 47.350 109.340   # SOURCE4 21 0.7788
    angle_coeff @angle:cf-c3-hc harmonic 47.000 110.980   # SOURCE3 27 same_as_ce-c3-hc
    angle_coeff @angle:cf-c3-n3 harmonic 66.510 111.640   # SOURCE4 8 1.1575
    angle_coeff @angle:c-c3-h1 harmonic 47.630 107.660   # SOURCE3 66 1.4015
    angle_coeff @angle:c-c3-h2 harmonic 47.160 109.690   # SOURCE4 38 1.0614
    angle_coeff @angle:c-c3-hc harmonic 47.200 109.680   # SOURCE3 614 0.6426
    angle_coeff @angle:c-c3-hx harmonic 47.230 109.540   # SOURCE4 47 0.6627
    angle_coeff @angle:cl-c3-cl harmonic 62.700 111.030   # SOURCE2 6 1.1324
    angle_coeff @angle:cl-c3-f harmonic 63.600 109.020   # SOURCE4 15 0.3609
    angle_coeff @angle:cl-c3-h1 harmonic 43.710 105.930   # SOURCE3 19 1.1883
    angle_coeff @angle:cl-c3-h2 harmonic 43.490 107.140   # SOURCE4 50 0.5973
    angle_coeff @angle:cl-c3-hc harmonic 43.360 107.650   # SOURCE2 2 2.2500
    angle_coeff @angle:cl-c3-os harmonic 64.920 111.400   # SOURCE4 8 0.8275
    angle_coeff @angle:cl-c3-ss harmonic 78.390 112.940   # SOURCE4 10 1.4625
    angle_coeff @angle:c-c3-n2 harmonic 66.920 109.550   # SOURCE4 55 1.4579
    angle_coeff @angle:c-c3-n3 harmonic 66.590 111.140   # SOURCE4 629 1.6673
    angle_coeff @angle:c-c3-n4 harmonic 65.070 114.210   # SOURCE4 27 1.5388
    angle_coeff @angle:c-c3-n harmonic 66.670 111.560   # SOURCE3 28 1.7981
    angle_coeff @angle:c-c3-na harmonic 66.810 111.370   # SOURCE4 31 1.6229
    angle_coeff @angle:c-c3-nh harmonic 67.360 109.430   # SOURCE4 42 1.7022
    angle_coeff @angle:c-c3-oh harmonic 68.650 108.700   # SOURCE4 299 1.3415
    angle_coeff @angle:c-c3-os harmonic 68.030 109.820   # SOURCE3 10 2.0612
    angle_coeff @angle:c-c3-p5 harmonic 62.230 110.410   # SOURCE4 15 2.2683
    angle_coeff @angle:c-c3-s6 harmonic 80.060 110.220   # SOURCE4 5 2.0076
    angle_coeff @angle:c-c3-sh harmonic 79.050 108.820   # SOURCE4 12 0.8354
    angle_coeff @angle:c-c3-ss harmonic 78.090 111.580   # SOURCE3 5 1.9506
    angle_coeff @angle:cx-c3-cx harmonic 63.530 112.580   # SOURCE4 7 1.2211
    angle_coeff @angle:cx-c3-h1 harmonic 47.040 109.640   # SOURCE4 175 0.8822
    angle_coeff @angle:cx-c3-hc harmonic 46.920 110.200   # SOURCE4 356 0.8798
    angle_coeff @angle:cx-c3-hx harmonic 46.380 112.810   # SOURCE4 12 0.0977
    angle_coeff @angle:cx-c3-n3 harmonic 65.830 113.220   # SOURCE4 33 1.3978
    angle_coeff @angle:cx-c3-n4 harmonic 68.880 101.510   # SOURCE4 12 0.0760
    angle_coeff @angle:cx-c3-n harmonic 66.220 112.590   # SOURCE4 22 0.8034
    angle_coeff @angle:cx-c3-oh harmonic 68.100 109.970   # SOURCE4 25 1.3176
    angle_coeff @angle:cx-c3-os harmonic 68.400 108.160   # SOURCE4 26 1.0162
    angle_coeff @angle:cy-c3-h1 harmonic 47.000 107.880   # SOURCE4 162 0.9624
    angle_coeff @angle:cy-c3-hc harmonic 46.510 110.170   # SOURCE3 16 0.5693
    angle_coeff @angle:cy-c3-n3 harmonic 65.630 112.720   # SOURCE4 7 1.0639
    angle_coeff @angle:cy-c3-oh harmonic 67.220 111.560   # SOURCE4 138 0.5051
    angle_coeff @angle:cy-c3-os harmonic 68.450 106.790   # SOURCE4 5 1.0955
    angle_coeff @angle:f-c3-f harmonic 71.260 107.160   # SOURCE2 10 1.1324
    angle_coeff @angle:f-c3-h1 harmonic 51.570 107.850   # SOURCE3 14 0.9537
    angle_coeff @angle:f-c3-h2 harmonic 51.360 108.410   # SOURCE3 6 0.5081
    angle_coeff @angle:f-c3-h3 harmonic 51.050 110.010   # SOURCE4 19 0.6811
    angle_coeff @angle:f-c3-hc harmonic 51.330 108.920   # SOURCE2 5 3.0534
    angle_coeff @angle:f-c3-n2 harmonic 69.230 110.400   # SOURCE2 3 2.6470
    angle_coeff @angle:f-c3-os harmonic 70.660 110.610   # SOURCE4 45 1.1755
    angle_coeff @angle:f-c3-p5 harmonic 63.700 107.250   # SOURCE4 11 1.1735
    angle_coeff @angle:f-c3-s6 harmonic 81.220 109.670   # SOURCE4 24 0.4116
    angle_coeff @angle:f-c3-ss harmonic 78.640 111.890   # SOURCE4 11 0.9479
    angle_coeff @angle:h1-c3-h1 harmonic 39.180 109.550   # SOURCE3 1888 1.1205
    angle_coeff @angle:h1-c3-n1 harmonic 49.990 107.310   # HF/6-31G* 1
    angle_coeff @angle:h1-c3-n2 harmonic 49.260 109.610   # SOURCE3 63 1.0452
    angle_coeff @angle:h1-c3-n3 harmonic 49.390 109.920   # SOURCE3 313 1.1810
    angle_coeff @angle:h1-c3-n harmonic 49.820 109.320   # SOURCE3 91 1.0325
    angle_coeff @angle:h1-c3-na harmonic 49.900 109.450   # SOURCE3 53 0.9555
    angle_coeff @angle:h1-c3-nc harmonic 50.110 108.570   # SOURCE3 6 0.0764
    angle_coeff @angle:h1-c3-nd harmonic 50.110 108.570   # SOURCE3 6 same_as_h1-c3-nc
    angle_coeff @angle:h1-c3-nh harmonic 49.730 109.960   # SOURCE3 70 0.7000
    angle_coeff @angle:h1-c3-no harmonic 48.660 105.150   # SOURCE4 16 0.4950
    angle_coeff @angle:h1-c3-o harmonic 52.530 117.190   # SOURCE3 6 0.0003
    angle_coeff @angle:h1-c3-oh harmonic 50.970 109.880   # SOURCE3 63 1.3172
    angle_coeff @angle:h1-c3-os harmonic 50.840 108.820   # SOURCE3 541 0.8042
    angle_coeff @angle:h1-c3-p5 harmonic 42.870 107.990   # SOURCE4 72 1.1862
    angle_coeff @angle:h1-c3-s4 harmonic 54.280 108.660   # SOURCE3 201 0.3834
    angle_coeff @angle:h1-c3-s harmonic 52.120 112.600   # SOURCE3 6 0.0026
    angle_coeff @angle:h1-c3-s6 harmonic 55.510 108.110   # SOURCE3 160 0.5518
    angle_coeff @angle:h1-c3-sh harmonic 53.660 109.210   # SOURCE3 22 1.2028
    angle_coeff @angle:h1-c3-ss harmonic 53.660 109.340   # SOURCE3 356 0.6573
    angle_coeff @angle:h1-c3-sx harmonic 54.210 108.690   # SOURCE3 90 0.2749
    angle_coeff @angle:h1-c3-sy harmonic 55.250 108.090   # SOURCE3 93 0.2556
    angle_coeff @angle:h2-c3-h2 harmonic 39.000 109.190   # SOURCE3 29 3.1352
    angle_coeff @angle:h2-c3-i harmonic 38.690 104.990   # SOURCE3 2 0.0000
    angle_coeff @angle:h2-c3-n2 harmonic 49.080 110.220   # SOURCE3 6 0.2133
    angle_coeff @angle:h2-c3-n3 harmonic 49.370 109.800   # SOURCE4 189 1.2893
    angle_coeff @angle:h2-c3-n harmonic 50.220 107.380   # SOURCE4 258 1.3140
    angle_coeff @angle:h2-c3-na harmonic 50.270 107.660   # SOURCE3 6 1.4096
    angle_coeff @angle:h2-c3-nc harmonic 49.850 109.470   # SOURCE3 10 0.3133
    angle_coeff @angle:h2-c3-nd harmonic 49.850 109.470   # SOURCE3 10 same_as_h2-c3-nc
    angle_coeff @angle:h2-c3-nh harmonic 49.600 110.330   # SOURCE4 102 1.0596
    angle_coeff @angle:h2-c3-no harmonic 47.830 108.690   # SOURCE3 4 0.0000
    angle_coeff @angle:h2-c3-o harmonic 54.380 108.970   # SOURCE3 4 0.0000
    angle_coeff @angle:h2-c3-oh harmonic 51.290 108.300   # SOURCE3 6 0.5715
    angle_coeff @angle:h2-c3-os harmonic 50.840 108.580   # SOURCE3 44 1.2773
    angle_coeff @angle:h2-c3-s4 harmonic 54.330 108.580   # SOURCE3 8 0.2408
    angle_coeff @angle:h2-c3-s harmonic 53.560 106.750   # SOURCE3 4 0.0000
    angle_coeff @angle:h2-c3-s6 harmonic 55.940 106.540   # SOURCE4 27 0.9934
    angle_coeff @angle:h2-c3-sh harmonic 54.020 107.870   # SOURCE3 6 0.4376
    angle_coeff @angle:h2-c3-ss harmonic 53.590 109.750   # SOURCE3 10 0.3442
    angle_coeff @angle:h3-c3-n3 harmonic 49.730 108.390   # SOURCE4 12 1.7932
    angle_coeff @angle:h3-c3-nc harmonic 49.910 109.370   # SOURCE3 1 0.0000
    angle_coeff @angle:h3-c3-nd harmonic 49.910 109.370   # SOURCE3 1 same_as_h3-c3-nc
    angle_coeff @angle:h3-c3-nh harmonic 49.530 110.780   # SOURCE4 5 1.5993
    angle_coeff @angle:h3-c3-os harmonic 50.090 112.030   # SOURCE4 17 1.0957
    angle_coeff @angle:h3-c3-ss harmonic 53.680 109.270   # SOURCE4 8 0.8367
    angle_coeff @angle:hc-c3-hc harmonic 39.430 108.350   # SOURCE3 2380 0.9006
    angle_coeff @angle:hc-c3-i harmonic 38.620 104.990   # SOURCE3 1
    angle_coeff @angle:hc-c3-n2 harmonic 49.290 109.500   # SOURCE3 1
    angle_coeff @angle:hc-c3-n3 harmonic 49.420 109.800   # SOURCE2 5 2.0070
    angle_coeff @angle:hc-c3-n4 harmonic 49.010 107.900   # SOURCE3 1
    angle_coeff @angle:hc-c3-n harmonic 49.780 109.500   # SOURCE3 1
    angle_coeff @angle:hc-c3-na harmonic 49.900 109.500   # SOURCE3 1
    angle_coeff @angle:hc-c3-nh harmonic 49.380 111.540   # SOURCE3 1
    angle_coeff @angle:hc-c3-no harmonic 48.190 107.200   # SOURCE2 1 0.0000
    angle_coeff @angle:hc-c3-oh harmonic 51.070 109.500   # SOURCE3 1
    angle_coeff @angle:hc-c3-os harmonic 50.870 108.700   # SOURCE2 13 2.3739
    angle_coeff @angle:hc-c3-p2 harmonic 41.380 110.180   # SOURCE3 25 0.4057
    angle_coeff @angle:hc-c3-p3 harmonic 41.660 110.140   # SOURCE3 325 0.5126
    angle_coeff @angle:hc-c3-p4 harmonic 42.040 109.590   # SOURCE3 87 0.3196
    angle_coeff @angle:hc-c3-p5 harmonic 42.540 109.640   # SOURCE3 69 0.8112
    angle_coeff @angle:hc-c3-px harmonic 42.240 109.740   # SOURCE3 84 0.3474
    angle_coeff @angle:hc-c3-py harmonic 42.560 109.540   # SOURCE3 39 0.1999
    angle_coeff @angle:hc-c3-s4 harmonic 54.570 107.500   # SOURCE2 1 0.0000
    angle_coeff @angle:hc-c3-s6 harmonic 55.480 108.200   # SOURCE3 1
    angle_coeff @angle:hc-c3-sh harmonic 53.990 107.870   # SOURCE2 3 2.0981
    angle_coeff @angle:hc-c3-ss harmonic 53.800 108.760   # SOURCE2 3 1.6891
    angle_coeff @angle:hx-c3-hx harmonic 39.040 110.740   # SOURCE3 137 0.5531
    angle_coeff @angle:hx-c3-n4 harmonic 49.020 107.910   # SOURCE3 148 0.5899
    angle_coeff @angle:i-c3-i harmonic 61.980 113.120   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-c3-n1 harmonic 71.090 105.070   # HF/6-31G* 1
    angle_coeff @angle:n2-c3-n2 harmonic 69.890 107.700   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-c3-nh harmonic 69.260 111.060   # SOURCE4 5 0.7868
    angle_coeff @angle:n2-c3-oh harmonic 70.150 111.820   # SOURCE4 10 0.3451
    angle_coeff @angle:n2-c3-os harmonic 70.040 111.230   # SOURCE4 6 1.0463
    angle_coeff @angle:n3-c3-n3 harmonic 69.610 109.590   # SOURCE4 27 1.8125
    angle_coeff @angle:n3-c3-nc harmonic 68.790 113.290   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-c3-nd harmonic 68.790 113.290   # SOURCE3 1 same_as_n3-c3-nc
    angle_coeff @angle:n3-c3-nh harmonic 69.740 110.080   # SOURCE4 21 1.0686
    angle_coeff @angle:n3-c3-oh harmonic 70.710 110.630   # SOURCE4 20 1.0177
    angle_coeff @angle:n3-c3-os harmonic 71.150 108.330   # SOURCE4 17 1.9545
    angle_coeff @angle:n3-c3-p5 harmonic 64.440 109.510   # SOURCE4 10 1.5002
    angle_coeff @angle:n3-c3-ss harmonic 81.950 107.730   # SOURCE4 18 1.7621
    angle_coeff @angle:n4-c3-n4 harmonic 67.130 113.320   # SOURCE3 1 0.0000
    angle_coeff @angle:na-c3-na harmonic 69.060 113.490   # SOURCE3 1 0.0000
    angle_coeff @angle:na-c3-os harmonic 71.270 109.060   # SOURCE4 170 0.5450
    angle_coeff @angle:nc-c3-nc harmonic 69.960 110.610   # SOURCE3 1 0.0000
    angle_coeff @angle:nc-c3-nh harmonic 69.340 112.430   # SOURCE3 1 0.0000
    angle_coeff @angle:nc-c3-os harmonic 69.280 115.410   # SOURCE3 3 1.0288
    angle_coeff @angle:nd-c3-nd harmonic 69.960 110.610   # SOURCE3 1 same_as_nc-c3-nc
    angle_coeff @angle:nd-c3-nh harmonic 69.340 112.430   # SOURCE3 1 same_as_nc-c3-nh
    angle_coeff @angle:nd-c3-os harmonic 69.280 115.410   # SOURCE3 3 same_as_nc-c3-os
    angle_coeff @angle:nh-c3-nh harmonic 71.410 105.870   # SOURCE3 1 0.0000
    angle_coeff @angle:nh-c3-oh harmonic 70.470 112.360   # SOURCE4 12 0.7775
    angle_coeff @angle:nh-c3-os harmonic 71.260 108.930   # SOURCE4 17 1.3775
    angle_coeff @angle:nh-c3-p5 harmonic 63.700 112.500   # SOURCE4 5 1.7371
    angle_coeff @angle:nh-c3-ss harmonic 81.670 108.880   # SOURCE4 8 2.1521
    angle_coeff @angle:n-c3-n2 harmonic 68.820 112.340   # SOURCE4 5 1.1443
    angle_coeff @angle:n-c3-n3 harmonic 69.390 111.030   # SOURCE4 15 1.8216
    angle_coeff @angle:n-c3-n harmonic 68.780 113.810   # SOURCE3 1 0.0000
    angle_coeff @angle:n-c3-nh harmonic 70.540 108.340   # SOURCE4 11 2.1727
    angle_coeff @angle:n-c3-oh harmonic 70.360 112.540   # SOURCE4 31 1.1295
    angle_coeff @angle:no-c3-no harmonic 68.370 104.470   # SOURCE4 5 0.9726
    angle_coeff @angle:n-c3-os harmonic 71.140 109.160   # SOURCE4 153 0.8778
    angle_coeff @angle:n-c3-p5 harmonic 64.380 110.050   # SOURCE4 5 1.2965
    angle_coeff @angle:oh-c3-oh harmonic 72.710 109.230   # SOURCE4 8 1.4978
    angle_coeff @angle:oh-c3-os harmonic 72.380 109.210   # SOURCE4 85 1.1964
    angle_coeff @angle:oh-c3-p5 harmonic 65.440 108.860   # SOURCE4 33 1.2025
    angle_coeff @angle:oh-c3-sh harmonic 80.110 115.460   # SOURCE3 1 0.0000
    angle_coeff @angle:o-c3-o harmonic 74.430 122.300   # SOURCE3 1 0.0000
    angle_coeff @angle:os-c3-os harmonic 71.720 110.240   # SOURCE3 17 2.1340
    angle_coeff @angle:os-c3-p5 harmonic 65.470 108.360   # SOURCE4 22 2.1937
    angle_coeff @angle:os-c3-ss harmonic 82.720 107.980   # SOURCE4 20 1.7464
    angle_coeff @angle:p2-c3-p2 harmonic 61.280 110.480   # SOURCE3 1 0.0000
    angle_coeff @angle:p3-c3-p3 harmonic 61.730 110.160   # SOURCE3 1 0.0000
    angle_coeff @angle:p5-c3-p5 harmonic 62.800 110.130   # SOURCE4 33 2.4116
    angle_coeff @angle:p5-c3-ss harmonic 78.880 111.300   # SOURCE4 5 2.0560
    angle_coeff @angle:s4-c3-s4 harmonic 99.950 112.290   # SOURCE3 2 1.2724
    angle_coeff @angle:s4-c3-s6 harmonic 100.300 113.520   # SOURCE3 1
    angle_coeff @angle:s6-c3-s6 harmonic 102.050 111.750   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-c3-sh harmonic 97.420 116.260   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-c3-ss harmonic 99.850 110.730   # SOURCE3 1
    angle_coeff @angle:s-c3-s harmonic 93.400 123.350   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-c3-ss harmonic 99.950 110.570   # SOURCE4 15 1.4311
    angle_coeff @angle:br-ca-br harmonic 67.310 117.600   # SOURCE3 1
    angle_coeff @angle:br-ca-ca harmonic 63.480 118.130   # SOURCE3 8 0.6041
    angle_coeff @angle:c1-ca-c1 harmonic 64.700 120.000   # SOURCE3 1
    angle_coeff @angle:c1-ca-ca harmonic 65.860 120.000   # SOURCE3 1
    angle_coeff @angle:c2-ca-c2 harmonic 62.950 120.000   # SOURCE3 1
    angle_coeff @angle:c2-ca-ca harmonic 64.690 120.600   # SOURCE3 1
    angle_coeff @angle:c3-ca-c2 harmonic 62.240 120.000   # SOURCE3 1
    angle_coeff @angle:c3-ca-c3 harmonic 62.410 116.800   # SOURCE3 1
    angle_coeff @angle:c3-ca-ca harmonic 63.840 120.630   # SOURCE3 60 0.7175
    angle_coeff @angle:c3-ca-cp harmonic 63.700 120.630   # SOURCE3 60 0.7175
    angle_coeff @angle:c3-ca-cq harmonic 63.590 120.630   # SOURCE3 60 0.7175
    angle_coeff @angle:c3-ca-na harmonic 66.590 118.780   # SOURCE4 59 1.1184
    angle_coeff @angle:c3-ca-nb harmonic 67.330 116.660   # SOURCE4 408 0.9380
    angle_coeff @angle:ca-ca-ca harmonic 67.180 119.970   # SOURCE3 1969 0.3480
    angle_coeff @angle:ca-ca-cc harmonic 65.990 120.100   # SOURCE3 103 0.3451
    angle_coeff @angle:ca-ca-cd harmonic 65.990 120.100   # SOURCE3 103 0.3451
    angle_coeff @angle:ca-ca-ce harmonic 64.880 120.660   # SOURCE3 14 0.1564
    angle_coeff @angle:ca-ca-cf harmonic 64.880 120.660   # SOURCE3 14 same_as_ca-ca-ce
    angle_coeff @angle:ca-ca-cg harmonic 65.900 120.050   # SOURCE3 6 0.2397
    angle_coeff @angle:ca-ca-ch harmonic 65.900 120.050   # SOURCE3 6 same_as_ca-ca-cg
    angle_coeff @angle:ca-ca-cl harmonic 62.920 119.400   # SOURCE4 2459 0.5283
    angle_coeff @angle:ca-ca-cp harmonic 67.240 119.070   # SOURCE3 14 2.3077
    angle_coeff @angle:ca-ca-cq harmonic 67.090 119.070   # SOURCE3 14 2.3077
    angle_coeff @angle:ca-ca-cx harmonic 64.480 120.830   # SOURCE4 71 1.3062
    angle_coeff @angle:ca-ca-cy harmonic 63.770 120.860   # SOURCE4 17 2.0287
    angle_coeff @angle:ca-ca-f harmonic 67.510 118.950   # SOURCE4 967 0.3369
    angle_coeff @angle:ca-ca-h4 harmonic 48.240 121.090   # SOURCE3 57 1.4696
    angle_coeff @angle:ca-ca-ha harmonic 48.460 120.010   # SOURCE3 2980 0.2511
    angle_coeff @angle:ca-ca-i harmonic 58.590 118.470   # SOURCE3 10 0.6181
    angle_coeff @angle:ca-ca-n1 harmonic 68.920 118.500   # HF/6-31G* 1
    angle_coeff @angle:ca-ca-n2 harmonic 70.950 119.570   # SOURCE3 1
    angle_coeff @angle:ca-ca-n4 harmonic 67.280 118.410   # SOURCE3 6 0.1691
    angle_coeff @angle:ca-ca-n harmonic 67.970 119.890   # SOURCE3 18 0.2095
    angle_coeff @angle:ca-ca-na harmonic 70.210 118.340   # SOURCE3 54 3.6168
    angle_coeff @angle:ca-ca-nb harmonic 69.160 122.630   # SOURCE3 83 1.1249
    angle_coeff @angle:ca-ca-nc harmonic 70.140 119.720   # SOURCE3 22 3.3994
    angle_coeff @angle:ca-ca-nd harmonic 70.140 119.720   # SOURCE3 22 3.3994
    angle_coeff @angle:ca-ca-ne harmonic 67.740 119.880   # SOURCE3 24 0.3637
    angle_coeff @angle:ca-ca-nf harmonic 67.740 119.880   # SOURCE3 24 0.3637
    angle_coeff @angle:ca-ca-nh harmonic 69.340 120.130   # SOURCE3 193 0.6341
    angle_coeff @angle:ca-ca-no harmonic 66.880 119.540   # SOURCE3 10 1.3187
    angle_coeff @angle:ca-ca-o harmonic 71.850 123.290   # SOURCE4 11 1.2526
    angle_coeff @angle:ca-ca-oh harmonic 69.850 119.940   # SOURCE3 14 0.1627
    angle_coeff @angle:ca-ca-os harmonic 69.790 119.200   # SOURCE3 52 0.5240
    angle_coeff @angle:ca-ca-p2 harmonic 61.520 114.360   # SOURCE3 1
    angle_coeff @angle:ca-ca-p3 harmonic 60.320 120.730   # SOURCE3 6 0.1273
    angle_coeff @angle:ca-ca-p4 harmonic 60.930 120.300   # SOURCE3 1
    angle_coeff @angle:ca-ca-p5 harmonic 61.240 120.280   # SOURCE4 5 0.0177
    angle_coeff @angle:ca-ca-pe harmonic 60.250 120.450   # SOURCE3 20 0.2719
    angle_coeff @angle:ca-ca-pf harmonic 60.250 120.450   # SOURCE3 20 0.2719
    angle_coeff @angle:ca-ca-px harmonic 60.340 120.530   # SOURCE3 10 0.4509
    angle_coeff @angle:ca-ca-py harmonic 61.180 119.980   # SOURCE3 6 0.0670
    angle_coeff @angle:ca-ca-s4 harmonic 78.120 119.150   # SOURCE3 1
    angle_coeff @angle:ca-ca-s6 harmonic 78.690 120.540   # SOURCE4 36 1.2154
    angle_coeff @angle:ca-ca-s harmonic 78.750 122.550   # SOURCE3 4 0.0000
    angle_coeff @angle:ca-ca-sh harmonic 77.610 121.780   # SOURCE4 17 1.2849
    angle_coeff @angle:ca-ca-ss harmonic 78.500 119.930   # SOURCE3 16 0.3901
    angle_coeff @angle:ca-ca-sx harmonic 76.800 119.180   # SOURCE3 6 0.0434
    angle_coeff @angle:ca-ca-sy harmonic 78.020 119.890   # SOURCE3 24 1.8813
    angle_coeff @angle:c-ca-c3 harmonic 62.610 118.060   # SOURCE3 1
    angle_coeff @angle:c-ca-c harmonic 62.650 120.000   # SOURCE3 1
    angle_coeff @angle:c-ca-ca harmonic 64.640 120.140   # SOURCE3 40 0.4788
    angle_coeff @angle:cc-ca-cp harmonic 64.690 124.300   # SOURCE4 10 0.6423
    angle_coeff @angle:cc-ca-nb harmonic 69.060 118.450   # SOURCE4 35 1.6594
    angle_coeff @angle:cd-ca-nb harmonic 69.340 117.500   # SOURCE4 29 1.8623
    angle_coeff @angle:ce-ca-na harmonic 67.440 119.850   # SOURCE4 9 0.7001
    angle_coeff @angle:ce-ca-nb harmonic 68.300 117.380   # SOURCE4 32 0.6890
    angle_coeff @angle:cf-ca-nb harmonic 68.080 118.140   # SOURCE4 12 1.1775
    angle_coeff @angle:cg-ca-cp harmonic 65.330 121.530   # SOURCE4 12 0.1831
    angle_coeff @angle:c-ca-ha harmonic 46.510 115.900   # SOURCE3 1
    angle_coeff @angle:cl-ca-cl harmonic 62.630 118.720   # SOURCE3 1
    angle_coeff @angle:cl-ca-cp harmonic 62.600 120.310   # SOURCE4 18 0.5607
    angle_coeff @angle:cl-ca-nb harmonic 65.810 116.150   # SOURCE4 50 0.6047
    angle_coeff @angle:c-ca-nb harmonic 67.710 117.940   # SOURCE4 91 1.0536
    angle_coeff @angle:c-ca-nc harmonic 64.400 130.800   # SOURCE3 1
    angle_coeff @angle:c-ca-nd harmonic 64.400 130.800   # SOURCE3 1 same_as_c-ca-nc
    angle_coeff @angle:cp-ca-f harmonic 67.180 119.390   # SOURCE4 16 0.1724
    angle_coeff @angle:cp-ca-h4 harmonic 48.230 120.030   # SOURCE4 27 0.4431
    angle_coeff @angle:cp-ca-ha harmonic 48.030 121.080   # SOURCE3 12 1.7484
    angle_coeff @angle:cp-ca-na harmonic 73.000 108.790   # SOURCE4 165 0.5166
    angle_coeff @angle:cp-ca-nb harmonic 68.640 123.720   # SOURCE4 50 0.8176
    angle_coeff @angle:cp-ca-nh harmonic 68.740 121.520   # SOURCE4 11 0.5438
    angle_coeff @angle:cp-ca-oh harmonic 69.340 120.960   # SOURCE4 12 1.1400
    angle_coeff @angle:cp-ca-ss harmonic 80.870 112.750   # SOURCE4 8 0.6216
    angle_coeff @angle:cp-ca-sy harmonic 80.930 111.180   # SOURCE3 2 0.0000
    angle_coeff @angle:cq-ca-ha harmonic 47.860 121.080   # SOURCE3 12 1.7484
    angle_coeff @angle:cq-ca-sy harmonic 80.860 111.180   # SOURCE3 2 0.0000
    angle_coeff @angle:f-ca-f harmonic 68.050 117.500   # SOURCE3 1
    angle_coeff @angle:f-ca-nb harmonic 71.690 114.580   # SOURCE4 19 0.2987
    angle_coeff @angle:h4-ca-n harmonic 49.480 116.020   # SOURCE3 1
    angle_coeff @angle:h4-ca-na harmonic 51.880 114.650   # SOURCE3 5 1.5484
    angle_coeff @angle:h4-ca-nb harmonic 51.820 115.940   # SOURCE3 52 0.7370
    angle_coeff @angle:h4-ca-nc harmonic 51.460 118.360   # SOURCE3 1
    angle_coeff @angle:h4-ca-nd harmonic 51.460 118.360   # SOURCE3 1 same_as_h4-ca-nc
    angle_coeff @angle:h4-ca-os harmonic 52.300 111.150   # SOURCE3 1
    angle_coeff @angle:h4-ca-ss harmonic 53.660 116.190   # SOURCE3 1
    angle_coeff @angle:h5-ca-nb harmonic 51.760 116.350   # SOURCE3 30 0.5545
    angle_coeff @angle:h5-ca-nc harmonic 50.700 122.110   # SOURCE3 1
    angle_coeff @angle:h5-ca-nd harmonic 50.700 122.110   # SOURCE3 1 same_as_h5-ca-nc
    angle_coeff @angle:ha-ca-n2 harmonic 52.970 116.000   # SOURCE2 1 0.0000
    angle_coeff @angle:ha-ca-p2 harmonic 39.570 122.560   # SOURCE3 1
    angle_coeff @angle:i-ca-i harmonic 62.290 119.280   # SOURCE3 1
    angle_coeff @angle:n1-ca-n1 harmonic 70.730 117.030   # HF/6-31G* 1
    angle_coeff @angle:n2-ca-n2 harmonic 75.050 120.000   # SOURCE3 1
    angle_coeff @angle:n2-ca-na harmonic 73.800 119.600   # SOURCE3 1
    angle_coeff @angle:n4-ca-n4 harmonic 67.650 116.820   # SOURCE3 1
    angle_coeff @angle:na-ca-na harmonic 76.480 107.650   # SOURCE4 5 0.8751
    angle_coeff @angle:na-ca-nb harmonic 70.600 127.070   # SOURCE4 237 1.9392
    angle_coeff @angle:na-ca-nh harmonic 72.480 118.620   # SOURCE4 29 0.9759
    angle_coeff @angle:nb-ca-nb harmonic 70.780 127.190   # SOURCE4 585 1.1793
    angle_coeff @angle:nb-ca-nc harmonic 70.900 127.320   # SOURCE4 8 0.8052
    angle_coeff @angle:nb-ca-nd harmonic 71.250 126.080   # SOURCE4 14 0.9814
    angle_coeff @angle:nb-ca-nh harmonic 73.200 116.950   # SOURCE4 765 0.8040
    angle_coeff @angle:nb-ca-oh harmonic 73.570 117.300   # SOURCE4 64 0.9290
    angle_coeff @angle:nb-ca-os harmonic 72.540 119.660   # SOURCE4 76 0.6493
    angle_coeff @angle:nb-ca-sh harmonic 81.390 117.590   # SOURCE4 15 1.4616
    angle_coeff @angle:nb-ca-ss harmonic 81.120 119.300   # SOURCE4 41 1.3420
    angle_coeff @angle:nc-ca-nc harmonic 70.670 128.740   # SOURCE3 1
    angle_coeff @angle:nc-ca-nh harmonic 72.770 118.860   # SOURCE3 1
    angle_coeff @angle:nd-ca-nd harmonic 70.670 128.740   # SOURCE3 1 same_as_nc-ca-nc
    angle_coeff @angle:nd-ca-nh harmonic 72.770 118.860   # SOURCE3 1 same_as_nc-ca-nh
    angle_coeff @angle:nh-ca-nh harmonic 71.400 120.980   # SOURCE3 1
    angle_coeff @angle:n-ca-nc harmonic 69.660 123.860   # SOURCE3 1
    angle_coeff @angle:n-ca-nd harmonic 69.660 123.860   # SOURCE3 1 same_as_n-ca-nc
    angle_coeff @angle:n-ca-nh harmonic 71.290 116.160   # SOURCE3 1
    angle_coeff @angle:no-ca-no harmonic 67.420 117.140   # SOURCE3 1
    angle_coeff @angle:oh-ca-oh harmonic 72.630 120.000   # SOURCE3 1
    angle_coeff @angle:o-ca-o harmonic 78.210 126.820   # SOURCE3 1
    angle_coeff @angle:os-ca-os harmonic 74.010 113.730   # SOURCE3 1
    angle_coeff @angle:p2-ca-p2 harmonic 58.980 121.200   # SOURCE3 1
    angle_coeff @angle:p3-ca-p3 harmonic 59.440 121.460   # SOURCE3 1
    angle_coeff @angle:p5-ca-p5 harmonic 60.760 120.000   # SOURCE3 1
    angle_coeff @angle:s4-ca-s4 harmonic 104.060 105.810   # SOURCE3 1
    angle_coeff @angle:s6-ca-s6 harmonic 105.770 105.810   # SOURCE3 1
    angle_coeff @angle:sh-ca-sh harmonic 98.150 120.240   # SOURCE3 1
    angle_coeff @angle:s-ca-s harmonic 98.380 125.140   # SOURCE3 1
    angle_coeff @angle:ss-ca-ss harmonic 100.760 115.150   # SOURCE3 1
    angle_coeff @angle:br-c-br harmonic 66.910 113.100   # SOURCE3 1
    angle_coeff @angle:br-c-c3 harmonic 63.340 110.740   # SOURCE3 1 0.0000
    angle_coeff @angle:br-c-o harmonic 63.190 121.460   # SOURCE3 5 1.6264
    angle_coeff @angle:c1-c-c1 harmonic 65.090 115.320   # SOURCE3 1
    angle_coeff @angle:c1-c-o harmonic 69.920 122.340   # SOURCE3 1
    angle_coeff @angle:c2-c-c2 harmonic 67.170 116.780   # SOURCE3 1
    angle_coeff @angle:c2-c-ha harmonic 48.650 115.950   # SOURCE3 1
    angle_coeff @angle:c2-c-o harmonic 72.770 119.120   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-c-s harmonic 81.850 119.160   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-c-c3 harmonic 62.820 116.050   # SOURCE3 11 1.0986
    angle_coeff @angle:c3-c-ca harmonic 62.590 118.540   # SOURCE4 240 1.3614
    angle_coeff @angle:c3-c-cc harmonic 63.240 118.000   # SOURCE4 21 0.9834
    angle_coeff @angle:c3-c-cd harmonic 63.500 117.020   # SOURCE4 25 1.4755
    angle_coeff @angle:c3-c-ce harmonic 63.470 116.250   # SOURCE4 188 1.1613
    angle_coeff @angle:c3-c-cf harmonic 63.300 116.860   # SOURCE4 45 1.5859
    angle_coeff @angle:c3-c-cg harmonic 64.260 115.000   # SOURCE2 1 0.0000
    angle_coeff @angle:c3-c-ch harmonic 64.260 115.000   # SOURCE2 1 same_as_c3-c-cg
    angle_coeff @angle:c3-c-cl harmonic 62.560 111.990   # SOURCE3 2 0.0125
    angle_coeff @angle:c3-c-f harmonic 66.930 110.700   # SOURCE2 1 0.0000
    angle_coeff @angle:c3-c-h4 harmonic 46.110 114.400   # SOURCE4 57 0.4032
    angle_coeff @angle:c3-c-ha harmonic 46.010 115.220   # SOURCE3 15 0.3181
    angle_coeff @angle:c3-c-i harmonic 56.870 112.940   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-c-n2 harmonic 66.620 114.530   # SOURCE3 1
    angle_coeff @angle:c3-c-n4 harmonic 64.610 112.260   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-c-n harmonic 67.860 115.150   # SOURCE3 153 2.7443
    angle_coeff @angle:c3-c-ne harmonic 68.090 111.390   # SOURCE4 11 2.1430
    angle_coeff @angle:c3-c-nf harmonic 67.430 113.380   # SOURCE3 1 same_as_c3-c-ne
    angle_coeff @angle:c3-c-o harmonic 68.030 123.110   # SOURCE3 267 3.0977
    angle_coeff @angle:c3-c-oh harmonic 69.840 112.200   # SOURCE3 14 1.8324
    angle_coeff @angle:c3-c-os harmonic 69.260 111.960   # SOURCE3 15 2.3072
    angle_coeff @angle:c3-c-p3 harmonic 58.900 116.420   # SOURCE3 3 0.1291
    angle_coeff @angle:c3-c-p5 harmonic 58.320 118.900   # SOURCE3 1
    angle_coeff @angle:c3-c-pe harmonic 58.620 114.850   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-c-pf harmonic 58.620 114.850   # SOURCE3 1 same_as_c3-c-pe
    angle_coeff @angle:c3-c-px harmonic 58.600 115.600   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-c-py harmonic 58.850 118.160   # SOURCE3 3 1.0735
    angle_coeff @angle:c3-c-s4 harmonic 75.480 114.790   # SOURCE3 1
    angle_coeff @angle:c3-c-s6 harmonic 75.500 114.720   # SOURCE3 1
    angle_coeff @angle:c3-c-s harmonic 78.510 123.730   # SOURCE3 9 1.4528
    angle_coeff @angle:c3-c-sh harmonic 78.430 114.210   # SOURCE3 3 2.3916
    angle_coeff @angle:c3-c-ss harmonic 78.990 114.320   # SOURCE3 5 2.7478
    angle_coeff @angle:c3-c-sx harmonic 75.280 113.970   # SOURCE3 3 0.0610
    angle_coeff @angle:c3-c-sy harmonic 75.800 114.280   # SOURCE3 3 0.7341
    angle_coeff @angle:ca-c-ca harmonic 63.030 118.580   # SOURCE4 144 2.1146
    angle_coeff @angle:ca-c-cc harmonic 64.370 115.570   # SOURCE4 175 1.7981
    angle_coeff @angle:ca-c-cd harmonic 63.940 117.130   # SOURCE4 82 1.7238
    angle_coeff @angle:ca-c-ce harmonic 63.290 118.610   # SOURCE4 30 1.3375
    angle_coeff @angle:ca-c-cf harmonic 62.800 120.470   # SOURCE4 6 1.3008
    angle_coeff @angle:ca-c-h4 harmonic 46.520 115.140   # SOURCE4 30 0.7320
    angle_coeff @angle:ca-c-ha harmonic 46.800 114.120   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-c-n harmonic 68.470 115.140   # SOURCE4 571 1.4648
    angle_coeff @angle:ca-c-ne harmonic 67.750 114.390   # SOURCE4 5 0.2958
    angle_coeff @angle:ca-c-o harmonic 68.670 123.440   # SOURCE3 18 2.5574
    angle_coeff @angle:ca-c-oh harmonic 70.110 113.440   # SOURCE4 222 0.8421
    angle_coeff @angle:ca-c-os harmonic 68.780 115.540   # SOURCE3 5 2.6708
    angle_coeff @angle:ca-c-s harmonic 79.130 123.040   # SOURCE4 12 0.7935
    angle_coeff @angle:ca-c-sh harmonic 77.270 118.630   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-c-ss harmonic 79.040 115.130   # SOURCE4 12 1.0069
    angle_coeff @angle:br-cc-c harmonic 63.980 115.680   # SOURCE4 8 0.4970
    angle_coeff @angle:br-cc-cc harmonic 61.820 124.890   # SOURCE4 8 1.9479
    angle_coeff @angle:br-cc-cd harmonic 62.260 124.560   # SOURCE4 32 2.4696
    angle_coeff @angle:br-cc-na harmonic 64.600 121.420   # SOURCE4 6 0.5507
    angle_coeff @angle:c2-cc-c3 harmonic 63.270 126.110   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-cc-ca harmonic 65.400 124.420   # SOURCE4 15 1.7107
    angle_coeff @angle:c2-cc-cc harmonic 66.340 121.390   # SOURCE4 29 2.2566
    angle_coeff @angle:c2-cc-cd harmonic 69.090 117.020   # SOURCE3 2 0.0703
    angle_coeff @angle:c2-cc-ha harmonic 48.690 122.720   # SOURCE3 2 0.0092
    angle_coeff @angle:c2-cc-n harmonic 67.740 126.900   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-cc-os harmonic 70.020 121.060   # SOURCE4 11 0.8179
    angle_coeff @angle:c-c-c3 harmonic 61.720 116.860   # SOURCE3 5 0.1653
    angle_coeff @angle:c3-cc-ca harmonic 61.830 126.430   # SOURCE4 119 1.7751
    angle_coeff @angle:c3-cc-cc harmonic 64.660 115.970   # SOURCE3 4 3.0507
    angle_coeff @angle:c3-cc-cd harmonic 64.810 119.450   # SOURCE3 35 8.2040
    angle_coeff @angle:c3-cc-cf harmonic 65.450 117.840   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-cc-ha harmonic 45.110 121.520   # SOURCE3 32 3.2091
    angle_coeff @angle:c3-cc-n2 harmonic 65.940 126.280   # SOURCE4 8 2.1234
    angle_coeff @angle:c3-cc-n harmonic 66.540 118.360   # SOURCE4 53 2.1705
    angle_coeff @angle:c3-cc-na harmonic 65.440 122.990   # SOURCE4 477 1.5214
    angle_coeff @angle:c3-cc-nc harmonic 65.880 121.000   # SOURCE4 66 0.8247
    angle_coeff @angle:c3-cc-nd harmonic 65.890 123.750   # SOURCE4 275 1.8941
    angle_coeff @angle:c3-cc-os harmonic 67.480 117.090   # SOURCE4 127 0.9464
    angle_coeff @angle:c3-cc-ss harmonic 77.460 121.680   # SOURCE4 145 0.8647
    angle_coeff @angle:c-c-c harmonic 62.300 111.680   # SOURCE3 2 6.1226
    angle_coeff @angle:c-c-ca harmonic 61.730 118.340   # SOURCE4 26 1.0692
    angle_coeff @angle:ca-cc-cc harmonic 67.660 111.040   # SOURCE3 9 7.9455
    angle_coeff @angle:ca-cc-cd harmonic 68.230 113.510   # SOURCE3 26 7.4229
    angle_coeff @angle:ca-cc-ce harmonic 62.580 127.870   # SOURCE4 11 1.7579
    angle_coeff @angle:ca-cc-h4 harmonic 45.570 128.660   # SOURCE3 10 3.1167
    angle_coeff @angle:ca-cc-ha harmonic 46.400 124.040   # SOURCE3 34 3.6691
    angle_coeff @angle:ca-cc-n harmonic 68.240 118.420   # SOURCE4 17 2.2100
    angle_coeff @angle:ca-cc-nc harmonic 67.790 120.310   # SOURCE4 46 0.6711
    angle_coeff @angle:ca-cc-nd harmonic 67.840 123.280   # SOURCE4 182 2.3863
    angle_coeff @angle:ca-cc-nh harmonic 67.460 122.450   # SOURCE4 9 1.4092
    angle_coeff @angle:ca-cc-oh harmonic 70.020 116.510   # SOURCE4 12 1.7855
    angle_coeff @angle:ca-cc-os harmonic 69.540 116.090   # SOURCE4 58 2.0472
    angle_coeff @angle:ca-cc-ss harmonic 78.690 120.980   # SOURCE4 28 1.8865
    angle_coeff @angle:c-cc-c2 harmonic 65.620 120.880   # SOURCE4 21 1.5157
    angle_coeff @angle:c-cc-c3 harmonic 64.900 112.750   # SOURCE3 4 0.2063
    angle_coeff @angle:c-cc-c harmonic 63.420 121.160   # SOURCE4 48 0.7193
    angle_coeff @angle:c-c-cc harmonic 64.020 111.670   # SOURCE3 4 5.5146
    angle_coeff @angle:c-cc-ca harmonic 63.550 122.950   # SOURCE3 1 0.0000
    angle_coeff @angle:c-cc-cc harmonic 63.720 122.690   # SOURCE3 2 0.0000
    angle_coeff @angle:cc-c-cc harmonic 64.820 115.970   # SOURCE4 37 1.4486
    angle_coeff @angle:cc-cc-cc harmonic 67.880 110.700   # SOURCE3 54 3.4091
    angle_coeff @angle:cc-cc-cd harmonic 68.160 114.190   # SOURCE3 517 6.5960
    angle_coeff @angle:cc-cc-ce harmonic 63.140 126.050   # SOURCE4 10 2.3332
    angle_coeff @angle:cc-cc-cf harmonic 65.650 123.920   # SOURCE3 1 0.0000
    angle_coeff @angle:cc-cc-cg harmonic 64.740 121.850   # SOURCE4 6 0.8146
    angle_coeff @angle:c-cc-cd harmonic 65.230 121.510   # SOURCE4 919 2.2603
    angle_coeff @angle:cc-c-cd harmonic 65.730 112.790   # SOURCE3 1 0.0000
    angle_coeff @angle:c-cc-ce harmonic 63.360 122.370   # SOURCE4 5 0.0254
    angle_coeff @angle:cc-c-ce harmonic 64.640 115.680   # SOURCE4 6 1.2033
    angle_coeff @angle:cc-cc-f harmonic 66.350 119.410   # SOURCE4 7 0.4917
    angle_coeff @angle:c-cc-cg harmonic 64.980 118.140   # SOURCE4 7 0.7745
    angle_coeff @angle:cc-cc-h4 harmonic 45.560 129.470   # SOURCE3 171 2.2734
    angle_coeff @angle:cc-cc-ha harmonic 47.460 119.260   # SOURCE4 506 1.6808
    angle_coeff @angle:c-cc-cl harmonic 62.790 116.010   # SOURCE4 19 0.9295
    angle_coeff @angle:cc-cc-n2 harmonic 69.460 121.150   # SOURCE3 6 0.4642
    angle_coeff @angle:cc-cc-n harmonic 67.950 119.890   # SOURCE3 36 0.2095
    angle_coeff @angle:cc-cc-na harmonic 72.210 106.800   # SOURCE3 33 0.6297
    angle_coeff @angle:cc-cc-nc harmonic 69.950 113.420   # SOURCE3 4 1.3957
    angle_coeff @angle:cc-cc-nd harmonic 71.150 112.560   # SOURCE3 141 4.2871
    angle_coeff @angle:cc-cc-nh harmonic 68.510 119.190   # SOURCE4 142 2.2114
    angle_coeff @angle:cc-cc-oh harmonic 69.230 119.670   # SOURCE4 10 2.3619
    angle_coeff @angle:cc-cc-os harmonic 69.380 117.090   # SOURCE4 99 2.4776
    angle_coeff @angle:cc-cc-pd harmonic 63.840 115.360   # SOURCE3 84 same_as_cd-cd-pc
    angle_coeff @angle:cc-cc-ss harmonic 80.780 115.020   # SOURCE3 2 0.0000
    angle_coeff @angle:cc-cc-sy harmonic 74.830 128.360   # SOURCE4 8 0.9813
    angle_coeff @angle:c-c-cd harmonic 64.020 111.670   # SOURCE3 4 5.5146
    angle_coeff @angle:cd-cc-cd harmonic 67.630 121.160   # SOURCE4 42 2.0764
    angle_coeff @angle:cd-cc-ce harmonic 63.480 129.500   # SOURCE4 139 2.1675
    angle_coeff @angle:cd-cc-cl harmonic 61.780 123.720   # SOURCE4 48 1.9010
    angle_coeff @angle:cd-cc-f harmonic 67.420 121.080   # SOURCE4 28 0.8788
    angle_coeff @angle:cd-cc-h4 harmonic 47.190 129.110   # SOURCE3 418 3.1355
    angle_coeff @angle:cd-cc-ha harmonic 48.350 122.890   # SOURCE3 584 2.9334
    angle_coeff @angle:cd-cc-n harmonic 70.720 115.520   # SOURCE3 52 1.3322
    angle_coeff @angle:cd-cc-na harmonic 72.910 109.420   # SOURCE3 265 2.6051
    angle_coeff @angle:cd-cc-nc harmonic 70.990 114.980   # SOURCE3 23 5.3935
    angle_coeff @angle:cd-cc-nh harmonic 68.380 125.040   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-cc-no harmonic 65.780 128.950   # SOURCE4 117 1.4740
    angle_coeff @angle:cd-cc-oh harmonic 69.580 124.030   # SOURCE4 59 1.2544
    angle_coeff @angle:cd-cc-os harmonic 69.960 120.300   # SOURCE3 64 5.4354
    angle_coeff @angle:cd-cc-ss harmonic 82.940 111.220   # SOURCE4 692 1.2683
    angle_coeff @angle:cd-cc-sy harmonic 76.410 125.160   # SOURCE4 19 1.1014
    angle_coeff @angle:ce-cc-na harmonic 66.420 124.140   # SOURCE4 40 1.5665
    angle_coeff @angle:ce-cc-nc harmonic 66.980 121.700   # SOURCE4 8 1.6500
    angle_coeff @angle:ce-cc-nd harmonic 67.220 123.910   # SOURCE4 11 1.1451
    angle_coeff @angle:ce-cc-os harmonic 68.210 119.170   # SOURCE4 59 0.7385
    angle_coeff @angle:ce-cc-ss harmonic 78.460 120.940   # SOURCE4 31 1.2422
    angle_coeff @angle:c-cc-f harmonic 66.160 116.870   # SOURCE4 16 0.5322
    angle_coeff @angle:cg-cc-na harmonic 67.510 122.350   # SOURCE4 5 0.8112
    angle_coeff @angle:cg-cc-ss harmonic 78.880 120.700   # SOURCE4 12 0.9090
    angle_coeff @angle:cc-c-h4 harmonic 47.130 115.450   # SOURCE4 5 0.8021
    angle_coeff @angle:c-cc-ha harmonic 46.990 117.020   # SOURCE3 56 1.9713
    angle_coeff @angle:cl-cc-na harmonic 63.840 121.610   # SOURCE4 12 0.3436
    angle_coeff @angle:cl-cc-nd harmonic 63.930 122.510   # SOURCE4 5 1.6568
    angle_coeff @angle:cl-cc-ss harmonic 79.050 119.850   # SOURCE4 11 1.0626
    angle_coeff @angle:c-cc-n2 harmonic 68.530 120.890   # SOURCE3 1 0.0000
    angle_coeff @angle:c-cc-n harmonic 68.110 116.330   # SOURCE4 20 1.9278
    angle_coeff @angle:cc-c-n harmonic 70.190 111.860   # SOURCE3 36 2.3407
    angle_coeff @angle:c-cc-nc harmonic 66.280 123.150   # SOURCE4 23 2.1612
    angle_coeff @angle:cc-c-nd harmonic 67.520 116.400   # SOURCE4 23 1.1407
    angle_coeff @angle:c-cc-nd harmonic 70.070 112.910   # SOURCE3 1 0.0000
    angle_coeff @angle:c-cc-ne harmonic 67.110 119.880   # SOURCE4 6 0.3139
    angle_coeff @angle:cc-c-o harmonic 68.910 125.710   # SOURCE3 66 2.4784
    angle_coeff @angle:c-cc-oh harmonic 70.150 113.450   # SOURCE4 35 1.3440
    angle_coeff @angle:cc-c-oh harmonic 71.160 112.580   # SOURCE4 50 0.7342
    angle_coeff @angle:c-cc-os harmonic 67.710 119.810   # SOURCE4 52 1.7157
    angle_coeff @angle:cc-c-os harmonic 70.500 112.300   # SOURCE3 6 2.7842
    angle_coeff @angle:cc-c-s harmonic 78.050 127.940   # SOURCE4 12 0.9342
    angle_coeff @angle:cc-c-ss harmonic 80.330 112.520   # SOURCE4 10 0.6933
    angle_coeff @angle:cx-cc-nd harmonic 65.680 127.750   # SOURCE4 12 1.7156
    angle_coeff @angle:cx-cc-os harmonic 68.010 118.080   # SOURCE4 10 0.0955
    angle_coeff @angle:cd-c-cd harmonic 64.770 116.170   # SOURCE4 19 1.1663
    angle_coeff @angle:cd-c-cx harmonic 63.880 117.460   # SOURCE4 13 0.1625
    angle_coeff @angle:cd-c-n harmonic 70.190 111.860   # SOURCE3 36 2.3407
    angle_coeff @angle:cd-c-nc harmonic 68.310 115.760   # SOURCE4 10 0.7131
    angle_coeff @angle:cd-c-nd harmonic 68.300 113.750   # SOURCE4 14 0.0860
    angle_coeff @angle:cd-c-o harmonic 68.910 125.710   # SOURCE3 66 2.4784
    angle_coeff @angle:cd-c-oh harmonic 70.770 113.840   # SOURCE4 35 1.1033
    angle_coeff @angle:cd-c-os harmonic 70.500 112.300   # SOURCE3 6 2.7842
    angle_coeff @angle:ce-c-ce harmonic 64.340 115.790   # SOURCE4 73 0.4467
    angle_coeff @angle:ce-c-cf harmonic 64.040 116.890   # SOURCE4 11 1.6021
    angle_coeff @angle:ce-c-cx harmonic 63.950 116.250   # SOURCE4 6 0.6351
    angle_coeff @angle:ce-c-h4 harmonic 46.930 114.880   # SOURCE4 19 0.3355
    angle_coeff @angle:ce-c-ha harmonic 46.930 115.220   # SOURCE3 7 2.4188
    angle_coeff @angle:ce-c-n harmonic 68.880 115.010   # SOURCE3 2 0.5478
    angle_coeff @angle:ce-c-o harmonic 69.270 122.920   # SOURCE3 17 3.5085
    angle_coeff @angle:ce-c-oh harmonic 70.250 114.300   # SOURCE4 94 1.5074
    angle_coeff @angle:ce-c-os harmonic 70.050 112.620   # SOURCE4 125 2.0061
    angle_coeff @angle:ce-c-s harmonic 81.120 117.800   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-c-ss harmonic 80.920 110.390   # SOURCE4 5 0.6050
    angle_coeff @angle:cf-c-cf harmonic 64.070 116.780   # SOURCE3 1 same_as_ce-c-ce
    angle_coeff @angle:cf-c-ha harmonic 46.930 115.220   # SOURCE3 7 same_as_ce-c-ha
    angle_coeff @angle:cf-c-n harmonic 68.800 115.290   # SOURCE4 30 1.1758
    angle_coeff @angle:cf-c-o harmonic 69.270 122.920   # SOURCE3 17 3.5085
    angle_coeff @angle:cf-c-oh harmonic 70.490 113.530   # SOURCE4 34 2.1382
    angle_coeff @angle:cf-c-os harmonic 70.720 110.510   # SOURCE4 24 0.9128
    angle_coeff @angle:cf-c-s harmonic 81.120 117.800   # SOURCE3 1 same_as_ce-c-s
    angle_coeff @angle:cg-c-cg harmonic 65.440 115.380   # SOURCE3 1 0.0000
    angle_coeff @angle:cg-c-ha harmonic 47.800 113.900   # SOURCE2 1 0.0000
    angle_coeff @angle:cg-c-o harmonic 70.210 122.310   # SOURCE3 2 0.0000
    angle_coeff @angle:c-c-h4 harmonic 44.620 116.360   # SOURCE4 5 0.5586
    angle_coeff @angle:h4-cc-n harmonic 50.390 117.620   # SOURCE3 53 0.9721
    angle_coeff @angle:h4-cc-na harmonic 50.220 119.660   # SOURCE3 294 2.4702
    angle_coeff @angle:h4-cc-nc harmonic 50.000 120.030   # SOURCE3 16 2.3863
    angle_coeff @angle:h4-cc-nd harmonic 51.390 119.110   # SOURCE3 135 1.6946
    angle_coeff @angle:h4-cc-os harmonic 52.270 111.890   # SOURCE3 61 2.3500
    angle_coeff @angle:h4-cc-ss harmonic 54.360 117.750   # SOURCE3 40 3.1156
    angle_coeff @angle:h5-cc-n harmonic 50.870 115.610   # SOURCE4 10 0.8505
    angle_coeff @angle:h5-cc-na harmonic 49.760 122.100   # SOURCE3 16 1.4626
    angle_coeff @angle:h5-cc-nc harmonic 49.290 123.700   # SOURCE3 6 0.3547
    angle_coeff @angle:h5-cc-nd harmonic 50.130 125.380   # SOURCE3 40 2.2157
    angle_coeff @angle:h5-cc-os harmonic 51.300 116.330   # SOURCE3 12 3.2919
    angle_coeff @angle:h5-cc-ss harmonic 53.390 122.000   # SOURCE3 6 0.7237
    angle_coeff @angle:c-c-ha harmonic 44.850 115.430   # SOURCE2 3 0.6549
    angle_coeff @angle:ha-cc-na harmonic 49.820 121.500   # SOURCE2 1 0.0000
    angle_coeff @angle:ha-cc-nc harmonic 50.730 116.540   # SOURCE3 5 1.4482
    angle_coeff @angle:ha-cc-nd harmonic 51.410 118.880   # SOURCE3 20 2.8923
    angle_coeff @angle:ha-cc-os harmonic 52.490 110.860   # SOURCE3 7 1.3846
    angle_coeff @angle:ha-cc-pd harmonic 42.350 121.760   # SOURCE3 84 same_as_ha-cd-pc
    angle_coeff @angle:ha-cc-ss harmonic 53.490 121.640   # SOURCE2 5 1.3276
    angle_coeff @angle:ch-c-ch harmonic 65.440 115.380   # SOURCE3 1 same_as_cg-c-cg
    angle_coeff @angle:ch-c-ha harmonic 47.800 113.900   # SOURCE2 1 same_as_cg-c-ha
    angle_coeff @angle:ch-c-o harmonic 70.210 122.310   # SOURCE3 2 same_as_cg-c-o
    angle_coeff @angle:cl-c-cl harmonic 63.330 111.300   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-c-f harmonic 63.490 112.000   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-c-ha harmonic 43.460 109.900   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-c-o harmonic 64.280 121.510   # SOURCE3 6 1.6987
    angle_coeff @angle:cl-c-s harmonic 77.210 127.600   # SOURCE2 1 0.0000
    angle_coeff @angle:c-c-n harmonic 67.530 112.140   # SOURCE4 53 2.1247
    angle_coeff @angle:na-cc-nc harmonic 70.660 121.830   # SOURCE4 169 1.0340
    angle_coeff @angle:na-cc-nd harmonic 74.780 112.020   # SOURCE3 17 2.2434
    angle_coeff @angle:na-cc-no harmonic 68.480 124.900   # SOURCE4 48 0.7933
    angle_coeff @angle:na-cc-oh harmonic 73.310 117.260   # SOURCE4 16 0.9090
    angle_coeff @angle:na-cc-sx harmonic 80.050 117.040   # SOURCE4 13 0.4187
    angle_coeff @angle:na-cc-sy harmonic 79.760 120.550   # SOURCE4 7 1.7547
    angle_coeff @angle:n-cc-c harmonic 68.190 116.060   # SOURCE3 1 0.0000
    angle_coeff @angle:nc-cc-nd harmonic 72.510 118.690   # SOURCE3 9 6.6642
    angle_coeff @angle:nc-cc-nh harmonic 72.700 115.660   # SOURCE4 12 1.0083
    angle_coeff @angle:nc-cc-no harmonic 69.310 121.540   # SOURCE4 7 0.9221
    angle_coeff @angle:nc-cc-ss harmonic 81.790 119.860   # SOURCE3 2 0.0000
    angle_coeff @angle:nd-cc-nd harmonic 70.880 128.170   # SOURCE4 7 0.0269
    angle_coeff @angle:nd-cc-ne harmonic 69.290 129.660   # SOURCE4 7 0.4306
    angle_coeff @angle:nd-cc-nh harmonic 72.410 120.110   # SOURCE3 5 0.9313
    angle_coeff @angle:nd-cc-no harmonic 69.900 122.680   # SOURCE4 16 0.3393
    angle_coeff @angle:nd-cc-oh harmonic 72.800 122.190   # SOURCE4 11 0.7091
    angle_coeff @angle:nd-cc-os harmonic 74.240 115.060   # SOURCE4 109 2.3512
    angle_coeff @angle:nd-cc-sh harmonic 79.410 124.920   # SOURCE4 5 0.9563
    angle_coeff @angle:nd-cc-ss harmonic 84.180 114.510   # SOURCE3 8 0.3449
    angle_coeff @angle:nd-cc-sx harmonic 76.960 127.600   # SOURCE4 14 1.1650
    angle_coeff @angle:nd-cc-sy harmonic 79.280 123.080   # SOURCE4 13 1.0531
    angle_coeff @angle:ne-cc-ss harmonic 82.750 116.990   # SOURCE4 7 0.1657
    angle_coeff @angle:nh-cc-nh harmonic 72.930 115.960   # SOURCE3 1 0.0000
    angle_coeff @angle:nh-cc-os harmonic 72.780 117.270   # SOURCE4 13 0.7995
    angle_coeff @angle:nh-cc-ss harmonic 81.210 122.040   # SOURCE4 80 1.2781
    angle_coeff @angle:n-cc-n2 harmonic 74.770 114.480   # SOURCE4 15 2.3208
    angle_coeff @angle:n-cc-na harmonic 70.450 122.180   # SOURCE4 46 2.2856
    angle_coeff @angle:n-cc-nc harmonic 70.960 120.010   # SOURCE4 10 1.5583
    angle_coeff @angle:n-cc-nd harmonic 71.200 122.710   # SOURCE4 141 1.6659
    angle_coeff @angle:n-cc-nh harmonic 72.220 116.850   # SOURCE4 32 0.7619
    angle_coeff @angle:no-cc-os harmonic 71.010 117.590   # SOURCE4 62 0.2199
    angle_coeff @angle:no-cc-ss harmonic 80.690 121.100   # SOURCE4 10 0.0957
    angle_coeff @angle:n-cc-ss harmonic 80.680 123.050   # SOURCE4 38 1.0101
    angle_coeff @angle:c-c-o harmonic 67.160 120.990   # SOURCE4 233 2.0333
    angle_coeff @angle:c-c-oh harmonic 68.200 113.230   # SOURCE3 5 0.5615
    angle_coeff @angle:c-c-os harmonic 68.180 111.390   # SOURCE4 14 0.4038
    angle_coeff @angle:os-cc-ss harmonic 78.460 132.010   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-cc-ss harmonic 100.050 121.280   # SOURCE4 20 2.4461
    angle_coeff @angle:ss-cc-sy harmonic 98.380 121.770   # SOURCE4 20 0.4970
    angle_coeff @angle:cx-c-cx harmonic 85.450 64.600   # SOURCE2 1 0.0000
    angle_coeff @angle:cx-c-n harmonic 68.690 114.490   # SOURCE4 23 1.4914
    angle_coeff @angle:cx-c-o harmonic 68.880 122.820   # SOURCE4 97 2.2075
    angle_coeff @angle:cx-c-oh harmonic 70.490 112.320   # SOURCE4 10 0.6413
    angle_coeff @angle:cx-c-os harmonic 70.060 111.480   # SOURCE4 16 1.3998
    angle_coeff @angle:cy-c-cy harmonic 70.140 90.550   # SOURCE2 2 2.4500
    angle_coeff @angle:cy-c-n harmonic 75.430 91.540   # SOURCE4 249 0.5104
    angle_coeff @angle:cy-c-o harmonic 64.270 135.040   # SOURCE4 253 1.3450
    angle_coeff @angle:cy-c-oh harmonic 69.090 112.480   # SOURCE4 5 1.0793
    angle_coeff @angle:cy-c-os harmonic 74.550 94.890   # SOURCE4 8 0.6016
    angle_coeff @angle:c2-cd-c3 harmonic 63.270 126.110   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-cd-ca harmonic 64.430 128.220   # SOURCE3 1 same_as_c2-cc-ca
    angle_coeff @angle:c2-cd-cc harmonic 69.090 117.020   # SOURCE3 2 same_as_c2-cc-cd
    angle_coeff @angle:c2-cd-cd harmonic 65.270 125.410   # SOURCE3 3 2.0867
    angle_coeff @angle:c2-cd-ha harmonic 48.690 122.720   # SOURCE3 2 same_as_c2-cc-ha
    angle_coeff @angle:c2-cd-n harmonic 67.740 126.900   # SOURCE3 1 same_as_c2-cc-n
    angle_coeff @angle:c2-cd-os harmonic 70.530 119.310   # SOURCE3 2 same_as_c2-cc-os
    angle_coeff @angle:c3-cd-ca harmonic 64.050 117.810   # SOURCE3 8 same_as_c3-cc-ca
    angle_coeff @angle:c3-cd-cc harmonic 64.810 119.450   # SOURCE3 35 8.2040
    angle_coeff @angle:c3-cd-cd harmonic 64.660 115.970   # SOURCE3 4 3.0507
    angle_coeff @angle:c3-cd-ce harmonic 65.260 117.840   # SOURCE3 1 same_as_c3-cc-cf
    angle_coeff @angle:c3-cd-ha harmonic 45.110 121.520   # SOURCE3 32 3.2091
    angle_coeff @angle:c3-cd-n2 harmonic 64.650 131.550   # SOURCE3 1 same_as_c3-cc-n2
    angle_coeff @angle:c3-cd-n harmonic 65.600 121.760   # SOURCE4 15 1.7884
    angle_coeff @angle:c3-cd-na harmonic 65.670 122.140   # SOURCE4 155 1.5600
    angle_coeff @angle:c3-cd-nc harmonic 66.940 119.910   # SOURCE4 200 1.6430
    angle_coeff @angle:c3-cd-nd harmonic 65.900 120.920   # SOURCE4 243 0.8832
    angle_coeff @angle:c3-cd-os harmonic 67.630 116.540   # SOURCE4 76 0.6353
    angle_coeff @angle:c3-cd-ss harmonic 77.510 121.530   # SOURCE4 26 1.4478
    angle_coeff @angle:ca-cd-cc harmonic 68.230 113.510   # SOURCE3 26 7.4229
    angle_coeff @angle:ca-cd-cd harmonic 67.660 111.040   # SOURCE3 9 7.9455
    angle_coeff @angle:ca-cd-ce harmonic 65.000 125.100   # SOURCE4 9 1.9265
    angle_coeff @angle:ca-cd-h4 harmonic 45.570 128.660   # SOURCE3 10 3.1167
    angle_coeff @angle:ca-cd-ha harmonic 46.400 124.040   # SOURCE3 34 3.6691
    angle_coeff @angle:ca-cd-n harmonic 72.510 104.870   # SOURCE3 1 same_as_ca-cc-n
    angle_coeff @angle:ca-cd-na harmonic 67.030 123.450   # SOURCE4 39 1.9138
    angle_coeff @angle:ca-cd-nc harmonic 70.230 115.050   # SOURCE3 6 4.3938
    angle_coeff @angle:ca-cd-nd harmonic 67.650 120.810   # SOURCE4 116 1.2165
    angle_coeff @angle:ca-cd-oh harmonic 69.080 119.320   # SOURCE4 9 1.2731
    angle_coeff @angle:ca-cd-os harmonic 70.040 114.450   # SOURCE4 76 2.2248
    angle_coeff @angle:ca-cd-ss harmonic 79.130 119.640   # SOURCE4 15 1.8842
    angle_coeff @angle:c-cd-c2 harmonic 65.380 121.760   # SOURCE3 1 same_as_c-cc-c2
    angle_coeff @angle:c-cd-c3 harmonic 63.560 117.570   # SOURCE4 122 1.4868
    angle_coeff @angle:c-cd-c harmonic 63.410 121.180   # SOURCE4 16 1.9017
    angle_coeff @angle:c-cd-ca harmonic 63.550 122.950   # SOURCE3 1 same_as_c-cc-ca
    angle_coeff @angle:c-cd-cc harmonic 65.280 121.320   # SOURCE4 789 2.4126
    angle_coeff @angle:cc-cd-cc harmonic 68.010 119.800   # SOURCE4 91 1.1370
    angle_coeff @angle:cc-cd-cd harmonic 68.160 114.190   # SOURCE3 517 6.5960
    angle_coeff @angle:cc-cd-cf harmonic 64.080 126.280   # SOURCE4 71 2.2936
    angle_coeff @angle:cc-cd-ch harmonic 64.920 126.050   # SOURCE4 30 1.4695
    angle_coeff @angle:cc-cd-cl harmonic 61.810 123.620   # SOURCE4 14 1.9282
    angle_coeff @angle:cc-cd-cy harmonic 63.930 122.130   # SOURCE4 10 0.8509
    angle_coeff @angle:c-cd-cd harmonic 63.720 122.690   # SOURCE3 2 0.0000
    angle_coeff @angle:c-cd-cf harmonic 63.000 123.100   # SOURCE4 5 2.3108
    angle_coeff @angle:cc-cd-h4 harmonic 47.190 129.110   # SOURCE3 418 3.1355
    angle_coeff @angle:cc-cd-ha harmonic 48.350 122.890   # SOURCE3 584 2.9334
    angle_coeff @angle:c-cd-cl harmonic 62.750 116.190   # SOURCE4 5 1.0839
    angle_coeff @angle:cc-cd-n harmonic 70.720 115.520   # SOURCE3 52 1.3322
    angle_coeff @angle:cc-cd-na harmonic 72.910 109.420   # SOURCE3 265 2.6051
    angle_coeff @angle:cc-cd-nc harmonic 69.420 123.820   # SOURCE4 14 0.3678
    angle_coeff @angle:cc-cd-nd harmonic 72.030 111.680   # SOURCE4 1078 1.9168
    angle_coeff @angle:cc-cd-nh harmonic 68.700 123.880   # SOURCE4 105 2.2114
    angle_coeff @angle:cc-cd-oh harmonic 69.540 123.710   # SOURCE4 47 1.3029
    angle_coeff @angle:cc-cd-os harmonic 69.960 120.300   # SOURCE3 64 5.4354
    angle_coeff @angle:cc-cd-ss harmonic 82.380 112.740   # SOURCE4 192 2.2341
    angle_coeff @angle:cc-cd-sy harmonic 76.890 124.690   # SOURCE4 22 0.6891
    angle_coeff @angle:cd-cd-cd harmonic 67.880 110.700   # SOURCE3 54 3.4091
    angle_coeff @angle:cd-cd-ce harmonic 65.800 122.560   # SOURCE4 38 1.7758
    angle_coeff @angle:cd-cd-cf harmonic 62.580 127.560   # SOURCE4 32 2.4879
    angle_coeff @angle:cd-cd-ch harmonic 63.320 127.380   # SOURCE4 21 0.9462
    angle_coeff @angle:cd-cd-cy harmonic 63.170 120.930   # SOURCE4 6 1.2205
    angle_coeff @angle:cd-cd-h4 harmonic 45.560 129.470   # SOURCE3 171 2.2734
    angle_coeff @angle:cd-cd-ha harmonic 47.020 121.510   # SOURCE4 1245 2.1421
    angle_coeff @angle:cd-cd-n2 harmonic 69.520 121.150   # SOURCE3 6 0.4642
    angle_coeff @angle:cd-cd-n harmonic 67.950 119.890   # SOURCE3 36 0.2095
    angle_coeff @angle:cd-cd-na harmonic 72.210 106.800   # SOURCE3 33 same_as_cc-cc-na
    angle_coeff @angle:cd-cd-nc harmonic 71.150 112.560   # SOURCE3 141 4.2871
    angle_coeff @angle:cd-cd-nd harmonic 67.440 122.020   # SOURCE4 101 2.1232
    angle_coeff @angle:cd-cd-nh harmonic 68.260 120.050   # SOURCE4 86 1.2878
    angle_coeff @angle:cd-cd-oh harmonic 68.090 123.300   # SOURCE4 17 2.3237
    angle_coeff @angle:cd-cd-os harmonic 69.300 117.360   # SOURCE4 112 1.9292
    angle_coeff @angle:cd-cd-pc harmonic 63.840 115.360   # SOURCE3 84 3.2889
    angle_coeff @angle:cd-cd-ss harmonic 78.930 120.470   # SOURCE4 29 1.6911
    angle_coeff @angle:ce-cd-nd harmonic 68.130 124.900   # SOURCE4 5 2.3975
    angle_coeff @angle:cf-cd-na harmonic 66.090 124.600   # SOURCE4 8 1.6033
    angle_coeff @angle:cf-cd-nc harmonic 67.940 120.490   # SOURCE4 26 1.3524
    angle_coeff @angle:cf-cd-nd harmonic 66.910 121.180   # SOURCE4 29 1.3143
    angle_coeff @angle:cf-cd-os harmonic 68.380 117.800   # SOURCE4 7 1.1308
    angle_coeff @angle:cf-cd-ss harmonic 77.470 123.670   # SOURCE4 7 1.5823
    angle_coeff @angle:c-cd-h4 harmonic 46.770 118.190   # SOURCE4 8 0.2226
    angle_coeff @angle:c-cd-ha harmonic 46.990 117.020   # SOURCE3 56 1.9713
    angle_coeff @angle:cl-cd-nc harmonic 63.230 125.300   # SOURCE3 1 same_as_cl-cc-nd
    angle_coeff @angle:c-cd-n2 harmonic 68.580 120.890   # SOURCE3 1 same_as_c-cc-n2
    angle_coeff @angle:c-cd-n harmonic 68.190 116.060   # SOURCE3 1 same_as_n-cc-c
    angle_coeff @angle:c-cd-nc harmonic 67.450 121.860   # SOURCE4 46 2.4699
    angle_coeff @angle:c-cd-nd harmonic 64.310 130.800   # SOURCE3 1 0.0000
    angle_coeff @angle:c-cd-oh harmonic 69.870 114.020   # SOURCE4 18 0.9546
    angle_coeff @angle:c-cd-os harmonic 68.070 118.550   # SOURCE4 26 2.1350
    angle_coeff @angle:h4-cd-n harmonic 50.390 117.620   # SOURCE3 53 0.9721
    angle_coeff @angle:h4-cd-na harmonic 50.220 119.660   # SOURCE3 294 2.4702
    angle_coeff @angle:h4-cd-nc harmonic 51.390 119.110   # SOURCE3 135 1.6946
    angle_coeff @angle:h4-cd-nd harmonic 50.000 120.030   # SOURCE3 16 2.3863
    angle_coeff @angle:h4-cd-os harmonic 52.270 111.890   # SOURCE3 61 2.3500
    angle_coeff @angle:h4-cd-ss harmonic 54.360 117.750   # SOURCE3 40 3.1156
    angle_coeff @angle:h5-cd-n harmonic 50.820 115.830   # SOURCE4 10 0.2888
    angle_coeff @angle:h5-cd-na harmonic 49.760 122.100   # SOURCE3 16 1.4626
    angle_coeff @angle:h5-cd-nc harmonic 50.130 125.380   # SOURCE3 40 2.2157
    angle_coeff @angle:h5-cd-nd harmonic 49.290 123.700   # SOURCE3 6 0.3547
    angle_coeff @angle:h5-cd-os harmonic 51.300 116.330   # SOURCE3 12 3.2919
    angle_coeff @angle:h5-cd-ss harmonic 53.390 122.000   # SOURCE3 6 0.7237
    angle_coeff @angle:ha-cd-na harmonic 49.820 121.500   # SOURCE2 1 same_as_ha-cc-na
    angle_coeff @angle:ha-cd-nc harmonic 51.410 118.880   # SOURCE3 20 2.8923
    angle_coeff @angle:ha-cd-nd harmonic 50.730 116.540   # SOURCE3 5 1.4482
    angle_coeff @angle:ha-cd-os harmonic 52.490 110.860   # SOURCE3 7 1.3846
    angle_coeff @angle:ha-cd-pc harmonic 42.350 121.760   # SOURCE3 84 2.2216
    angle_coeff @angle:ha-cd-ss harmonic 53.490 121.640   # SOURCE2 5 same_as_ha-cc-ss
    angle_coeff @angle:na-cd-nc harmonic 74.780 112.020   # SOURCE3 17 2.2434
    angle_coeff @angle:na-cd-nd harmonic 70.890 121.040   # SOURCE4 62 1.4580
    angle_coeff @angle:na-cd-nh harmonic 72.430 116.980   # SOURCE4 46 1.4937
    angle_coeff @angle:na-cd-ss harmonic 84.890 111.460   # SOURCE4 20 0.8600
    angle_coeff @angle:nc-cd-nd harmonic 73.390 115.840   # SOURCE4 213 1.4060
    angle_coeff @angle:nc-cd-nh harmonic 72.410 120.110   # SOURCE3 5 0.9313
    angle_coeff @angle:nc-cd-oh harmonic 73.040 120.890   # SOURCE4 11 1.5340
    angle_coeff @angle:nc-cd-os harmonic 73.420 117.640   # SOURCE4 100 1.8409
    angle_coeff @angle:nc-cd-ss harmonic 84.180 114.510   # SOURCE3 8 0.3449
    angle_coeff @angle:nd-cd-nd harmonic 69.470 125.580   # SOURCE4 13 0.4672
    angle_coeff @angle:nd-cd-nh harmonic 72.140 117.470   # SOURCE4 23 1.5450
    angle_coeff @angle:nd-cd-ss harmonic 81.790 119.860   # SOURCE3 2 same_as_nc-cc-ss
    angle_coeff @angle:nh-cd-nh harmonic 72.930 115.960   # SOURCE3 1 same_as_nh-cc-nh
    angle_coeff @angle:nh-cd-os harmonic 73.160 116.070   # SOURCE4 12 0.5342
    angle_coeff @angle:nh-cd-ss harmonic 81.480 121.220   # SOURCE4 11 1.1514
    angle_coeff @angle:n-cd-na harmonic 70.500 122.010   # SOURCE4 13 1.2061
    angle_coeff @angle:n-cd-nc harmonic 70.990 123.410   # SOURCE4 88 0.9565
    angle_coeff @angle:n-cd-nd harmonic 69.060 126.700   # SOURCE4 54 0.3231
    angle_coeff @angle:n-cd-nh harmonic 72.210 116.880   # SOURCE4 47 0.3458
    angle_coeff @angle:n-cd-ss harmonic 80.730 122.890   # SOURCE4 7 1.1978
    angle_coeff @angle:oh-cd-os harmonic 75.470 111.610   # SOURCE4 6 1.1909
    angle_coeff @angle:os-cd-ss harmonic 78.460 132.010   # SOURCE3 1 same_as_os-cc-ss
    angle_coeff @angle:ss-cd-ss harmonic 99.630 122.300   # SOURCE3 2 same_as_ss-cc-ss
    angle_coeff @angle:ss-cd-sy harmonic 98.720 121.620   # SOURCE4 19 0.4931
    angle_coeff @angle:c2-ce-c3 harmonic 64.300 122.890   # SOURCE3 7 1.0449
    angle_coeff @angle:c2-ce-ca harmonic 65.160 123.080   # SOURCE3 6 2.1589
    angle_coeff @angle:c2-ce-cc harmonic 65.550 123.840   # SOURCE4 49 2.1264
    angle_coeff @angle:c2-ce-ce harmonic 65.730 123.080   # SOURCE3 12 0.6518
    angle_coeff @angle:c2-ce-cg harmonic 66.680 121.580   # SOURCE4 18 1.3663
    angle_coeff @angle:c2-ce-cl harmonic 62.220 119.510   # SOURCE4 24 1.4963
    angle_coeff @angle:c2-ce-h4 harmonic 48.640 125.580   # SOURCE4 11 0.9381
    angle_coeff @angle:c2-ce-ha harmonic 49.560 121.100   # SOURCE3 46 2.4054
    angle_coeff @angle:c2-ce-n1 harmonic 72.730 117.850   # SOURCE4 7 0.3180
    angle_coeff @angle:c2-ce-n2 harmonic 70.340 128.700   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-ce-na harmonic 69.290 119.190   # SOURCE4 5 0.8452
    angle_coeff @angle:c2-ce-ne harmonic 69.730 118.320   # SOURCE3 7 1.0468
    angle_coeff @angle:c2-ce-oh harmonic 70.180 123.780   # SOURCE4 10 1.8182
    angle_coeff @angle:c2-ce-p2 harmonic 61.560 118.240   # SOURCE3 1
    angle_coeff @angle:c2-ce-pe harmonic 61.300 118.760   # SOURCE3 8 2.3984
    angle_coeff @angle:c2-ce-px harmonic 60.970 119.720   # SOURCE3 6 0.5213
    angle_coeff @angle:c2-ce-py harmonic 61.150 122.130   # SOURCE3 5 3.1367
    angle_coeff @angle:c2-ce-sx harmonic 78.010 119.870   # SOURCE3 5 0.8557
    angle_coeff @angle:c2-ce-sy harmonic 78.410 120.350   # SOURCE3 5 0.5401
    angle_coeff @angle:c3-ce-ca harmonic 62.810 119.110   # SOURCE4 127 1.8824
    angle_coeff @angle:c3-ce-cc harmonic 63.490 118.180   # SOURCE4 22 1.7743
    angle_coeff @angle:c3-ce-ce harmonic 63.910 116.590   # SOURCE4 175 1.6539
    angle_coeff @angle:c3-ce-cf harmonic 64.510 122.180   # SOURCE4 119 2.0632
    angle_coeff @angle:c3-ce-cg harmonic 63.790 118.480   # SOURCE4 8 1.4756
    angle_coeff @angle:c3-ce-n2 harmonic 66.940 122.640   # SOURCE4 76 2.0781
    angle_coeff @angle:c3-ce-nf harmonic 67.240 120.750   # SOURCE4 6 2.1938
    angle_coeff @angle:c3-ce-nh harmonic 65.740 119.900   # SOURCE4 5 0.9634
    angle_coeff @angle:ca-ce-ca harmonic 63.870 117.820   # SOURCE4 100 0.9790
    angle_coeff @angle:ca-ce-cc harmonic 64.120 118.640   # SOURCE4 12 0.8455
    angle_coeff @angle:ca-ce-ce harmonic 63.840 119.620   # SOURCE4 14 1.9171
    angle_coeff @angle:ca-ce-cf harmonic 64.090 127.310   # SOURCE4 132 1.9691
    angle_coeff @angle:ca-ce-cl harmonic 62.350 114.220   # SOURCE4 6 1.3164
    angle_coeff @angle:ca-ce-h4 harmonic 46.710 116.860   # SOURCE4 74 0.9179
    angle_coeff @angle:ca-ce-ha harmonic 47.080 115.120   # SOURCE4 210 1.0763
    angle_coeff @angle:ca-ce-n2 harmonic 68.510 120.720   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-ce-nf harmonic 67.770 122.500   # SOURCE4 11 2.3863
    angle_coeff @angle:ca-ce-nh harmonic 67.850 115.510   # SOURCE4 93 0.9284
    angle_coeff @angle:ca-ce-oh harmonic 68.500 117.180   # SOURCE4 5 0.5951
    angle_coeff @angle:ca-ce-os harmonic 68.570 115.580   # SOURCE4 8 1.0735
    angle_coeff @angle:ca-ce-ss harmonic 77.470 117.730   # SOURCE4 5 1.1596
    angle_coeff @angle:c-ce-c2 harmonic 65.820 120.420   # SOURCE3 13 1.8877
    angle_coeff @angle:c-ce-c3 harmonic 63.430 116.630   # SOURCE4 169 2.4309
    angle_coeff @angle:c-ce-c harmonic 62.550 122.540   # SOURCE4 22 1.3987
    angle_coeff @angle:c-ce-ca harmonic 63.790 117.980   # SOURCE4 8 1.5129
    angle_coeff @angle:cc-ce-cd harmonic 63.280 130.360   # SOURCE4 5 2.3402
    angle_coeff @angle:cc-ce-cf harmonic 65.060 125.790   # SOURCE4 39 1.5227
    angle_coeff @angle:c-ce-cd harmonic 63.740 126.070   # SOURCE3 1 same_as_c-cf-cc
    angle_coeff @angle:c-ce-ce harmonic 63.460 120.890   # SOURCE4 16 1.8719
    angle_coeff @angle:c-ce-cf harmonic 64.260 126.410   # SOURCE3 2 5.7847
    angle_coeff @angle:c-ce-cg harmonic 64.570 118.320   # SOURCE4 15 1.0595
    angle_coeff @angle:cc-ce-h4 harmonic 47.610 115.400   # SOURCE4 29 0.8744
    angle_coeff @angle:cc-ce-ha harmonic 47.630 115.360   # SOURCE4 66 0.9385
    angle_coeff @angle:c-ce-cl harmonic 62.010 115.400   # SOURCE4 6 1.0958
    angle_coeff @angle:cc-ce-n2 harmonic 68.910 121.690   # SOURCE4 52 2.2459
    angle_coeff @angle:cc-ce-nh harmonic 67.360 119.170   # SOURCE4 8 2.1378
    angle_coeff @angle:c-ce-cy harmonic 72.720 88.220   # SOURCE4 19 0.3234
    angle_coeff @angle:cd-ce-ce harmonic 65.140 122.940   # SOURCE4 6 0.3490
    angle_coeff @angle:cd-ce-ha harmonic 49.760 115.940   # SOURCE4 23 1.6379
    angle_coeff @angle:ce-ce-ce harmonic 64.550 118.740   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-ce-cf harmonic 65.490 124.050   # SOURCE4 166 1.7004
    angle_coeff @angle:ce-ce-cl harmonic 61.600 117.930   # SOURCE4 12 0.2639
    angle_coeff @angle:ce-ce-h4 harmonic 47.060 118.000   # SOURCE4 10 0.8551
    angle_coeff @angle:ce-ce-ha harmonic 47.500 115.900   # SOURCE3 12 0.4670
    angle_coeff @angle:ce-ce-n1 harmonic 66.840 127.150   # SOURCE3 2 same_as_cf-cf-n1
    angle_coeff @angle:ce-ce-n2 harmonic 68.520 123.000   # SOURCE3 2 0.0000
    angle_coeff @angle:ce-ce-oh harmonic 69.180 116.890   # SOURCE4 11 2.0380
    angle_coeff @angle:cf-ce-cg harmonic 66.060 123.940   # SOURCE4 21 1.4852
    angle_coeff @angle:cf-ce-cy harmonic 60.530 137.740   # SOURCE4 13 0.3952
    angle_coeff @angle:cf-ce-h4 harmonic 49.030 123.760   # SOURCE4 5 1.0909
    angle_coeff @angle:cf-ce-ha harmonic 50.180 118.290   # SOURCE4 299 1.3038
    angle_coeff @angle:cf-ce-n1 harmonic 72.090 120.030   # SOURCE4 6 1.9451
    angle_coeff @angle:cf-ce-n harmonic 72.630 108.180   # SOURCE4 54 0.5772
    angle_coeff @angle:cf-ce-nh harmonic 69.450 121.520   # SOURCE4 12 2.0106
    angle_coeff @angle:cf-ce-oh harmonic 70.830 121.620   # SOURCE4 12 0.5995
    angle_coeff @angle:cg-ce-cg harmonic 65.510 118.510   # SOURCE4 6 0.9614
    angle_coeff @angle:cg-ce-ha harmonic 47.910 116.610   # SOURCE4 12 0.3943
    angle_coeff @angle:cg-ce-n1 harmonic 69.540 119.500   # SOURCE2 1 0.0000
    angle_coeff @angle:cg-ce-n2 harmonic 69.590 121.430   # SOURCE4 6 0.8382
    angle_coeff @angle:c-ce-ha harmonic 46.590 117.260   # SOURCE3 11 2.7158
    angle_coeff @angle:c-ce-n harmonic 66.170 118.730   # SOURCE4 129 1.5548
    angle_coeff @angle:c-ce-nh harmonic 67.880 115.220   # SOURCE4 18 2.4886
    angle_coeff @angle:c-ce-oh harmonic 68.230 117.920   # SOURCE4 5 1.4580
    angle_coeff @angle:c-ce-os harmonic 69.050 113.780   # SOURCE4 21 1.8258
    angle_coeff @angle:h4-ce-n1 harmonic 52.650 116.360   # SOURCE4 7 0.2182
    angle_coeff @angle:h4-ce-n2 harmonic 52.370 121.520   # SOURCE4 105 1.2900
    angle_coeff @angle:h4-ce-ne harmonic 49.720 115.810   # SOURCE4 7 1.9836
    angle_coeff @angle:ha-ce-n1 harmonic 52.770 115.960   # SOURCE3 2 same_as_ha-cf-n1
    angle_coeff @angle:ha-ce-n2 harmonic 52.850 119.510   # SOURCE3 2 0.4623
    angle_coeff @angle:ha-ce-ne harmonic 49.160 118.590   # SOURCE3 5 1.1113
    angle_coeff @angle:ha-ce-nh harmonic 50.580 114.990   # SOURCE3 1 0.0000
    angle_coeff @angle:ha-ce-p2 harmonic 40.610 120.110   # SOURCE3 1
    angle_coeff @angle:ha-ce-pe harmonic 40.640 119.330   # SOURCE3 6 0.8966
    angle_coeff @angle:ha-ce-px harmonic 40.810 117.900   # SOURCE3 6 0.1809
    angle_coeff @angle:ha-ce-py harmonic 41.340 118.720   # SOURCE3 3 0.3064
    angle_coeff @angle:ha-ce-sx harmonic 52.960 115.450   # SOURCE3 3 0.6640
    angle_coeff @angle:ha-ce-sy harmonic 53.580 114.860   # SOURCE3 3 0.4717
    angle_coeff @angle:n2-ce-nh harmonic 71.550 124.860   # SOURCE4 83 2.0415
    angle_coeff @angle:n2-ce-os harmonic 74.520 118.130   # SOURCE4 6 0.1367
    angle_coeff @angle:n2-ce-ss harmonic 81.510 117.230   # SOURCE4 6 2.0518
    angle_coeff @angle:ne-ce-ne harmonic 68.070 123.870   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-ce-nh harmonic 71.870 112.910   # SOURCE4 12 1.1263
    angle_coeff @angle:nf-ce-nh harmonic 73.250 118.130   # SOURCE4 6 0.5842
    angle_coeff @angle:pe-ce-pe harmonic 57.690 129.790   # SOURCE3 1 0.0000
    angle_coeff @angle:py-ce-py harmonic 64.070 108.060   # SOURCE3 1 0.0000
    angle_coeff @angle:sx-ce-sx harmonic 97.090 120.320   # SOURCE3 1 0.0000
    angle_coeff @angle:sy-ce-sy harmonic 98.050 119.970   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-cf-c3 harmonic 64.300 122.890   # SOURCE3 7 same_as_c2-ce-c3
    angle_coeff @angle:c2-cf-ca harmonic 65.160 123.080   # SOURCE3 6 same_as_c2-ce-ca
    angle_coeff @angle:c2-cf-cd harmonic 65.810 122.050   # SOURCE4 23 1.7894
    angle_coeff @angle:c2-cf-cf harmonic 65.730 123.080   # SOURCE3 12 same_as_c2-ce-ce
    angle_coeff @angle:c2-cf-ch harmonic 66.510 122.220   # SOURCE3 3 same_as_c2-ce-cg
    angle_coeff @angle:c2-cf-ha harmonic 49.560 121.100   # SOURCE3 46 same_as_c2-ce-ha
    angle_coeff @angle:c2-cf-n2 harmonic 70.340 128.700   # SOURCE3 1 same_as_c2-ce-n2
    angle_coeff @angle:c2-cf-nf harmonic 69.730 118.320   # SOURCE3 7 same_as_c2-ce-ne
    angle_coeff @angle:c2-cf-p2 harmonic 61.560 118.240   # SOURCE3 1 same_as_c2-ce-p2
    angle_coeff @angle:c2-cf-pf harmonic 61.300 118.760   # SOURCE3 8 same_as_c2-ce-pe
    angle_coeff @angle:c2-cf-px harmonic 60.970 119.720   # SOURCE3 6 same_as_c2-ce-px
    angle_coeff @angle:c2-cf-py harmonic 61.150 122.130   # SOURCE3 5 same_as_c2-ce-py
    angle_coeff @angle:c2-cf-sx harmonic 78.010 119.870   # SOURCE3 5 same_as_c2-ce-sx
    angle_coeff @angle:c2-cf-sy harmonic 78.410 120.350   # SOURCE3 5 same_as_c2-ce-sy
    angle_coeff @angle:c3-cf-ca harmonic 62.650 119.700   # SOURCE4 51 1.2029
    angle_coeff @angle:c3-cf-cd harmonic 63.300 118.280   # SOURCE4 17 0.8680
    angle_coeff @angle:c3-cf-ce harmonic 64.550 122.030   # SOURCE4 102 1.9728
    angle_coeff @angle:c3-cf-cf harmonic 63.520 118.010   # SOURCE4 69 0.9443
    angle_coeff @angle:c3-cf-n2 harmonic 66.670 123.650   # SOURCE4 5 1.9155
    angle_coeff @angle:ca-cf-ca harmonic 64.500 115.530   # SOURCE4 12 0.5692
    angle_coeff @angle:ca-cf-cc harmonic 62.810 130.800   # SOURCE4 12 1.2696
    angle_coeff @angle:ca-cf-cd harmonic 64.490 116.650   # SOURCE4 5 0.8685
    angle_coeff @angle:ca-cf-ce harmonic 64.050 127.440   # SOURCE4 186 1.8735
    angle_coeff @angle:ca-cf-ha harmonic 47.060 115.210   # SOURCE4 135 0.9402
    angle_coeff @angle:ca-cf-n2 harmonic 68.510 120.720   # SOURCE3 1 same_as_ca-ce-n2
    angle_coeff @angle:ca-cf-ne harmonic 67.710 122.810   # SOURCE4 11 2.3913
    angle_coeff @angle:ca-cf-oh harmonic 69.220 115.690   # SOURCE4 6 0.8381
    angle_coeff @angle:c-cf-c2 harmonic 65.820 120.420   # SOURCE3 13 same_as_c-ce-c2
    angle_coeff @angle:c-cf-c3 harmonic 62.670 119.470   # SOURCE4 19 1.2665
    angle_coeff @angle:c-cf-c harmonic 63.510 118.850   # SOURCE3 1 same_as_c-ce-c
    angle_coeff @angle:c-cf-cc harmonic 63.930 126.070   # SOURCE3 1 0.0000
    angle_coeff @angle:cc-cf-cf harmonic 64.530 126.040   # SOURCE4 6 1.0648
    angle_coeff @angle:c-cf-cd harmonic 64.140 117.760   # SOURCE4 10 1.2451
    angle_coeff @angle:c-cf-ce harmonic 64.260 126.410   # SOURCE3 2 same_as_c-ce-cf
    angle_coeff @angle:cc-cf-ha harmonic 50.290 114.810   # SOURCE4 16 0.9788
    angle_coeff @angle:cd-cf-ce harmonic 64.650 126.530   # SOURCE4 49 2.0998
    angle_coeff @angle:cd-cf-ha harmonic 47.360 115.570   # SOURCE4 47 0.8973
    angle_coeff @angle:cd-cf-n2 harmonic 69.140 120.020   # SOURCE4 17 2.4566
    angle_coeff @angle:ce-cf-cf harmonic 65.420 124.330   # SOURCE4 175 1.6942
    angle_coeff @angle:ce-cf-ch harmonic 66.150 123.630   # SOURCE4 20 1.3910
    angle_coeff @angle:ce-cf-ha harmonic 50.240 117.980   # SOURCE4 356 1.4772
    angle_coeff @angle:ce-cf-n harmonic 72.320 108.630   # SOURCE4 10 1.2271
    angle_coeff @angle:ce-cf-oh harmonic 71.100 121.930   # SOURCE4 12 1.6250
    angle_coeff @angle:cf-cf-cf harmonic 64.550 118.740   # SOURCE3 1 same_as_ce-ce-ce
    angle_coeff @angle:cf-cf-h4 harmonic 47.050 117.940   # SOURCE4 9 0.8559
    angle_coeff @angle:cf-cf-ha harmonic 47.500 115.900   # SOURCE3 12 0.4670
    angle_coeff @angle:cf-cf-n1 harmonic 66.650 127.150   # SOURCE3 2 2.1936
    angle_coeff @angle:cf-cf-n2 harmonic 69.760 118.660   # SOURCE4 11 1.2238
    angle_coeff @angle:c-cf-ha harmonic 46.590 117.260   # SOURCE3 11 2.7158
    angle_coeff @angle:ch-cf-ch harmonic 66.000 116.750   # SOURCE3 1 same_as_cg-ce-cg
    angle_coeff @angle:ch-cf-ha harmonic 47.950 116.400   # SOURCE4 6 0.3381
    angle_coeff @angle:ch-cf-n1 harmonic 69.330 119.500   # SOURCE2 1 same_as_cg-ce-n1
    angle_coeff @angle:c-cf-n2 harmonic 70.160 114.880   # SOURCE4 5 1.3647
    angle_coeff @angle:c-cf-n harmonic 66.600 116.790   # SOURCE4 8 0.8255
    angle_coeff @angle:c-cf-nh harmonic 65.940 122.760   # SOURCE3 1 same_as_c-ce-nh
    angle_coeff @angle:f-c-f harmonic 72.220 107.350   # SOURCE2 2 0.2500
    angle_coeff @angle:h4-cf-n2 harmonic 52.210 122.140   # SOURCE4 11 0.9297
    angle_coeff @angle:h4-cf-ne harmonic 52.280 120.210   # SOURCE4 6 0.8104
    angle_coeff @angle:ha-cf-n1 harmonic 52.480 115.960   # SOURCE3 2 3.5425
    angle_coeff @angle:ha-cf-n2 harmonic 52.850 119.510   # SOURCE3 2 same_as_ha-ce-n2
    angle_coeff @angle:ha-cf-nf harmonic 49.160 118.590   # SOURCE3 5 same_as_ha-ce-ne
    angle_coeff @angle:ha-cf-nh harmonic 50.850 114.990   # SOURCE3 1 same_as_ha-ce-nh
    angle_coeff @angle:ha-cf-p2 harmonic 40.610 120.110   # SOURCE3 1 same_as_ha-ce-p2
    angle_coeff @angle:ha-cf-pf harmonic 40.640 119.330   # SOURCE3 6 same_as_ha-ce-pe
    angle_coeff @angle:ha-cf-px harmonic 40.810 117.900   # SOURCE3 6 same_as_ha-ce-px
    angle_coeff @angle:ha-cf-py harmonic 41.340 118.720   # SOURCE3 3 same_as_ha-ce-py
    angle_coeff @angle:ha-cf-sx harmonic 52.960 115.450   # SOURCE3 3 same_as_ha-ce-sx
    angle_coeff @angle:ha-cf-sy harmonic 53.580 114.860   # SOURCE3 3 same_as_ha-ce-sy
    angle_coeff @angle:n2-cf-nh harmonic 71.540 125.890   # SOURCE4 9 1.5587
    angle_coeff @angle:nf-cf-nf harmonic 68.070 123.870   # SOURCE3 1 same_as_ne-ce-ne
    angle_coeff @angle:f-c-o harmonic 73.210 123.440   # SOURCE3 1
    angle_coeff @angle:pf-cf-pf harmonic 57.690 129.790   # SOURCE3 1 same_as_pe-ce-pe
    angle_coeff @angle:py-cf-py harmonic 64.070 108.060   # SOURCE3 1 same_as_py-ce-py
    angle_coeff @angle:f-c-s harmonic 80.250 124.000   # SOURCE2 1 0.0000
    angle_coeff @angle:sx-cf-sx harmonic 97.090 120.320   # SOURCE3 1 same_as_sx-ce-sx
    angle_coeff @angle:sy-cf-sy harmonic 98.050 119.970   # SOURCE3 1 same_as_sy-ce-sy
    angle_coeff @angle:c1-cg-ca harmonic 56.530 179.460   # SOURCE4 17 0.3461
    angle_coeff @angle:c1-cg-cc harmonic 56.970 178.600   # SOURCE4 6 0.3822
    angle_coeff @angle:c1-cg-ce harmonic 56.960 178.000   # SOURCE4 6 0.4324
    angle_coeff @angle:c1-cg-cg harmonic 58.180 179.660   # SOURCE4 16 0.1241
    angle_coeff @angle:c1-cg-ne harmonic 62.730 170.020   # SOURCE3 4 1.1724
    angle_coeff @angle:c1-cg-pe harmonic 56.730 173.290   # SOURCE3 11 4.9305
    angle_coeff @angle:ca-cg-ch harmonic 56.940 179.490   # SOURCE4 5 0.3022
    angle_coeff @angle:ca-cg-n1 harmonic 58.930 179.420   # SOURCE4 102 0.6923
    angle_coeff @angle:c-cg-c1 harmonic 56.190 179.140   # SOURCE3 2 0.0000
    angle_coeff @angle:cc-cg-n1 harmonic 59.440 178.460   # SOURCE4 24 0.7137
    angle_coeff @angle:ce-cg-ch harmonic 57.380 177.980   # SOURCE4 9 0.4223
    angle_coeff @angle:ce-cg-n1 harmonic 59.410 177.890   # SOURCE4 45 1.1337
    angle_coeff @angle:n1-cg-ne harmonic 65.040 174.070   # SOURCE4 14 1.2208
    angle_coeff @angle:h4-c-o harmonic 54.280 120.930   # SOURCE4 129 0.5769
    angle_coeff @angle:h5-c-n harmonic 52.390 112.190   # SOURCE4 33 0.4220
    angle_coeff @angle:h5-c-o harmonic 53.890 123.260   # SOURCE4 38 0.4806
    angle_coeff @angle:ha-c-ha harmonic 37.860 115.610   # SOURCE3 4 0.0458
    angle_coeff @angle:ha-c-i harmonic 36.710 110.580   # SOURCE3 1 0.0000
    angle_coeff @angle:ha-c-n harmonic 52.400 112.370   # SOURCE3 4 0.6424
    angle_coeff @angle:ha-c-o harmonic 54.270 121.940   # SOURCE3 51 2.3235
    angle_coeff @angle:ha-c-oh harmonic 53.970 111.820   # SOURCE3 4 1.9375
    angle_coeff @angle:ha-c-os harmonic 53.240 110.340   # SOURCE3 8 1.9344
    angle_coeff @angle:ha-c-s harmonic 56.030 119.560   # SOURCE3 3 0.7586
    angle_coeff @angle:c1-ch-ca harmonic 56.450 180.000   # SOURCE3 2 same_as_c1-cg-ca
    angle_coeff @angle:c1-ch-cf harmonic 56.900 178.320   # SOURCE3 1 same_as_c1-cg-ce
    angle_coeff @angle:c1-ch-ch harmonic 58.120 180.000   # SOURCE3 2 same_as_c1-cg-cg
    angle_coeff @angle:c1-ch-nf harmonic 62.730 170.020   # SOURCE3 4 same_as_c1-cg-ne
    angle_coeff @angle:c1-ch-pf harmonic 56.730 173.290   # SOURCE3 11 same_as_c1-cg-pe
    angle_coeff @angle:ca-ch-cg harmonic 56.900 179.740   # SOURCE4 8 0.2890
    angle_coeff @angle:ca-ch-n1 harmonic 58.830 180.000   # SOURCE3 1 same_as_ca-cg-n1
    angle_coeff @angle:c-ch-c1 harmonic 56.190 179.140   # SOURCE3 2 same_as_c-cg-c1
    angle_coeff @angle:cd-ch-n1 harmonic 59.410 178.620   # SOURCE4 26 0.2919
    angle_coeff @angle:cf-ch-cg harmonic 57.400 177.900   # SOURCE4 8 0.4883
    angle_coeff @angle:cf-ch-n1 harmonic 59.370 178.120   # SOURCE4 22 1.5200
    angle_coeff @angle:cg-ch-ch harmonic 58.680 179.670   # SOURCE4 7 0.1439
    angle_coeff @angle:n1-ch-nf harmonic 64.660 176.170   # SOURCE2 3 same_as_n1-cg-ne
    angle_coeff @angle:i-c-i harmonic 59.790 116.450   # SOURCE3 1 0.0000
    angle_coeff @angle:i-c-o harmonic 55.510 122.020   # SOURCE3 4 1.2961
    angle_coeff @angle:f-cl-f harmonic 50.000 87.500   # SOURCE2 1 estimated_force_constant
    angle_coeff @angle:n2-c-n2 harmonic 71.830 110.310   # SOURCE3 1
    angle_coeff @angle:n2-c-o harmonic 73.020 122.500   # SOURCE3 1
    angle_coeff @angle:n4-c-n4 harmonic 64.710 114.640   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-c-o harmonic 69.580 118.830   # SOURCE3 4 3.8516
    angle_coeff @angle:nc-c-o harmonic 74.050 123.980   # SOURCE4 66 0.9502
    angle_coeff @angle:nd-c-o harmonic 73.720 121.760   # SOURCE4 55 1.1138
    angle_coeff @angle:ne-c-ne harmonic 73.220 110.310   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-c-o harmonic 72.940 126.030   # SOURCE4 39 0.9885
    angle_coeff @angle:nf-c-nf harmonic 73.070 110.310   # SOURCE3 1 same_as_ne-c-ne
    angle_coeff @angle:nf-c-o harmonic 73.320 124.390   # SOURCE3 3 same_as_ne-c-o
    angle_coeff @angle:n-c-n harmonic 74.800 113.380   # SOURCE4 635 1.4358
    angle_coeff @angle:n-c-nc harmonic 72.690 117.050   # SOURCE4 54 0.7020
    angle_coeff @angle:n-c-nd harmonic 71.900 117.060   # SOURCE4 23 0.9856
    angle_coeff @angle:n-c-ne harmonic 74.440 110.370   # SOURCE4 10 1.7492
    angle_coeff @angle:n-c-o harmonic 75.830 122.030   # SOURCE3 221 2.3565
    angle_coeff @angle:n-c-oh harmonic 76.220 113.630   # SOURCE4 5 1.1209
    angle_coeff @angle:no-c-no harmonic 66.540 109.280   # SOURCE3 1
    angle_coeff @angle:no-c-o harmonic 67.950 125.360   # SOURCE3 1
    angle_coeff @angle:n-c-os harmonic 76.680 109.280   # SOURCE4 318 0.8749
    angle_coeff @angle:n-c-s harmonic 83.180 123.880   # SOURCE3 5 1.2935
    angle_coeff @angle:n-c-sh harmonic 83.030 112.610   # SOURCE4 8 1.2601
    angle_coeff @angle:n-c-ss harmonic 84.610 110.420   # SOURCE4 59 1.5507
    angle_coeff @angle:oh-c-oh harmonic 78.910 110.560   # SOURCE3 2 0.5498
    angle_coeff @angle:oh-c-s harmonic 84.340 123.440   # SOURCE3 1 0.0000
    angle_coeff @angle:o-c-o harmonic 78.170 130.380   # SOURCE4 429 1.0315
    angle_coeff @angle:o-c-oh harmonic 77.380 122.880   # SOURCE3 33 2.1896
    angle_coeff @angle:o-c-os harmonic 75.930 123.330   # SOURCE4 1708 1.0632
    angle_coeff @angle:o-c-p2 harmonic 59.770 123.100   # SOURCE3 1
    angle_coeff @angle:o-c-p3 harmonic 60.900 120.790   # SOURCE3 1
    angle_coeff @angle:o-c-p5 harmonic 60.850 121.200   # SOURCE4 8 1.2117
    angle_coeff @angle:o-c-pe harmonic 59.440 123.020   # SOURCE3 3 0.1404
    angle_coeff @angle:o-c-pf harmonic 59.440 123.020   # SOURCE3 3 same_as_o-c-pe
    angle_coeff @angle:o-c-px harmonic 60.640 119.100   # SOURCE3 1 0.0000
    angle_coeff @angle:o-c-py harmonic 61.200 121.710   # SOURCE4 5 0.3133
    angle_coeff @angle:o-c-s4 harmonic 77.510 121.150   # SOURCE3 1
    angle_coeff @angle:o-c-s6 harmonic 78.060 119.450   # SOURCE3 1
    angle_coeff @angle:o-c-s harmonic 86.330 120.440   # SOURCE3 2 0.0000
    angle_coeff @angle:o-c-sh harmonic 81.240 121.410   # SOURCE3 4 1.4052
    angle_coeff @angle:os-c-os harmonic 76.450 111.380   # SOURCE4 12 0.8309
    angle_coeff @angle:o-c-ss harmonic 81.780 122.290   # SOURCE3 7 1.9240
    angle_coeff @angle:os-c-s harmonic 83.310 125.030   # SOURCE4 18 0.9978
    angle_coeff @angle:os-c-ss harmonic 83.910 113.630   # SOURCE4 5 0.7367
    angle_coeff @angle:o-c-sx harmonic 76.880 121.150   # SOURCE3 5 3.6452
    angle_coeff @angle:o-c-sy harmonic 78.310 119.320   # SOURCE3 5 2.4495
    angle_coeff @angle:p2-c-p2 harmonic 58.960 113.750   # SOURCE3 1
    angle_coeff @angle:p3-c-p3 harmonic 58.400 118.040   # SOURCE3 1 0.0000
    angle_coeff @angle:p3-c-py harmonic 67.140 90.080   # SOURCE3 1 0.0000
    angle_coeff @angle:p5-c-p5 harmonic 57.080 123.760   # SOURCE3 1
    angle_coeff @angle:ca-cp-ca harmonic 67.250 118.330   # SOURCE4 521 0.6228
    angle_coeff @angle:ca-cp-cp harmonic 64.140 121.140   # SOURCE4 979 1.4462
    angle_coeff @angle:ca-cp-na harmonic 68.850 119.430   # SOURCE4 21 0.6591
    angle_coeff @angle:ca-cp-nb harmonic 69.270 121.650   # SOURCE4 63 0.6564
    angle_coeff @angle:cp-cp-cp harmonic 72.200 90.000   # SOURCE3 4 0.0000
    angle_coeff @angle:cp-cp-cq harmonic 62.640 124.480   # SOURCE4 5 1.9038
    angle_coeff @angle:cp-cp-nb harmonic 68.050 116.600   # SOURCE4 88 1.1887
    angle_coeff @angle:pe-c-pe harmonic 58.620 113.770   # SOURCE3 1 0.0000
    angle_coeff @angle:pf-c-pf harmonic 58.620 113.770   # SOURCE3 1 same_as_pe-c-pe
    angle_coeff @angle:nb-cp-nb harmonic 71.310 125.720   # SOURCE4 5 0.6674
    angle_coeff @angle:py-c-py harmonic 57.520 123.800   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-cq-ca harmonic 67.000 118.240   # SOURCE4 5 0.2181
    angle_coeff @angle:ca-cq-cq harmonic 64.220 120.410   # SOURCE4 12 1.4029
    angle_coeff @angle:ca-cq-nb harmonic 69.270 121.650   # SOURCE4 63 same as ca-cp-nb
    angle_coeff @angle:cp-cq-cq harmonic 62.640 124.470   # SOURCE4 5 1.0864
    angle_coeff @angle:cq-cq-cq harmonic 72.200 90.000   # SOURCE3 4 0.0000
    angle_coeff @angle:cq-cq-nb harmonic 68.050 116.600   # SOURCE4 88 same as cp-cp-nb
    angle_coeff @angle:s4-c-s4 harmonic 98.110 108.810   # SOURCE3 1
    angle_coeff @angle:s6-c-s6 harmonic 95.130 115.750   # SOURCE3 1
    angle_coeff @angle:sh-c-sh harmonic 100.060 115.330   # SOURCE3 1 0.0000
    angle_coeff @angle:s-c-s harmonic 104.130 120.400   # SOURCE3 2 1.2766
    angle_coeff @angle:s-c-sh harmonic 99.770 122.760   # SOURCE4 11 1.5734
    angle_coeff @angle:s-c-ss harmonic 99.130 125.900   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-c-ss harmonic 102.180 113.000   # SOURCE3 1 0.0000
    angle_coeff @angle:sx-c-sx harmonic 97.340 108.800   # SOURCE3 1 0.0000
    angle_coeff @angle:sy-c-sy harmonic 95.370 115.780   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-cu-cx harmonic 58.560 148.210   # SOURCE4 6 1.8305
    angle_coeff @angle:c-cu-cu harmonic 94.970 62.600   # SOURCE2 1 0.0000
    angle_coeff @angle:cu-cu-cx harmonic 100.970 50.800   # SOURCE2 1 0.0000
    angle_coeff @angle:cu-cu-ha harmonic 46.110 147.730   # SOURCE2 3 2.0950
    angle_coeff @angle:cv-cv-cy harmonic 73.280 94.170   # SOURCE3 2 0.0000
    angle_coeff @angle:cv-cv-ha harmonic 47.300 133.700   # SOURCE3 2 0.0000
    angle_coeff @angle:cx-cv-cx harmonic 84.660 63.900   # SOURCE2 1 0.0000
    angle_coeff @angle:cy-cv-ha harmonic 42.890 132.140   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-cx-cx harmonic 63.100 120.660   # SOURCE4 9 0.9067
    angle_coeff @angle:c2-cx-cx harmonic 62.330 120.540   # SOURCE4 51 2.2377
    angle_coeff @angle:c2-cx-h1 harmonic 46.630 115.780   # SOURCE4 8 0.2332
    angle_coeff @angle:c2-cx-hc harmonic 46.770 115.100   # SOURCE4 12 0.7463
    angle_coeff @angle:c2-cx-os harmonic 67.140 116.170   # SOURCE4 14 1.2782
    angle_coeff @angle:c3-cx-c3 harmonic 63.000 114.480   # SOURCE4 46 1.9627
    angle_coeff @angle:c3-cx-cx harmonic 61.820 120.060   # SOURCE4 448 2.1467
    angle_coeff @angle:c3-cx-h1 harmonic 45.870 115.420   # SOURCE4 89 1.1096
    angle_coeff @angle:c3-cx-hc harmonic 46.120 114.160   # SOURCE4 85 1.1118
    angle_coeff @angle:c3-cx-n3 harmonic 64.310 118.500   # SOURCE4 17 2.4897
    angle_coeff @angle:c3-cx-os harmonic 66.570 115.500   # SOURCE4 161 1.3016
    angle_coeff @angle:ca-cx-cx harmonic 61.860 122.180   # SOURCE4 65 1.6898
    angle_coeff @angle:ca-cx-h1 harmonic 46.810 114.570   # SOURCE4 7 0.6498
    angle_coeff @angle:ca-cx-hc harmonic 47.050 113.410   # SOURCE4 18 0.7843
    angle_coeff @angle:ca-cx-oh harmonic 69.250 112.930   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-cx-os harmonic 66.420 118.500   # SOURCE4 6 0.7514
    angle_coeff @angle:c-cx-c3 harmonic 62.910 116.930   # SOURCE4 18 1.8253
    angle_coeff @angle:cc-cx-cx harmonic 63.040 118.970   # SOURCE4 30 0.7725
    angle_coeff @angle:cc-cx-hc harmonic 47.440 113.840   # SOURCE4 15 0.6682
    angle_coeff @angle:c-cx-cx harmonic 62.960 117.960   # SOURCE4 147 1.8483
    angle_coeff @angle:cd-cx-cx harmonic 62.450 120.460   # SOURCE4 9 0.8796
    angle_coeff @angle:c-cx-h1 harmonic 46.270 117.250   # SOURCE4 24 0.7935
    angle_coeff @angle:c-cx-hc harmonic 46.420 116.530   # SOURCE4 36 1.2830
    angle_coeff @angle:cl-cx-cl harmonic 62.910 114.200   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-cx-cx harmonic 60.790 120.100   # SOURCE4 15 0.5917
    angle_coeff @angle:cl-cx-h1 harmonic 43.410 111.430   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-cx-hc harmonic 42.580 115.800   # SOURCE2 1 0.0000
    angle_coeff @angle:c-cx-os harmonic 67.250 115.590   # SOURCE4 36 0.8227
    angle_coeff @angle:cu-cx-cu harmonic 91.530 54.600   # SOURCE2 1 0.0000
    angle_coeff @angle:cu-cx-cx harmonic 88.720 58.500   # SOURCE4 7 0.1333
    angle_coeff @angle:cu-cx-hc harmonic 45.490 118.090   # SOURCE4 7 1.0126
    angle_coeff @angle:cx-cx-cx harmonic 87.900 60.000   # SOURCE4 681 0.6259
    angle_coeff @angle:cx-cx-cy harmonic 67.540 100.530   # SOURCE3 4 0.0000
    angle_coeff @angle:cx-cx-f harmonic 64.530 117.930   # SOURCE4 7 1.1613
    angle_coeff @angle:cx-cx-h1 harmonic 45.450 119.660   # SOURCE3 12 0.4529
    angle_coeff @angle:cx-cx-hc harmonic 45.790 117.920   # SOURCE3 92 1.1927
    angle_coeff @angle:cx-cx-hx harmonic 45.470 119.620   # SOURCE4 9 0.1118
    angle_coeff @angle:cx-cx-n3 harmonic 91.170 59.590   # SOURCE4 154 0.3104
    angle_coeff @angle:cx-cx-na harmonic 62.940 125.850   # SOURCE4 16 2.0385
    angle_coeff @angle:cx-cx-nh harmonic 92.030 59.150   # SOURCE4 116 0.6758
    angle_coeff @angle:cx-cx-os harmonic 93.610 59.070   # SOURCE4 306 0.5253
    angle_coeff @angle:cy-cx-hc harmonic 43.980 125.430   # SOURCE3 2 0.0000
    angle_coeff @angle:f-cx-f harmonic 70.610 106.900   # SOURCE2 2 1.4000
    angle_coeff @angle:f-cx-h1 harmonic 50.350 111.680   # SOURCE3 1 0.0000
    angle_coeff @angle:f-cx-hc harmonic 50.220 112.300   # SOURCE2 1 0.0000
    angle_coeff @angle:h1-cx-h1 harmonic 38.380 115.450   # SOURCE4 230 0.3302
    angle_coeff @angle:h1-cx-n3 harmonic 47.970 116.430   # SOURCE4 173 1.4531
    angle_coeff @angle:h1-cx-n harmonic 49.060 115.420   # SOURCE4 12 1.0443
    angle_coeff @angle:h1-cx-na harmonic 49.960 108.670   # SOURCE4 8 1.6134
    angle_coeff @angle:h1-cx-nh harmonic 48.500 116.320   # SOURCE4 151 1.0310
    angle_coeff @angle:h1-cx-os harmonic 50.010 115.170   # SOURCE3 8 0.0226
    angle_coeff @angle:h2-cx-h2 harmonic 37.870 119.430   # SOURCE3 1 0.0000
    angle_coeff @angle:h2-cx-n2 harmonic 47.550 117.180   # SOURCE3 4 0.0000
    angle_coeff @angle:hc-cx-hc harmonic 38.580 114.470   # SOURCE3 19 0.3295
    angle_coeff @angle:hc-cx-os harmonic 50.250 114.100   # SOURCE2 1 0.0000
    angle_coeff @angle:hx-cx-n4 harmonic 47.620 114.470   # SOURCE4 8 0.1059
    angle_coeff @angle:n2-cx-n2 harmonic 102.060 50.160   # SOURCE3 1 0.0000
    angle_coeff @angle:n-cx-oh harmonic 70.160 119.750   # SOURCE3 2 0.0000
    angle_coeff @angle:n-cx-os harmonic 92.710 65.980   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-cx-oh harmonic 76.670 107.850   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-cx-os harmonic 71.640 118.120   # SOURCE3 4 1.3581
    angle_coeff @angle:os-cx-os harmonic 70.900 115.840   # SOURCE4 7 2.0760
    angle_coeff @angle:c2-cy-cy harmonic 66.570 100.400   # SOURCE2 1 0.0000
    angle_coeff @angle:c3-cy-c3 harmonic 63.190 111.580   # SOURCE4 15 1.0060
    angle_coeff @angle:c3-cy-cy harmonic 60.760 118.700   # SOURCE4 293 1.8510
    angle_coeff @angle:c3-cy-h1 harmonic 46.160 111.770   # SOURCE4 119 0.4412
    angle_coeff @angle:c3-cy-hc harmonic 46.210 111.550   # SOURCE3 5 0.6276
    angle_coeff @angle:c3-cy-n3 harmonic 65.280 112.920   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-cy-n harmonic 68.320 104.050   # SOURCE4 122 0.5745
    angle_coeff @angle:c3-cy-os harmonic 66.990 111.960   # SOURCE4 11 1.0668
    angle_coeff @angle:c-cy-c3 harmonic 61.780 116.720   # SOURCE4 129 0.5236
    angle_coeff @angle:cc-cy-cy harmonic 60.440 121.790   # SOURCE4 6 0.2155
    angle_coeff @angle:c-cy-cy harmonic 71.810 84.990   # SOURCE4 263 0.6952
    angle_coeff @angle:cd-cy-cy harmonic 60.650 120.880   # SOURCE4 13 0.5333
    angle_coeff @angle:ce-cy-h2 harmonic 45.500 117.250   # SOURCE4 17 0.5351
    angle_coeff @angle:ce-cy-n harmonic 74.690 88.020   # SOURCE4 14 0.1416
    angle_coeff @angle:ce-cy-ss harmonic 74.010 121.330   # SOURCE4 13 0.1599
    angle_coeff @angle:c-cy-h1 harmonic 45.890 113.100   # SOURCE4 71 0.7655
    angle_coeff @angle:c-cy-hc harmonic 45.750 113.850   # SOURCE3 8 0.2067
    angle_coeff @angle:cl-cy-cy harmonic 61.910 112.000   # SOURCE3 2 0.0000
    angle_coeff @angle:cl-cy-h1 harmonic 44.060 106.590   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-cy-hc harmonic 42.600 114.000   # SOURCE2 1 0.0000
    angle_coeff @angle:c-cy-n harmonic 64.320 117.390   # SOURCE4 70 1.0742
    angle_coeff @angle:c-cy-os harmonic 66.270 114.420   # SOURCE4 6 1.2052
    angle_coeff @angle:cv-cy-cy harmonic 71.460 86.670   # SOURCE4 6 1.1600
    angle_coeff @angle:cv-cy-hc harmonic 46.060 114.470   # SOURCE4 7 0.4307
    angle_coeff @angle:cx-cy-cy harmonic 66.080 101.230   # SOURCE3 4 0.0000
    angle_coeff @angle:cx-cy-hc harmonic 45.250 118.300   # SOURCE2 3 5.7799
    angle_coeff @angle:cy-cy-cy harmonic 70.160 87.610   # SOURCE3 32 1.5407
    angle_coeff @angle:cy-cy-f harmonic 64.550 112.870   # SOURCE4 13 1.6772
    angle_coeff @angle:cy-cy-h1 harmonic 44.870 114.840   # SOURCE3 20 2.5651
    angle_coeff @angle:cy-cy-h2 harmonic 44.510 116.770   # SOURCE4 83 0.8683
    angle_coeff @angle:cy-cy-hc harmonic 44.820 115.140   # SOURCE3 114 0.8364
    angle_coeff @angle:cy-cy-n3 harmonic 73.470 87.580   # SOURCE3 4 0.6135
    angle_coeff @angle:cy-cy-n harmonic 65.220 112.130   # SOURCE3 31 2.0700
    angle_coeff @angle:cy-cy-na harmonic 63.370 119.700   # SOURCE4 9 0.3333
    angle_coeff @angle:cy-cy-oh harmonic 66.000 114.190   # SOURCE3 4 0.0000
    angle_coeff @angle:cy-cy-os harmonic 66.410 111.770   # SOURCE4 18 2.1334
    angle_coeff @angle:cy-cy-s6 harmonic 74.590 117.460   # SOURCE4 7 1.2423
    angle_coeff @angle:cy-cy-ss harmonic 74.450 118.180   # SOURCE4 55 0.9860
    angle_coeff @angle:h1-cy-h1 harmonic 39.010 109.720   # SOURCE3 6 0.8087
    angle_coeff @angle:h1-cy-n3 harmonic 48.210 113.360   # SOURCE3 6 1.4509
    angle_coeff @angle:h1-cy-n harmonic 49.100 111.180   # SOURCE4 141 0.5848
    angle_coeff @angle:h1-cy-oh harmonic 50.890 111.490   # SOURCE3 2 0.0000
    angle_coeff @angle:h1-cy-os harmonic 50.530 110.940   # SOURCE3 8 0.6522
    angle_coeff @angle:h1-cy-s6 harmonic 51.950 112.570   # SOURCE4 5 1.2943
    angle_coeff @angle:h2-cy-n harmonic 48.420 114.440   # SOURCE4 88 0.7114
    angle_coeff @angle:h2-cy-os harmonic 50.970 109.190   # SOURCE4 6 0.4162
    angle_coeff @angle:h2-cy-s6 harmonic 53.300 106.850   # SOURCE4 6 0.3975
    angle_coeff @angle:h2-cy-ss harmonic 52.700 109.730   # SOURCE4 92 0.7424
    angle_coeff @angle:hc-cy-hc harmonic 39.240 109.040   # SOURCE3 28 0.5962
    angle_coeff @angle:n-cy-os harmonic 71.620 107.500   # SOURCE4 9 2.3773
    angle_coeff @angle:n-cy-s6 harmonic 82.570 103.450   # SOURCE4 6 0.7197
    angle_coeff @angle:n-cy-ss harmonic 82.030 105.120   # SOURCE4 69 0.3987
    angle_coeff @angle:nh-cz-nh harmonic 72.970 120.170   # SOURCE4 26 0.3964
    angle_coeff @angle:br-n1-c1 harmonic 51.100 180.000   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-c1 harmonic 64.910 179.920   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-c2 harmonic 60.250 177.730   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-c3 harmonic 54.830 180.000   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-ca harmonic 56.970 179.990   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-cl harmonic 53.870 179.950   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-f harmonic 55.860 179.960   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-hn harmonic 45.620 179.980   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-i harmonic 46.230 179.950   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-n1 harmonic 66.890 180.000   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-n2 harmonic 65.700 171.560   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-n3 harmonic 60.690 175.590   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-n4 harmonic 59.680 179.690   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-na harmonic 59.950 180.000   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-nh harmonic 60.880 176.350   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-o harmonic 62.620 179.950   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-oh harmonic 62.880 174.310   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-os harmonic 62.150 176.610   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-p2 harmonic 53.810 172.830   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-p3 harmonic 54.260 173.510   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-p4 harmonic 53.620 173.640   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-p5 harmonic 56.480 177.280   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-s2 harmonic 76.360 178.110   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-s4 harmonic 69.870 169.600   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-s harmonic 67.470 179.990   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-s6 harmonic 78.230 175.920   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-sh harmonic 70.520 174.250   # HF/6-31G* 1
    angle_coeff @angle:c1-n1-ss harmonic 70.160 176.060   # HF/6-31G* 1
    angle_coeff @angle:c2-n1-n1 harmonic 61.580 180.000   # HF/6-31G* 1
    angle_coeff @angle:c2-n1-o harmonic 73.090 116.940   # SOURCE3 2 0.0060
    angle_coeff @angle:c2-n1-s harmonic 81.900 118.000   # SOURCE3 2 0.0121
    angle_coeff @angle:c3-n1-n1 harmonic 56.300 180.000   # HF/6-31G* 1
    angle_coeff @angle:ca-n1-n1 harmonic 58.540 180.000   # HF/6-31G* 1
    angle_coeff @angle:ce-n1-o harmonic 71.350 122.400   # SOURCE3 1 same_as_cf-n1-o
    angle_coeff @angle:ce-n1-s harmonic 82.090 117.340   # SOURCE3 1 same_as_cf-n1-s
    angle_coeff @angle:cf-n1-o harmonic 71.060 122.400   # SOURCE3 1 0.0000
    angle_coeff @angle:cf-n1-s harmonic 81.960 117.340   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-n1-n1 harmonic 55.230 179.940   # HF/6-31G* 1
    angle_coeff @angle:f-n1-n1 harmonic 57.390 179.930   # HF/6-31G* 1
    angle_coeff @angle:hn-n1-n1 harmonic 47.140 179.910   # HF/6-31G* 1
    angle_coeff @angle:i-n1-n1 harmonic 47.260 179.940   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-n1 harmonic 68.970 179.970   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-n2 harmonic 67.650 171.570   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-n3 harmonic 62.490 175.090   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-n4 harmonic 61.310 179.910   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-na harmonic 61.630 179.970   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-nh harmonic 62.660 176.000   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-o harmonic 64.430 179.940   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-oh harmonic 64.780 173.770   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-os harmonic 64.010 176.120   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-p2 harmonic 54.850 174.710   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-p3 harmonic 55.500 174.270   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-s harmonic 69.160 180.000   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-n1-sh harmonic 72.150 175.070   # HF/6-31G* 1
    angle_coeff @angle:n1-n1-ss harmonic 72.040 175.610   # HF/6-31G* 1
    angle_coeff @angle:o-n1-p2 harmonic 66.900 116.050   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-n1-s harmonic 80.340 119.930   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n2-br harmonic 63.890 106.600   # SOURCE3 1
    angle_coeff @angle:br-n2-c2 harmonic 59.130 112.400   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n2-n2 harmonic 61.080 110.420   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n2-o harmonic 60.100 114.470   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n2-p2 harmonic 63.250 111.030   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n2-s harmonic 78.980 115.780   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-n2-c1 harmonic 74.410 121.100   # SOURCE3 1
    angle_coeff @angle:c1-n2-c3 harmonic 58.670 151.880   # SOURCE3 4 15.8282
    angle_coeff @angle:c1-n2-cl harmonic 59.530 118.800   # SOURCE2 1 0.0000
    angle_coeff @angle:c1-n2-hn harmonic 51.470 126.500   # SOURCE2 3 7.6267
    angle_coeff @angle:c1-n2-n2 harmonic 76.750 113.400   # SOURCE3 1
    angle_coeff @angle:c1-n2-o harmonic 79.200 113.590   # SOURCE3 1
    angle_coeff @angle:c1-n2-p2 harmonic 66.970 119.570   # SOURCE3 1
    angle_coeff @angle:c1-n2-s harmonic 88.340 117.670   # SOURCE3 1
    angle_coeff @angle:c2-n2-c2 harmonic 70.760 118.180   # SOURCE3 1
    angle_coeff @angle:c2-n2-c3 harmonic 66.130 115.300   # SOURCE3 8 4.2940
    angle_coeff @angle:c2-n2-ca harmonic 69.830 119.940   # SOURCE3 1
    angle_coeff @angle:c2-n2-cl harmonic 60.950 112.640   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-n2-f harmonic 68.300 108.140   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-n2-hn harmonic 52.630 110.330   # SOURCE3 9 0.6498
    angle_coeff @angle:c2-n2-i harmonic 51.860 114.740   # SOURCE3 2 0.0139
    angle_coeff @angle:c2-n2-n1 harmonic 75.450 115.090   # HF/6-31G* 1
    angle_coeff @angle:c2-n2-n2 harmonic 77.940 103.590   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-n2-n3 harmonic 71.340 118.140   # SOURCE3 1
    angle_coeff @angle:c2-n2-n4 harmonic 62.390 112.220   # SOURCE3 3 0.0406
    angle_coeff @angle:c2-n2-n harmonic 70.160 117.980   # SOURCE4 11 0.9019
    angle_coeff @angle:c2-n2-na harmonic 70.350 117.580   # SOURCE3 8 1.6671
    angle_coeff @angle:c2-n2-nh harmonic 70.710 117.610   # SOURCE3 6 3.2642
    angle_coeff @angle:c2-n2-no harmonic 64.220 111.540   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-n2-o harmonic 75.470 116.940   # SOURCE3 1
    angle_coeff @angle:c2-n2-oh harmonic 72.080 110.890   # SOURCE4 22 1.2709
    angle_coeff @angle:c2-n2-os harmonic 71.830 110.510   # SOURCE4 13 0.7888
    angle_coeff @angle:c2-n2-p2 harmonic 67.180 116.000   # SOURCE3 1
    angle_coeff @angle:c2-n2-p3 harmonic 61.270 119.300   # SOURCE3 3 2.8489
    angle_coeff @angle:c2-n2-p4 harmonic 62.640 118.770   # SOURCE3 1
    angle_coeff @angle:c2-n2-s4 harmonic 86.210 112.290   # SOURCE3 1
    angle_coeff @angle:c2-n2-s6 harmonic 87.140 116.240   # SOURCE3 1
    angle_coeff @angle:c2-n2-s harmonic 86.900 118.000   # SOURCE3 1
    angle_coeff @angle:c2-n2-sh harmonic 79.840 115.480   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-n2-ss harmonic 82.230 118.040   # SOURCE3 4 2.2804
    angle_coeff @angle:c3-n2-c3 harmonic 63.760 110.700   # SOURCE3 1
    angle_coeff @angle:c3-n2-ca harmonic 65.970 114.950   # SOURCE4 5 0.9744
    angle_coeff @angle:c3-n2-ce harmonic 65.370 118.520   # SOURCE4 113 1.6475
    angle_coeff @angle:c3-n2-cf harmonic 65.320 118.690   # SOURCE4 10 1.2155
    angle_coeff @angle:c3-n2-hn harmonic 45.180 118.400   # SOURCE3 1
    angle_coeff @angle:c3-n2-n1 harmonic 68.640 116.200   # SOURCE4 12 0.5407
    angle_coeff @angle:c3-n2-n2 harmonic 69.290 111.180   # SOURCE3 7 0.4349
    angle_coeff @angle:c3-n2-nh harmonic 68.080 109.990   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n2-o harmonic 70.290 112.400   # SOURCE2 1 0.0000
    angle_coeff @angle:c3-n2-p2 harmonic 64.870 114.210   # SOURCE3 2 2.2772
    angle_coeff @angle:c3-n2-s6 harmonic 83.890 113.840   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n2-s harmonic 83.150 116.720   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-n2-ca harmonic 71.790 112.200   # SOURCE3 1
    angle_coeff @angle:ca-n2-hn harmonic 50.010 120.000   # SOURCE3 1
    angle_coeff @angle:ca-n2-n2 harmonic 74.000 113.530   # SOURCE3 1
    angle_coeff @angle:ca-n2-o harmonic 75.260 116.000   # SOURCE2 1 0.0000
    angle_coeff @angle:ca-n2-p2 harmonic 66.400 118.110   # SOURCE3 1
    angle_coeff @angle:ca-n2-s harmonic 85.850 120.110   # SOURCE3 1
    angle_coeff @angle:c-n2-c2 harmonic 66.220 120.970   # SOURCE3 1
    angle_coeff @angle:c-n2-c harmonic 62.710 123.800   # SOURCE3 1
    angle_coeff @angle:c-n2-ca harmonic 66.050 120.500   # SOURCE3 1
    angle_coeff @angle:cc-n2-cl harmonic 60.100 115.790   # SOURCE3 1 same_as_cd-n2-cl
    angle_coeff @angle:cc-n2-hn harmonic 52.300 111.140   # SOURCE4 12 0.8109
    angle_coeff @angle:cc-n2-na harmonic 72.990 108.920   # SOURCE4 9 1.6245
    angle_coeff @angle:cc-n2-nh harmonic 70.350 118.470   # SOURCE4 6 1.7995
    angle_coeff @angle:cd-n2-cl harmonic 60.110 115.790   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n2-hn harmonic 52.630 110.090   # SOURCE4 8 0.6980
    angle_coeff @angle:ce-n2-hn harmonic 52.730 111.120   # SOURCE4 68 0.2440
    angle_coeff @angle:ce-n2-n harmonic 70.330 118.090   # SOURCE4 92 1.1048
    angle_coeff @angle:ce-n2-nh harmonic 70.640 118.550   # SOURCE4 52 1.1425
    angle_coeff @angle:ce-n2-o harmonic 77.370 112.160   # SOURCE3 1
    angle_coeff @angle:ce-n2-oh harmonic 71.450 113.480   # SOURCE4 36 1.7049
    angle_coeff @angle:ce-n2-os harmonic 71.290 112.780   # SOURCE4 33 0.8683
    angle_coeff @angle:ce-n2-s harmonic 87.710 116.280   # SOURCE3 1
    angle_coeff @angle:cf-n2-hn harmonic 53.860 106.500   # SOURCE3 1 same_as_ce-n2-hn
    angle_coeff @angle:cf-n2-n harmonic 70.490 117.550   # SOURCE4 9 0.7822
    angle_coeff @angle:cf-n2-nh harmonic 70.490 119.080   # SOURCE3 2 same_as_ce-n2-nh
    angle_coeff @angle:cf-n2-o harmonic 77.370 112.160   # SOURCE3 1 same_as_ce-n2-o
    angle_coeff @angle:cf-n2-oh harmonic 72.610 109.870   # SOURCE3 1 same_as_ce-n2-oh
    angle_coeff @angle:cf-n2-os harmonic 70.950 113.870   # SOURCE4 7 0.6449
    angle_coeff @angle:cf-n2-s harmonic 87.710 116.280   # SOURCE3 1 same_as_ce-n2-s
    angle_coeff @angle:cl-n2-n1 harmonic 63.750 108.700   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-n2-n2 harmonic 63.120 110.470   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-n2-o harmonic 62.610 114.030   # SOURCE3 1
    angle_coeff @angle:cl-n2-p2 harmonic 62.850 112.980   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-n2-s harmonic 79.610 115.770   # SOURCE3 1 0.0000
    angle_coeff @angle:cx-n2-n2 harmonic 90.460 64.920   # SOURCE3 2 0.0000
    angle_coeff @angle:f-n2-n2 harmonic 68.290 114.600   # SOURCE2 1 0.0000
    angle_coeff @angle:f-n2-o harmonic 71.170 110.100   # SOURCE2 1 0.0000
    angle_coeff @angle:f-n2-p2 harmonic 66.600 107.100   # SOURCE3 1 0.0000
    angle_coeff @angle:f-n2-s harmonic 84.970 110.730   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n2-hn harmonic 38.610 120.000   # SOURCE3 1
    angle_coeff @angle:hn-n2-n1 harmonic 55.330 114.100   # SOURCE2 1 0.0000
    angle_coeff @angle:hn-n2-n2 harmonic 55.840 105.010   # SOURCE3 19 1.5183
    angle_coeff @angle:hn-n2-ne harmonic 54.690 108.560   # SOURCE3 29 5.5708
    angle_coeff @angle:hn-n2-nf harmonic 54.690 108.560   # SOURCE3 29 same_as_hn-n2-ne
    angle_coeff @angle:hn-n2-o harmonic 57.610 107.370   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n2-p2 harmonic 46.310 112.090   # SOURCE3 18 4.0663
    angle_coeff @angle:hn-n2-p4 harmonic 43.060 111.330   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n2-p5 harmonic 44.500 122.340   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n2-pe harmonic 48.420 111.410   # SOURCE3 20 4.9895
    angle_coeff @angle:hn-n2-pf harmonic 48.420 111.410   # SOURCE3 20 same_as_hn-n2-pe
    angle_coeff @angle:hn-n2-s2 harmonic 61.190 115.800   # SOURCE2 1 0.0000
    angle_coeff @angle:hn-n2-s4 harmonic 58.650 111.210   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n2-s harmonic 62.150 108.170   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n2-s6 harmonic 60.520 112.590   # SOURCE3 2 0.0000
    angle_coeff @angle:i-n2-n2 harmonic 53.710 111.790   # SOURCE3 1 0.0000
    angle_coeff @angle:i-n2-o harmonic 52.330 116.820   # SOURCE3 1 0.0000
    angle_coeff @angle:i-n2-p2 harmonic 57.140 113.260   # SOURCE3 1 0.0000
    angle_coeff @angle:i-n2-s harmonic 71.310 116.850   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-n2-n1 harmonic 80.820 112.000   # HF/6-31G* 1
    angle_coeff @angle:n2-n2-n1 harmonic 62.280 180.000   # dac_for_azides 0
    angle_coeff @angle:n2-n2-n2 harmonic 78.200 109.490   # SOURCE3 2 0.0000
    angle_coeff @angle:n2-n2-n3 harmonic 76.590 108.880   # SOURCE3 1
    angle_coeff @angle:n2-n2-n4 harmonic 65.780 106.450   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-n2-na harmonic 74.180 112.230   # SOURCE3 1
    angle_coeff @angle:n2-n2-nh harmonic 74.760 111.700   # SOURCE3 5 0.3475
    angle_coeff @angle:n2-n2-no harmonic 67.680 105.970   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-n2-o harmonic 80.170 110.430   # SOURCE3 1
    angle_coeff @angle:n2-n2-oh harmonic 74.020 111.510   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-n2-os harmonic 74.690 108.380   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-n2-p2 harmonic 71.160 109.150   # SOURCE3 1
    angle_coeff @angle:n2-n2-p3 harmonic 64.580 113.050   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-n2-p4 harmonic 64.290 118.770   # SOURCE3 1
    angle_coeff @angle:n2-n2-p5 harmonic 70.950 110.460   # SOURCE3 1
    angle_coeff @angle:n2-n2-s4 harmonic 90.620 107.300   # SOURCE3 1
    angle_coeff @angle:n2-n2-s6 harmonic 91.570 111.250   # SOURCE3 1
    angle_coeff @angle:n2-n2-s harmonic 90.160 115.910   # SOURCE3 1
    angle_coeff @angle:n2-n2-sh harmonic 83.540 111.100   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-n2-ss harmonic 86.650 112.140   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-n2-n3 harmonic 72.950 115.070   # SOURCE3 1
    angle_coeff @angle:n3-n2-o harmonic 76.860 114.000   # SOURCE2 1 0.0000
    angle_coeff @angle:n3-n2-p2 harmonic 68.490 115.340   # SOURCE3 1
    angle_coeff @angle:n3-n2-s harmonic 88.540 117.130   # SOURCE3 1
    angle_coeff @angle:n4-n2-n4 harmonic 59.970 106.700   # SOURCE3 1
    angle_coeff @angle:n4-n2-o harmonic 64.860 112.200   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-n2-p2 harmonic 62.840 113.070   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-n2-s harmonic 79.030 118.500   # SOURCE3 1 0.0000
    angle_coeff @angle:na-n2-na harmonic 73.470 107.000   # SOURCE3 1
    angle_coeff @angle:na-n2-o harmonic 75.740 113.090   # SOURCE3 1 0.0000
    angle_coeff @angle:na-n2-p2 harmonic 66.830 119.160   # SOURCE3 1 0.0000
    angle_coeff @angle:na-n2-s harmonic 87.260 118.260   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-n2-nh harmonic 74.080 113.250   # SOURCE4 11 0.7711
    angle_coeff @angle:ne-n2-o harmonic 79.970 110.310   # SOURCE3 1
    angle_coeff @angle:ne-n2-s harmonic 89.910 116.220   # SOURCE3 1
    angle_coeff @angle:nf-n2-nh harmonic 74.690 111.380   # SOURCE3 1 same_as_ne-n2-nh
    angle_coeff @angle:nf-n2-o harmonic 79.970 110.310   # SOURCE3 1 same_as_ne-n2-o
    angle_coeff @angle:nf-n2-s harmonic 89.910 116.220   # SOURCE3 1 same_as_ne-n2-s
    angle_coeff @angle:nh-n2-nh harmonic 69.670 121.200   # SOURCE3 1
    angle_coeff @angle:nh-n2-o harmonic 76.020 113.600   # SOURCE4 13 1.0945
    angle_coeff @angle:nh-n2-p2 harmonic 67.100 118.830   # SOURCE3 2 0.1024
    angle_coeff @angle:nh-n2-s harmonic 88.040 116.900   # SOURCE3 2 0.2276
    angle_coeff @angle:n-n2-n2 harmonic 75.480 108.180   # SOURCE4 8 0.3496
    angle_coeff @angle:n-n2-o harmonic 74.990 115.100   # SOURCE4 31 0.2796
    angle_coeff @angle:no-n2-no harmonic 62.810 103.700   # SOURCE3 1
    angle_coeff @angle:no-n2-o harmonic 70.400 100.760   # SOURCE3 1 0.0000
    angle_coeff @angle:no-n2-p2 harmonic 64.250 111.950   # SOURCE3 1 0.0000
    angle_coeff @angle:n-n2-p2 harmonic 67.320 117.300   # SOURCE3 1 0.0000
    angle_coeff @angle:n-n2-s harmonic 88.140 115.740   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-n2-oh harmonic 74.840 101.700   # SOURCE3 1
    angle_coeff @angle:oh-n2-p2 harmonic 67.990 115.110   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-n2-s harmonic 87.990 116.080   # SOURCE3 1 0.0000
    angle_coeff @angle:o-n2-o harmonic 81.020 115.370   # SOURCE3 1
    angle_coeff @angle:o-n2-oh harmonic 75.560 112.150   # SOURCE2 2 1.4500
    angle_coeff @angle:o-n2-os harmonic 75.730 110.350   # SOURCE3 2 0.0042
    angle_coeff @angle:o-n2-p2 harmonic 70.040 116.080   # SOURCE3 1
    angle_coeff @angle:o-n2-p3 harmonic 65.080 113.430   # SOURCE3 1 0.0000
    angle_coeff @angle:o-n2-p4 harmonic 67.340 110.610   # SOURCE3 1
    angle_coeff @angle:o-n2-p5 harmonic 72.480 109.110   # SOURCE3 1
    angle_coeff @angle:o-n2-pe harmonic 67.310 134.560   # SOURCE3 1
    angle_coeff @angle:o-n2-pf harmonic 67.310 134.560   # SOURCE3 1 same_as_o-n2-pe
    angle_coeff @angle:o-n2-s4 harmonic 91.280 108.910   # SOURCE3 1
    angle_coeff @angle:o-n2-s6 harmonic 93.100 111.340   # SOURCE3 1
    angle_coeff @angle:o-n2-s harmonic 91.240 117.180   # SOURCE3 1
    angle_coeff @angle:o-n2-sh harmonic 82.970 114.980   # SOURCE3 1 0.0000
    angle_coeff @angle:os-n2-os harmonic 71.250 110.290   # SOURCE3 1
    angle_coeff @angle:os-n2-p2 harmonic 69.290 110.200   # SOURCE3 1 0.0000
    angle_coeff @angle:o-n2-ss harmonic 86.560 115.340   # SOURCE3 1 0.0000
    angle_coeff @angle:os-n2-s harmonic 89.190 112.230   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-n2-p2 harmonic 66.870 116.800   # SOURCE3 1
    angle_coeff @angle:p2-n2-p3 harmonic 61.450 124.480   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-n2-p4 harmonic 61.350 128.370   # SOURCE3 1
    angle_coeff @angle:p2-n2-p5 harmonic 65.160 123.470   # SOURCE3 1
    angle_coeff @angle:p2-n2-s4 harmonic 86.260 112.100   # SOURCE3 1
    angle_coeff @angle:p2-n2-s6 harmonic 86.440 115.700   # SOURCE3 1
    angle_coeff @angle:p2-n2-s harmonic 85.910 117.840   # SOURCE3 1
    angle_coeff @angle:p2-n2-sh harmonic 80.450 118.450   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-n2-ss harmonic 82.010 120.430   # SOURCE3 1 0.0000
    angle_coeff @angle:p3-n2-p3 harmonic 59.930 120.400   # SOURCE3 1
    angle_coeff @angle:p3-n2-s harmonic 80.080 120.860   # SOURCE3 1 0.0000
    angle_coeff @angle:p4-n2-s harmonic 77.830 131.840   # SOURCE3 1
    angle_coeff @angle:p5-n2-p5 harmonic 66.060 120.600   # SOURCE3 1
    angle_coeff @angle:p5-n2-s harmonic 85.340 119.890   # SOURCE3 1
    angle_coeff @angle:pe-n2-s harmonic 88.590 115.730   # SOURCE3 1
    angle_coeff @angle:pf-n2-s harmonic 88.590 115.730   # SOURCE3 1 same_as_pe-n2-s
    angle_coeff @angle:s4-n2-s4 harmonic 105.720 119.180   # SOURCE3 1
    angle_coeff @angle:s4-n2-s6 harmonic 107.600 119.180   # SOURCE3 1
    angle_coeff @angle:s6-n2-s6 harmonic 109.720 119.180   # SOURCE3 1
    angle_coeff @angle:sh-n2-sh harmonic 96.030 123.930   # SOURCE3 1
    angle_coeff @angle:sh-n2-ss harmonic 98.240 123.930   # SOURCE3 1
    angle_coeff @angle:s-n2-s harmonic 109.670 120.880   # SOURCE3 1
    angle_coeff @angle:s-n2-s4 harmonic 110.840 113.000   # SOURCE3 1
    angle_coeff @angle:s-n2-s6 harmonic 109.880 119.610   # SOURCE3 1
    angle_coeff @angle:s-n2-sh harmonic 101.850 122.050   # SOURCE3 1 0.0000
    angle_coeff @angle:s-n2-ss harmonic 106.640 118.190   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-n2-ss harmonic 100.790 123.930   # SOURCE3 1
    angle_coeff @angle:br-n3-br harmonic 66.540 107.150   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n3-c3 harmonic 62.700 106.930   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-n3-c1 harmonic 64.090 123.340   # SOURCE3 1
    angle_coeff @angle:c1-n3-f harmonic 68.220 104.700   # SOURCE2 1 0.0000
    angle_coeff @angle:c1-n3-hn harmonic 47.740 118.310   # SOURCE3 1
    angle_coeff @angle:c1-n3-o harmonic 70.010 116.630   # SOURCE3 1
    angle_coeff @angle:c2-n3-c2 harmonic 66.220 124.680   # SOURCE3 1
    angle_coeff @angle:c2-n3-hn harmonic 49.110 119.380   # SOURCE3 1
    angle_coeff @angle:c3-n3-c3 harmonic 64.010 110.900   # SOURCE3 40 2.3048
    angle_coeff @angle:c3-n3-cl harmonic 62.170 107.230   # SOURCE3 3 0.3673
    angle_coeff @angle:c3-n3-cx harmonic 62.450 116.320   # SOURCE4 24 0.5119
    angle_coeff @angle:c3-n3-cy harmonic 61.690 118.260   # SOURCE4 14 0.8788
    angle_coeff @angle:c3-n3-f harmonic 66.810 103.130   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-n3-hn harmonic 47.130 109.920   # SOURCE3 120 2.2590
    angle_coeff @angle:c3-n3-i harmonic 56.980 108.480   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-n3-n2 harmonic 66.230 118.750   # SOURCE2 2 2.6500
    angle_coeff @angle:c3-n3-n3 harmonic 66.760 108.150   # SOURCE3 15 1.3999
    angle_coeff @angle:c3-n3-n4 harmonic 67.180 109.650   # SOURCE3 3 0.1146
    angle_coeff @angle:c3-n3-n harmonic 66.670 111.750   # SOURCE4 50 1.6777
    angle_coeff @angle:c3-n3-nh harmonic 66.370 111.890   # SOURCE4 21 1.3006
    angle_coeff @angle:c3-n3-no harmonic 66.020 111.270   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n3-o harmonic 68.680 113.310   # SOURCE3 5 8.9081
    angle_coeff @angle:c3-n3-oh harmonic 69.070 106.140   # SOURCE4 14 1.1040
    angle_coeff @angle:c3-n3-os harmonic 68.480 104.950   # SOURCE4 9 0.9687
    angle_coeff @angle:c3-n3-p3 harmonic 59.890 121.930   # SOURCE3 3 5.6009
    angle_coeff @angle:c3-n3-p5 harmonic 62.050 119.810   # SOURCE4 58 1.8367
    angle_coeff @angle:c3-n3-s4 harmonic 77.770 112.910   # SOURCE3 3 0.8983
    angle_coeff @angle:c3-n3-s6 harmonic 80.590 116.570   # SOURCE4 73 1.8772
    angle_coeff @angle:c3-n3-s harmonic 77.780 110.020   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n3-sh harmonic 78.550 112.700   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n3-ss harmonic 77.950 116.010   # SOURCE3 3 1.1944
    angle_coeff @angle:c3-n3-sy harmonic 79.010 115.270   # SOURCE4 108 1.7647
    angle_coeff @angle:cl-n3-cl harmonic 61.850 108.280   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-n3-hn harmonic 42.590 104.390   # SOURCE3 2 0.0000
    angle_coeff @angle:cl-n3-n3 harmonic 63.750 107.650   # SOURCE3 1 0.0000
    angle_coeff @angle:cx-n3-cx harmonic 86.390 60.710   # SOURCE4 57 0.2359
    angle_coeff @angle:cx-n3-hn harmonic 47.150 109.570   # SOURCE4 26 0.7439
    angle_coeff @angle:cx-n3-p5 harmonic 62.150 119.320   # SOURCE4 71 1.1948
    angle_coeff @angle:cx-n3-py harmonic 60.630 121.750   # SOURCE4 10 1.0295
    angle_coeff @angle:cy-n3-cy harmonic 70.040 90.870   # SOURCE4 10 0.5777
    angle_coeff @angle:cy-n3-hn harmonic 46.250 112.120   # SOURCE4 9 1.9058
    angle_coeff @angle:f-n3-f harmonic 67.710 102.220   # SOURCE2 4 0.7562
    angle_coeff @angle:f-n3-hn harmonic 50.780 99.800   # SOURCE2 1 0.0000
    angle_coeff @angle:hn-n3-hn harmonic 41.300 107.130   # SOURCE3 44 1.9687
    angle_coeff @angle:hn-n3-i harmonic 35.430 109.980   # SOURCE3 2 0.0000
    angle_coeff @angle:hn-n3-n1 harmonic 52.050 110.170   # HF/6-31G* 1
    angle_coeff @angle:hn-n3-n2 harmonic 51.400 115.940   # SOURCE3 1
    angle_coeff @angle:hn-n3-n3 harmonic 50.160 103.980   # SOURCE3 18 1.8593
    angle_coeff @angle:hn-n3-n4 harmonic 50.870 106.400   # SOURCE3 5 0.5863
    angle_coeff @angle:hn-n3-n harmonic 51.020 106.570   # SOURCE3 6 1.0767
    angle_coeff @angle:hn-n3-na harmonic 50.320 107.890   # SOURCE3 1
    angle_coeff @angle:hn-n3-nh harmonic 50.440 107.390   # SOURCE3 11 1.6294
    angle_coeff @angle:hn-n3-no harmonic 50.250 104.780   # SOURCE3 3 1.1126
    angle_coeff @angle:hn-n3-o harmonic 53.140 113.320   # SOURCE3 3 4.3945
    angle_coeff @angle:hn-n3-oh harmonic 53.080 101.110   # SOURCE3 4 0.9921
    angle_coeff @angle:hn-n3-os harmonic 51.670 100.920   # SOURCE3 6 0.7295
    angle_coeff @angle:hn-n3-p2 harmonic 42.850 120.260   # SOURCE3 1
    angle_coeff @angle:hn-n3-p3 harmonic 41.820 116.890   # SOURCE3 9 3.8816
    angle_coeff @angle:hn-n3-p4 harmonic 43.440 113.050   # SOURCE3 2 0.0000
    angle_coeff @angle:hn-n3-p5 harmonic 44.280 113.680   # SOURCE3 6 2.1781
    angle_coeff @angle:hn-n3-s4 harmonic 53.750 108.930   # SOURCE3 7 1.7819
    angle_coeff @angle:hn-n3-s harmonic 52.560 109.470   # SOURCE3 1
    angle_coeff @angle:hn-n3-s6 harmonic 58.300 109.330   # SOURCE4 86 0.9610
    angle_coeff @angle:hn-n3-sh harmonic 54.580 108.670   # SOURCE3 3 2.5025
    angle_coeff @angle:hn-n3-ss harmonic 54.880 109.850   # SOURCE3 5 2.3215
    angle_coeff @angle:hn-n3-sy harmonic 55.880 109.490   # SOURCE4 278 0.7897
    angle_coeff @angle:i-n3-i harmonic 60.040 111.270   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-n3-n1 harmonic 72.400 113.210   # HF/6-31G* 1
    angle_coeff @angle:n2-n3-n2 harmonic 71.820 118.730   # SOURCE3 1
    angle_coeff @angle:n2-n3-o harmonic 74.130 114.910   # SOURCE3 1
    angle_coeff @angle:n3-n3-n3 harmonic 69.570 105.710   # SOURCE3 3 0.3561
    angle_coeff @angle:n4-n3-n4 harmonic 69.040 113.480   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-n3-nh harmonic 70.910 107.140   # SOURCE3 1
    angle_coeff @angle:na-n3-na harmonic 69.210 112.000   # SOURCE3 1
    angle_coeff @angle:nh-n3-nh harmonic 70.750 107.150   # SOURCE3 1 0.0000
    angle_coeff @angle:n-n3-n harmonic 70.250 110.550   # SOURCE3 1 0.0000
    angle_coeff @angle:no-n3-no harmonic 67.040 115.260   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-n3-oh harmonic 72.790 107.180   # SOURCE3 1 0.0000
    angle_coeff @angle:o-n3-o harmonic 71.890 126.140   # SOURCE3 1
    angle_coeff @angle:o-n3-p2 harmonic 66.640 117.020   # SOURCE3 1
    angle_coeff @angle:o-n3-p4 harmonic 65.880 116.650   # SOURCE3 1
    angle_coeff @angle:o-n3-s4 harmonic 81.710 114.090   # SOURCE3 1
    angle_coeff @angle:o-n3-s6 harmonic 87.090 113.800   # SOURCE3 1
    angle_coeff @angle:o-n3-s harmonic 78.520 119.810   # SOURCE3 1
    angle_coeff @angle:os-n3-os harmonic 70.790 106.520   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-n3-p2 harmonic 60.890 130.130   # SOURCE3 1
    angle_coeff @angle:p3-n3-p3 harmonic 61.530 118.740   # SOURCE3 3 3.3755
    angle_coeff @angle:p4-n3-p4 harmonic 63.370 116.350   # SOURCE3 1
    angle_coeff @angle:p5-n3-p5 harmonic 63.830 119.420   # SOURCE3 1 0.0000
    angle_coeff @angle:s4-n3-s4 harmonic 96.310 120.020   # SOURCE3 1 0.0000
    angle_coeff @angle:s4-n3-s6 harmonic 99.300 120.950   # SOURCE3 1
    angle_coeff @angle:s6-n3-s6 harmonic 101.380 126.130   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-n3-sh harmonic 98.100 118.630   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-n3-ss harmonic 98.150 119.670   # SOURCE3 1
    angle_coeff @angle:s-n3-s harmonic 90.470 131.360   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-n3-ss harmonic 98.680 119.570   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n4-br harmonic 65.140 114.820   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n4-hn harmonic 41.380 108.440   # SOURCE3 7 0.5630
    angle_coeff @angle:c1-n4-c1 harmonic 65.530 113.870   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-n4-hn harmonic 48.620 110.190   # SOURCE3 7 1.0847
    angle_coeff @angle:c2-n4-c2 harmonic 63.010 112.580   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-n4-c3 harmonic 63.100 110.960   # SOURCE4 13 2.4632
    angle_coeff @angle:c2-n4-hn harmonic 46.430 111.360   # SOURCE3 13 1.2672
    angle_coeff @angle:c3-n4-c3 harmonic 62.840 110.640   # SOURCE3 13 1.3060
    angle_coeff @angle:c3-n4-ca harmonic 63.610 110.400   # SOURCE4 46 1.4643
    angle_coeff @angle:c3-n4-cc harmonic 62.840 111.090   # SOURCE4 7 0.7065
    angle_coeff @angle:c3-n4-cl harmonic 62.270 108.040   # SOURCE3 3 0.0000
    angle_coeff @angle:c3-n4-hn harmonic 46.190 110.110   # SOURCE3 100 1.3136
    angle_coeff @angle:c3-n4-n3 harmonic 66.730 108.720   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-n4-n4 harmonic 63.720 114.070   # SOURCE3 4 0.0000
    angle_coeff @angle:c3-n4-n harmonic 66.200 109.260   # SOURCE4 7 1.9859
    angle_coeff @angle:c3-n4-nh harmonic 64.760 111.730   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n4-no harmonic 65.250 109.080   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n4-o harmonic 67.250 111.660   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n4-oh harmonic 65.900 113.730   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n4-os harmonic 67.380 107.420   # SOURCE3 3 3.5920
    angle_coeff @angle:c3-n4-p2 harmonic 56.830 112.520   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n4-p3 harmonic 58.790 110.730   # SOURCE3 3 2.1084
    angle_coeff @angle:c3-n4-p5 harmonic 59.350 113.220   # SOURCE3 3 0.4021
    angle_coeff @angle:c3-n4-s4 harmonic 72.410 108.230   # SOURCE3 3 0.4195
    angle_coeff @angle:c3-n4-s6 harmonic 73.090 111.560   # SOURCE3 3 1.8851
    angle_coeff @angle:c3-n4-s harmonic 74.940 113.550   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n4-sh harmonic 74.840 115.810   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-n4-ss harmonic 75.510 113.680   # SOURCE3 3 1.1405
    angle_coeff @angle:ca-n4-ca harmonic 63.210 114.480   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-n4-hn harmonic 47.540 108.520   # SOURCE3 5 1.1693
    angle_coeff @angle:c-n4-c harmonic 61.500 108.610   # SOURCE3 1 0.0000
    angle_coeff @angle:c-n4-hn harmonic 44.680 110.860   # SOURCE3 10 1.0073
    angle_coeff @angle:cl-n4-cl harmonic 60.960 114.910   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-n4-hn harmonic 42.500 108.870   # SOURCE3 7 0.7719
    angle_coeff @angle:f-n4-f harmonic 70.470 109.050   # SOURCE3 1 0.0000
    angle_coeff @angle:f-n4-hn harmonic 51.670 108.390   # SOURCE3 4 0.0000
    angle_coeff @angle:hn-n4-hn harmonic 40.520 108.110   # SOURCE3 208 1.4126
    angle_coeff @angle:hn-n4-i harmonic 36.440 108.720   # SOURCE3 7 1.2717
    angle_coeff @angle:hn-n4-n1 harmonic 51.790 109.390   # HF/6-31G* 1
    angle_coeff @angle:hn-n4-n2 harmonic 42.290 109.680   # SOURCE3 19 0.6266
    angle_coeff @angle:hn-n4-n3 harmonic 49.850 110.400   # SOURCE3 11 0.7307
    angle_coeff @angle:hn-n4-n4 harmonic 48.090 108.660   # SOURCE3 18 1.2967
    angle_coeff @angle:hn-n4-n harmonic 49.590 109.080   # SOURCE3 13 1.6047
    angle_coeff @angle:hn-n4-na harmonic 49.430 109.380   # SOURCE3 25 1.0758
    angle_coeff @angle:hn-n4-nh harmonic 48.360 109.920   # SOURCE3 12 0.7304
    angle_coeff @angle:hn-n4-no harmonic 49.190 104.380   # SOURCE3 2 0.0000
    angle_coeff @angle:hn-n4-o harmonic 52.090 109.260   # SOURCE3 6 2.1203
    angle_coeff @angle:hn-n4-oh harmonic 51.120 108.090   # SOURCE3 6 1.6728
    angle_coeff @angle:hn-n4-os harmonic 50.150 109.390   # SOURCE3 10 1.4403
    angle_coeff @angle:hn-n4-p2 harmonic 37.700 110.500   # SOURCE3 25 1.0664
    angle_coeff @angle:hn-n4-p3 harmonic 39.300 109.890   # SOURCE3 10 2.3870
    angle_coeff @angle:hn-n4-p4 harmonic 37.650 111.330   # SOURCE3 3 0.0000
    angle_coeff @angle:hn-n4-p5 harmonic 40.530 110.000   # SOURCE3 10 1.0282
    angle_coeff @angle:hn-n4-py harmonic 37.420 117.890   # SOURCE3 8 0.0000
    angle_coeff @angle:hn-n4-s4 harmonic 46.920 110.100   # SOURCE3 6 0.8471
    angle_coeff @angle:hn-n4-s harmonic 51.970 106.890   # SOURCE3 6 1.0775
    angle_coeff @angle:hn-n4-s6 harmonic 48.900 108.940   # SOURCE3 10 0.5715
    angle_coeff @angle:hn-n4-sh harmonic 52.260 108.560   # SOURCE3 6 0.8535
    angle_coeff @angle:hn-n4-ss harmonic 52.080 109.170   # SOURCE3 10 0.8455
    angle_coeff @angle:i-n4-i harmonic 58.990 118.490   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-n4-n1 harmonic 72.690 110.670   # HF/6-31G* 1
    angle_coeff @angle:n2-n4-n2 harmonic 59.430 108.640   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-n4-n3 harmonic 69.790 111.070   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-n4-n4 harmonic 65.210 115.490   # SOURCE3 1 0.0000
    angle_coeff @angle:na-n4-na harmonic 66.270 119.600   # SOURCE3 1 0.0000
    angle_coeff @angle:nh-n4-nh harmonic 67.830 109.380   # SOURCE3 1 0.0000
    angle_coeff @angle:n-n4-n harmonic 66.680 118.620   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-n4-oh harmonic 72.250 108.190   # SOURCE3 1 0.0000
    angle_coeff @angle:o-n4-o harmonic 70.280 120.970   # SOURCE3 1 0.0000
    angle_coeff @angle:os-n4-os harmonic 72.460 104.400   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-n4-p2 harmonic 55.970 113.910   # SOURCE3 2 0.0000
    angle_coeff @angle:p3-n4-p3 harmonic 56.000 121.380   # SOURCE3 1 0.0000
    angle_coeff @angle:p5-n4-p5 harmonic 61.270 107.020   # SOURCE3 1 0.0000
    angle_coeff @angle:py-n4-py harmonic 73.000 69.790   # SOURCE3 2 0.0000
    angle_coeff @angle:s4-n4-s4 harmonic 87.700 115.430   # SOURCE3 1
    angle_coeff @angle:s6-n4-s6 harmonic 92.770 109.510   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-n4-sh harmonic 96.690 112.590   # SOURCE3 1 0.0000
    angle_coeff @angle:s-n4-s harmonic 90.880 124.550   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-n4-ss harmonic 98.130 109.200   # SOURCE3 1 0.0000
    angle_coeff @angle:br-na-br harmonic 60.550 123.000   # SOURCE3 1
    angle_coeff @angle:br-na-c2 harmonic 63.610 100.480   # SOURCE3 2 1.0536
    angle_coeff @angle:br-na-ca harmonic 57.150 124.810   # SOURCE3 1
    angle_coeff @angle:br-na-cc harmonic 57.160 124.620   # SOURCE3 3 0.5348
    angle_coeff @angle:br-na-cd harmonic 57.160 124.620   # SOURCE3 3 same_as_br-na-cc
    angle_coeff @angle:br-na-nc harmonic 59.860 119.420   # SOURCE3 4 1.6703
    angle_coeff @angle:br-na-nd harmonic 59.860 119.420   # SOURCE3 4 same_as_br-na-nc
    angle_coeff @angle:br-na-os harmonic 63.920 104.990   # SOURCE3 1 0.0000
    angle_coeff @angle:br-na-p2 harmonic 59.980 121.010   # SOURCE3 1
    angle_coeff @angle:br-na-pc harmonic 60.360 120.260   # SOURCE3 3 2.1456
    angle_coeff @angle:br-na-pd harmonic 60.360 120.260   # SOURCE3 3 same_as_br-na-pc
    angle_coeff @angle:br-na-ss harmonic 79.050 112.280   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-na-c1 harmonic 67.200 117.200   # SOURCE3 1
    angle_coeff @angle:c1-na-c2 harmonic 64.320 125.200   # SOURCE3 1
    angle_coeff @angle:c1-na-ca harmonic 66.540 120.570   # SOURCE3 1
    angle_coeff @angle:c1-na-cc harmonic 65.820 121.350   # SOURCE3 6 0.6517
    angle_coeff @angle:c1-na-cd harmonic 65.820 121.350   # SOURCE3 6 0.6517
    angle_coeff @angle:c1-na-nc harmonic 68.270 120.240   # SOURCE3 4 1.6849
    angle_coeff @angle:c1-na-nd harmonic 68.270 120.240   # SOURCE3 4 same_as_c1-na-nc
    angle_coeff @angle:c1-na-os harmonic 70.240 106.960   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-na-p2 harmonic 60.440 122.250   # SOURCE3 1
    angle_coeff @angle:c1-na-pc harmonic 61.100 121.480   # SOURCE3 3 2.1681
    angle_coeff @angle:c1-na-pd harmonic 61.100 121.480   # SOURCE3 3 same_as_c1-na-pc
    angle_coeff @angle:c1-na-ss harmonic 78.330 118.300   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-na-c2 harmonic 67.800 110.370   # SOURCE3 6 0.5121
    angle_coeff @angle:c2-na-c3 harmonic 64.230 117.200   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-na-ca harmonic 64.550 125.330   # SOURCE4 7 0.5648
    angle_coeff @angle:c2-na-cc harmonic 63.980 125.750   # SOURCE3 10 1.5856
    angle_coeff @angle:c2-na-cd harmonic 63.980 125.750   # SOURCE3 10 1.5856
    angle_coeff @angle:c2-na-cl harmonic 63.280 101.010   # SOURCE3 2 1.5799
    angle_coeff @angle:c2-na-f harmonic 68.640 103.110   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-na-hn harmonic 47.620 119.280   # SOURCE3 14 6.6027
    angle_coeff @angle:c2-na-i harmonic 58.980 106.740   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-na-n1 harmonic 66.270 124.810   # HF/6-31G* 1
    angle_coeff @angle:c2-na-n2 harmonic 65.800 125.000   # SOURCE3 1
    angle_coeff @angle:c2-na-n3 harmonic 64.640 124.800   # SOURCE3 1
    angle_coeff @angle:c2-na-n4 harmonic 65.190 121.320   # SOURCE3 1
    angle_coeff @angle:c2-na-n harmonic 65.630 124.700   # SOURCE3 1
    angle_coeff @angle:c2-na-na harmonic 65.140 124.600   # SOURCE3 1
    angle_coeff @angle:c2-na-nc harmonic 67.270 121.140   # SOURCE4 5 1.0225
    angle_coeff @angle:c2-na-nd harmonic 67.600 119.950   # SOURCE3 4 same_as_c2-na-nc
    angle_coeff @angle:c2-na-nh harmonic 65.040 124.980   # SOURCE3 1
    angle_coeff @angle:c2-na-no harmonic 64.340 124.200   # SOURCE3 1
    angle_coeff @angle:c2-na-o harmonic 68.210 125.900   # SOURCE3 1
    angle_coeff @angle:c2-na-oh harmonic 65.800 123.900   # SOURCE3 1
    angle_coeff @angle:c2-na-os harmonic 68.530 110.330   # SOURCE3 4 3.2172
    angle_coeff @angle:c2-na-p2 harmonic 60.200 122.140   # SOURCE3 1
    angle_coeff @angle:c2-na-p3 harmonic 58.910 126.100   # SOURCE3 1
    angle_coeff @angle:c2-na-p4 harmonic 64.460 125.000   # SOURCE3 1
    angle_coeff @angle:c2-na-p5 harmonic 60.390 125.100   # SOURCE3 1
    angle_coeff @angle:c2-na-pc harmonic 60.800 121.560   # SOURCE3 3 1.6252
    angle_coeff @angle:c2-na-pd harmonic 60.800 121.560   # SOURCE3 3 same_as_c2-na-pc
    angle_coeff @angle:c2-na-s4 harmonic 73.870 124.900   # SOURCE3 1
    angle_coeff @angle:c2-na-s6 harmonic 76.240 124.400   # SOURCE3 1
    angle_coeff @angle:c2-na-s harmonic 74.540 125.800   # SOURCE3 1
    angle_coeff @angle:c2-na-sh harmonic 76.230 125.100   # SOURCE3 1
    angle_coeff @angle:c2-na-ss harmonic 78.900 115.530   # SOURCE3 5 1.4036
    angle_coeff @angle:c3-na-c3 harmonic 60.720 125.590   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-na-ca harmonic 63.150 124.360   # SOURCE3 5 4.2557
    angle_coeff @angle:c3-na-cc harmonic 62.560 125.090   # SOURCE3 18 1.2138
    angle_coeff @angle:c3-na-cd harmonic 62.560 125.090   # SOURCE3 18 1.2138
    angle_coeff @angle:c3-na-cp harmonic 63.760 119.460   # SOURCE4 7 0.4108
    angle_coeff @angle:c3-na-n2 harmonic 65.480 120.050   # SOURCE4 5 0.8795
    angle_coeff @angle:c3-na-n harmonic 67.370 112.680   # SOURCE4 12 0.5122
    angle_coeff @angle:c3-na-nc harmonic 65.740 120.460   # SOURCE3 8 2.1625
    angle_coeff @angle:c3-na-nd harmonic 65.740 120.460   # SOURCE3 8 2.1625
    angle_coeff @angle:c3-na-os harmonic 68.910 104.390   # SOURCE3 3 1.2017
    angle_coeff @angle:c3-na-p2 harmonic 59.290 123.120   # SOURCE3 1
    angle_coeff @angle:c3-na-pc harmonic 59.960 122.110   # SOURCE3 3 2.8504
    angle_coeff @angle:c3-na-pd harmonic 59.960 122.110   # SOURCE3 3 same_as_c3-na-pc
    angle_coeff @angle:c3-na-sh harmonic 80.220 110.280   # SOURCE3 1
    angle_coeff @angle:c3-na-ss harmonic 79.610 110.870   # SOURCE3 3 0.8260
    angle_coeff @angle:ca-na-ca harmonic 66.980 120.090   # SOURCE4 321 1.7366
    angle_coeff @angle:ca-na-cc harmonic 68.460 113.150   # SOURCE3 18 9.8644
    angle_coeff @angle:ca-na-cd harmonic 68.460 113.150   # SOURCE3 18 9.8644
    angle_coeff @angle:ca-na-cl harmonic 57.170 124.790   # SOURCE3 1
    angle_coeff @angle:ca-na-cp harmonic 65.880 120.960   # SOURCE4 20 1.2820
    angle_coeff @angle:ca-na-cx harmonic 63.070 124.090   # SOURCE4 12 1.8167
    angle_coeff @angle:ca-na-f harmonic 65.510 116.400   # SOURCE3 1
    angle_coeff @angle:ca-na-hn harmonic 47.630 125.590   # SOURCE4 437 1.1893
    angle_coeff @angle:ca-na-i harmonic 55.210 121.620   # SOURCE3 1
    angle_coeff @angle:ca-na-n2 harmonic 68.210 119.850   # SOURCE4 6 1.2043
    angle_coeff @angle:ca-na-n4 harmonic 66.370 120.190   # SOURCE3 1
    angle_coeff @angle:ca-na-n harmonic 67.340 122.000   # SOURCE3 1
    angle_coeff @angle:ca-na-na harmonic 66.290 123.760   # SOURCE3 1
    angle_coeff @angle:ca-na-nb harmonic 68.180 122.160   # SOURCE4 7 0.8543
    angle_coeff @angle:ca-na-nc harmonic 69.270 117.850   # SOURCE3 6 3.6536
    angle_coeff @angle:ca-na-nd harmonic 69.270 117.850   # SOURCE3 6 same_as_ca-na-nc
    angle_coeff @angle:ca-na-nh harmonic 66.140 124.330   # SOURCE4 7 1.3855
    angle_coeff @angle:ca-na-o harmonic 71.140 119.990   # SOURCE4 51 1.2671
    angle_coeff @angle:ca-na-oh harmonic 66.690 124.080   # SOURCE3 1
    angle_coeff @angle:ca-na-os harmonic 69.700 109.460   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-na-p2 harmonic 59.660 125.850   # SOURCE3 1
    angle_coeff @angle:ca-na-p3 harmonic 59.650 124.380   # SOURCE3 1
    angle_coeff @angle:ca-na-p4 harmonic 65.120 124.970   # SOURCE3 1
    angle_coeff @angle:ca-na-p5 harmonic 61.240 123.300   # SOURCE3 1
    angle_coeff @angle:ca-na-pc harmonic 61.050 122.130   # SOURCE3 3 2.2393
    angle_coeff @angle:ca-na-pd harmonic 61.050 122.130   # SOURCE3 3 same_as_ca-na-pc
    angle_coeff @angle:ca-na-py harmonic 57.370 140.880   # SOURCE3 2 0.0000
    angle_coeff @angle:ca-na-s4 harmonic 76.640 117.230   # SOURCE3 1
    angle_coeff @angle:ca-na-s6 harmonic 77.900 120.690   # SOURCE3 1
    angle_coeff @angle:ca-na-s harmonic 75.010 125.640   # SOURCE3 1
    angle_coeff @angle:ca-na-sh harmonic 76.630 125.440   # SOURCE3 1
    angle_coeff @angle:ca-na-ss harmonic 74.880 129.910   # SOURCE4 8 0.1449
    angle_coeff @angle:cc-na-cc harmonic 68.940 109.900   # SOURCE3 109 1.5547
    angle_coeff @angle:cc-na-cd harmonic 63.880 128.010   # SOURCE3 1 0.0000
    angle_coeff @angle:cc-na-ce harmonic 63.050 126.610   # SOURCE4 8 0.5158
    angle_coeff @angle:cc-na-cl harmonic 57.100 124.610   # SOURCE3 3 0.5208
    angle_coeff @angle:cc-na-f harmonic 64.600 118.030   # SOURCE3 4 0.3081
    angle_coeff @angle:cc-na-hn harmonic 46.990 125.660   # SOURCE4 549 1.5224
    angle_coeff @angle:cc-na-i harmonic 54.340 125.700   # SOURCE3 6 0.7821
    angle_coeff @angle:cc-na-n2 harmonic 66.830 122.960   # SOURCE3 15 0.9350
    angle_coeff @angle:cc-na-n4 harmonic 65.900 120.310   # SOURCE3 10 3.4394
    angle_coeff @angle:cc-na-n harmonic 66.520 123.190   # SOURCE3 13 0.3010
    angle_coeff @angle:cc-na-na harmonic 65.910 123.430   # SOURCE3 23 0.2088
    angle_coeff @angle:cc-na-nc harmonic 70.180 113.020   # SOURCE3 38 2.2867
    angle_coeff @angle:cc-na-nd harmonic 66.370 126.350   # SOURCE4 94 1.1249
    angle_coeff @angle:cc-na-nh harmonic 66.230 122.250   # SOURCE3 19 0.2010
    angle_coeff @angle:cc-na-no harmonic 65.400 121.780   # SOURCE3 9 0.3521
    angle_coeff @angle:cc-na-o harmonic 69.010 125.210   # SOURCE3 10 0.0124
    angle_coeff @angle:cc-na-oh harmonic 66.670 122.380   # SOURCE3 10 0.1570
    angle_coeff @angle:cc-na-os harmonic 67.340 115.740   # SOURCE3 41 5.4093
    angle_coeff @angle:cc-na-p2 harmonic 59.490 125.860   # SOURCE3 14 2.2993
    angle_coeff @angle:cc-na-p3 harmonic 59.280 125.250   # SOURCE3 8 0.1998
    angle_coeff @angle:cc-na-p4 harmonic 64.080 127.730   # SOURCE3 7 3.6077
    angle_coeff @angle:cc-na-p5 harmonic 60.690 124.700   # SOURCE3 13 1.4225
    angle_coeff @angle:cc-na-s4 harmonic 75.240 121.030   # SOURCE3 10 0.5589
    angle_coeff @angle:cc-na-s6 harmonic 77.180 122.190   # SOURCE3 10 0.9634
    angle_coeff @angle:cc-na-s harmonic 74.800 125.660   # SOURCE3 8 0.1880
    angle_coeff @angle:cc-na-sh harmonic 76.830 123.960   # SOURCE3 10 0.3424
    angle_coeff @angle:cc-na-ss harmonic 76.340 124.220   # SOURCE4 8 0.1585
    angle_coeff @angle:cd-na-cd harmonic 68.940 109.900   # SOURCE3 109 1.5547
    angle_coeff @angle:cd-na-cl harmonic 57.100 124.610   # SOURCE3 3 same_as_cc-na-cl
    angle_coeff @angle:cd-na-f harmonic 64.600 118.030   # SOURCE3 4 0.3081
    angle_coeff @angle:cd-na-hn harmonic 47.070 125.220   # SOURCE4 312 1.1426
    angle_coeff @angle:cd-na-i harmonic 54.340 125.700   # SOURCE3 6 0.7821
    angle_coeff @angle:cd-na-n2 harmonic 66.830 122.960   # SOURCE3 15 0.9350
    angle_coeff @angle:cd-na-n4 harmonic 65.900 120.310   # SOURCE3 10 3.4394
    angle_coeff @angle:cd-na-n harmonic 66.520 123.190   # SOURCE3 13 0.3010
    angle_coeff @angle:cd-na-na harmonic 65.910 123.430   # SOURCE3 23 0.2088
    angle_coeff @angle:cd-na-nc harmonic 66.510 125.820   # SOURCE4 30 1.6776
    angle_coeff @angle:cd-na-nd harmonic 70.180 113.020   # SOURCE3 38 2.2867
    angle_coeff @angle:cd-na-nh harmonic 66.230 122.250   # SOURCE3 19 0.2010
    angle_coeff @angle:cd-na-no harmonic 65.400 121.780   # SOURCE3 9 0.3521
    angle_coeff @angle:cd-na-o harmonic 69.010 125.210   # SOURCE3 10 0.0124
    angle_coeff @angle:cd-na-oh harmonic 66.670 122.380   # SOURCE3 10 0.1570
    angle_coeff @angle:cd-na-os harmonic 65.210 123.420   # SOURCE4 7 2.3824
    angle_coeff @angle:cd-na-p2 harmonic 59.490 125.860   # SOURCE3 14 2.2993
    angle_coeff @angle:cd-na-p3 harmonic 59.280 125.250   # SOURCE3 8 0.1998
    angle_coeff @angle:cd-na-p4 harmonic 64.080 127.730   # SOURCE3 7 same_as_cc-na-p4
    angle_coeff @angle:cd-na-p5 harmonic 60.690 124.700   # SOURCE3 13 1.4225
    angle_coeff @angle:cd-na-s4 harmonic 75.240 121.030   # SOURCE3 10 0.5589
    angle_coeff @angle:cd-na-s6 harmonic 77.180 122.190   # SOURCE3 10 0.9634
    angle_coeff @angle:cd-na-s harmonic 74.800 125.660   # SOURCE3 8 0.1880
    angle_coeff @angle:cd-na-sh harmonic 76.830 123.960   # SOURCE3 10 0.3424
    angle_coeff @angle:cd-na-ss harmonic 77.930 119.180   # SOURCE3 36 5.0538
    angle_coeff @angle:cl-na-cl harmonic 56.330 122.800   # SOURCE3 1
    angle_coeff @angle:cl-na-nc harmonic 59.890 119.360   # SOURCE3 4 1.7128
    angle_coeff @angle:cl-na-nd harmonic 59.890 119.360   # SOURCE3 4 same_as_cl-na-nc
    angle_coeff @angle:cl-na-os harmonic 63.040 106.580   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-na-p2 harmonic 58.340 121.290   # SOURCE3 1
    angle_coeff @angle:cl-na-pc harmonic 58.780 120.510   # SOURCE3 3 2.1985
    angle_coeff @angle:cl-na-pd harmonic 58.780 120.510   # SOURCE3 3 same_as_cl-na-pc
    angle_coeff @angle:cl-na-ss harmonic 77.180 111.910   # SOURCE3 1 0.0000
    angle_coeff @angle:f-na-f harmonic 62.220 120.200   # SOURCE3 1
    angle_coeff @angle:f-na-nc harmonic 66.640 118.050   # SOURCE3 4 1.7931
    angle_coeff @angle:f-na-nd harmonic 66.640 118.050   # SOURCE3 4 same_as_f-na-nc
    angle_coeff @angle:f-na-os harmonic 69.150 103.860   # SOURCE3 1 0.0000
    angle_coeff @angle:f-na-p2 harmonic 59.680 119.950   # SOURCE3 1
    angle_coeff @angle:f-na-pc harmonic 60.340 119.100   # SOURCE3 3 2.3967
    angle_coeff @angle:f-na-pd harmonic 60.340 119.100   # SOURCE3 3 same_as_f-na-pc
    angle_coeff @angle:f-na-ss harmonic 80.160 108.010   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-na-hn harmonic 39.830 116.800   # SOURCE3 1
    angle_coeff @angle:hn-na-n harmonic 50.900 111.260   # SOURCE4 5 1.1280
    angle_coeff @angle:hn-na-nc harmonic 50.000 119.610   # SOURCE3 16 1.8079
    angle_coeff @angle:hn-na-nd harmonic 50.000 119.610   # SOURCE3 16 1.8079
    angle_coeff @angle:hn-na-os harmonic 51.440 101.410   # SOURCE3 7 3.0814
    angle_coeff @angle:hn-na-p2 harmonic 40.320 122.520   # SOURCE3 1
    angle_coeff @angle:hn-na-pc harmonic 40.940 121.480   # SOURCE3 3 2.9355
    angle_coeff @angle:hn-na-pd harmonic 40.940 121.480   # SOURCE3 3 same_as_hn-na-pc
    angle_coeff @angle:hn-na-ss harmonic 53.460 113.950   # SOURCE3 1 0.0000
    angle_coeff @angle:i-na-i harmonic 58.320 124.200   # SOURCE3 1
    angle_coeff @angle:i-na-nc harmonic 56.940 120.030   # SOURCE3 4 2.0032
    angle_coeff @angle:i-na-nd harmonic 56.940 120.030   # SOURCE3 4 same_as_i-na-nc
    angle_coeff @angle:i-na-os harmonic 59.850 109.910   # SOURCE3 1 0.0000
    angle_coeff @angle:i-na-p2 harmonic 57.960 122.280   # SOURCE3 1
    angle_coeff @angle:i-na-pc harmonic 58.320 121.400   # SOURCE3 3 2.4763
    angle_coeff @angle:i-na-pd harmonic 58.320 121.400   # SOURCE3 3 same_as_i-na-pc
    angle_coeff @angle:i-na-ss harmonic 74.730 118.400   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-na-n2 harmonic 70.350 116.710   # SOURCE3 1
    angle_coeff @angle:n2-na-nc harmonic 69.850 119.960   # SOURCE3 4 4.5041
    angle_coeff @angle:n2-na-nd harmonic 69.850 119.960   # SOURCE3 4 same_as_n2-na-nc
    angle_coeff @angle:n2-na-os harmonic 70.330 111.530   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-na-p2 harmonic 61.200 124.880   # SOURCE3 1
    angle_coeff @angle:n2-na-pc harmonic 62.110 123.180   # SOURCE3 3 4.7947
    angle_coeff @angle:n2-na-pd harmonic 62.110 123.180   # SOURCE3 3 same_as_n2-na-pc
    angle_coeff @angle:n2-na-ss harmonic 78.110 124.640   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-na-n3 harmonic 65.770 124.000   # SOURCE3 1
    angle_coeff @angle:n4-na-n4 harmonic 68.570 111.700   # SOURCE3 1
    angle_coeff @angle:n4-na-nc harmonic 69.090 116.440   # SOURCE3 4 3.6604
    angle_coeff @angle:n4-na-nd harmonic 69.090 116.440   # SOURCE3 4 same_as_n4-na-nc
    angle_coeff @angle:n4-na-os harmonic 71.610 102.970   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-na-p2 harmonic 60.870 123.560   # SOURCE3 1
    angle_coeff @angle:n4-na-pc harmonic 61.710 121.980   # SOURCE3 3 4.4884
    angle_coeff @angle:n4-na-pd harmonic 61.710 121.980   # SOURCE3 3 same_as_n4-na-pc
    angle_coeff @angle:na-na-na harmonic 66.770 123.600   # SOURCE3 1
    angle_coeff @angle:na-na-nc harmonic 69.080 119.640   # SOURCE3 4 1.6920
    angle_coeff @angle:na-na-nd harmonic 69.080 119.640   # SOURCE3 4 same_as_na-na-nc
    angle_coeff @angle:na-na-os harmonic 70.250 109.470   # SOURCE3 1 0.0000
    angle_coeff @angle:na-na-p2 harmonic 61.690 121.720   # SOURCE3 1
    angle_coeff @angle:na-na-pc harmonic 62.360 120.910   # SOURCE3 3 2.3033
    angle_coeff @angle:na-na-pd harmonic 62.360 120.910   # SOURCE3 3 same_as_na-na-pc
    angle_coeff @angle:na-na-ss harmonic 80.370 116.500   # SOURCE3 1 0.0000
    angle_coeff @angle:nc-na-nc harmonic 71.200 117.080   # SOURCE3 31 1.8121
    angle_coeff @angle:nc-na-nd harmonic 69.530 122.770   # SOURCE4 5 0.1352
    angle_coeff @angle:nc-na-nh harmonic 68.820 120.550   # SOURCE3 8 1.1436
    angle_coeff @angle:nc-na-no harmonic 68.190 119.150   # SOURCE3 4 1.6049
    angle_coeff @angle:nc-na-o harmonic 72.040 122.790   # SOURCE3 6 1.3154
    angle_coeff @angle:nc-na-oh harmonic 69.710 119.220   # SOURCE3 4 1.7201
    angle_coeff @angle:nc-na-os harmonic 68.300 119.650   # SOURCE3 4 1.5019
    angle_coeff @angle:nc-na-p2 harmonic 62.600 119.990   # SOURCE3 4 3.6009
    angle_coeff @angle:nc-na-p3 harmonic 62.200 120.070   # SOURCE3 4 3.7188
    angle_coeff @angle:nc-na-p4 harmonic 68.140 119.770   # SOURCE3 3 0.3747
    angle_coeff @angle:nc-na-p5 harmonic 63.880 118.950   # SOURCE3 4 3.1194
    angle_coeff @angle:nc-na-pc harmonic 63.450 118.660   # SOURCE3 27 1.5082
    angle_coeff @angle:nc-na-s4 harmonic 77.870 119.200   # SOURCE3 4 2.3841
    angle_coeff @angle:nc-na-s6 harmonic 80.300 119.240   # SOURCE3 4 2.2262
    angle_coeff @angle:nc-na-s harmonic 77.910 122.260   # SOURCE3 4 0.9173
    angle_coeff @angle:nc-na-sh harmonic 80.100 120.500   # SOURCE3 4 1.5016
    angle_coeff @angle:nc-na-ss harmonic 79.650 120.500   # SOURCE3 4 1.5615
    angle_coeff @angle:nd-na-nd harmonic 71.200 117.080   # SOURCE3 31 1.8121
    angle_coeff @angle:nd-na-nh harmonic 68.820 120.550   # SOURCE3 8 same_as_nc-na-nh
    angle_coeff @angle:nd-na-no harmonic 68.190 119.150   # SOURCE3 4 same_as_nc-na-no
    angle_coeff @angle:nd-na-o harmonic 72.040 122.790   # SOURCE3 6 same_as_nc-na-o
    angle_coeff @angle:nd-na-oh harmonic 69.710 119.220   # SOURCE3 4 same_as_nc-na-oh
    angle_coeff @angle:nd-na-os harmonic 68.300 119.650   # SOURCE3 4 same_as_nc-na-os
    angle_coeff @angle:nd-na-p2 harmonic 62.600 119.990   # SOURCE3 4 same_as_nc-na-p2
    angle_coeff @angle:nd-na-p3 harmonic 62.200 120.070   # SOURCE3 4 same_as_nc-na-p3
    angle_coeff @angle:nd-na-p4 harmonic 68.140 119.770   # SOURCE3 3 same_as_nc-na-p4
    angle_coeff @angle:nd-na-p5 harmonic 63.880 118.950   # SOURCE3 4 same_as_nc-na-p5
    angle_coeff @angle:nd-na-pd harmonic 63.450 118.660   # SOURCE3 27 same_as_nc-na-pc
    angle_coeff @angle:nd-na-s4 harmonic 77.870 119.200   # SOURCE3 4 same_as_nc-na-s4
    angle_coeff @angle:nd-na-s6 harmonic 80.300 119.240   # SOURCE3 4 same_as_nc-na-s6
    angle_coeff @angle:nd-na-s harmonic 77.910 122.260   # SOURCE3 4 same_as_nc-na-s
    angle_coeff @angle:nd-na-sh harmonic 80.100 120.500   # SOURCE3 4 same_as_nc-na-sh
    angle_coeff @angle:nd-na-ss harmonic 79.650 120.500   # SOURCE3 4 same_as_nc-na-ss
    angle_coeff @angle:nh-na-nh harmonic 66.770 123.600   # SOURCE3 1
    angle_coeff @angle:nh-na-os harmonic 69.650 111.370   # SOURCE3 1 0.0000
    angle_coeff @angle:nh-na-p2 harmonic 61.900 120.860   # SOURCE3 1
    angle_coeff @angle:nh-na-pc harmonic 62.500 120.380   # SOURCE3 6 1.3513
    angle_coeff @angle:nh-na-pd harmonic 62.500 120.380   # SOURCE3 6 same_as_nh-na-pc
    angle_coeff @angle:nh-na-ss harmonic 81.840 112.350   # SOURCE3 2 5.2951
    angle_coeff @angle:n-na-n harmonic 67.780 123.800   # SOURCE3 1
    angle_coeff @angle:n-na-nc harmonic 69.610 119.850   # SOURCE3 4 1.6156
    angle_coeff @angle:n-na-nd harmonic 69.610 119.850   # SOURCE3 4 same_as_n-na-nc
    angle_coeff @angle:no-na-no harmonic 65.220 122.800   # SOURCE3 1
    angle_coeff @angle:no-na-os harmonic 70.300 106.550   # SOURCE3 1 0.0000
    angle_coeff @angle:no-na-pc harmonic 62.140 120.110   # SOURCE3 3 2.0821
    angle_coeff @angle:no-na-pd harmonic 62.140 120.110   # SOURCE3 3 same_as_no-na-pc
    angle_coeff @angle:n-na-os harmonic 72.340 104.710   # SOURCE3 1 0.0000
    angle_coeff @angle:no-na-ss harmonic 80.360 114.950   # SOURCE3 1 0.0000
    angle_coeff @angle:n-na-p2 harmonic 61.990 121.350   # SOURCE3 1
    angle_coeff @angle:n-na-pc harmonic 62.650 120.640   # SOURCE3 3 2.0168
    angle_coeff @angle:n-na-pd harmonic 62.650 120.640   # SOURCE3 3 same_as_n-na-pc
    angle_coeff @angle:n-na-ss harmonic 80.800 116.100   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-na-oh harmonic 68.130 122.200   # SOURCE3 1
    angle_coeff @angle:oh-na-p2 harmonic 62.330 120.760   # SOURCE3 1
    angle_coeff @angle:oh-na-pc harmonic 63.000 119.990   # SOURCE3 3 2.1734
    angle_coeff @angle:oh-na-pd harmonic 63.000 119.990   # SOURCE3 3 same_as_oh-na-pc
    angle_coeff @angle:oh-na-ss harmonic 82.110 113.040   # SOURCE3 1 0.0000
    angle_coeff @angle:o-na-o harmonic 74.030 126.200   # SOURCE3 1
    angle_coeff @angle:o-na-os harmonic 70.760 118.390   # SOURCE3 1 0.0000
    angle_coeff @angle:o-na-p2 harmonic 62.830 122.800   # SOURCE3 1
    angle_coeff @angle:o-na-pc harmonic 63.490 122.340   # SOURCE3 3 1.2908
    angle_coeff @angle:o-na-pd harmonic 63.490 122.340   # SOURCE3 3 same_as_o-na-pc
    angle_coeff @angle:os-na-os harmonic 71.290 104.450   # SOURCE3 2 0.0983
    angle_coeff @angle:os-na-p2 harmonic 62.590 117.860   # SOURCE3 1 0.0000
    angle_coeff @angle:os-na-p3 harmonic 66.040 104.700   # SOURCE3 1 0.0000
    angle_coeff @angle:os-na-p5 harmonic 65.290 111.410   # SOURCE3 1 0.0000
    angle_coeff @angle:os-na-pc harmonic 62.490 119.910   # SOURCE3 3 1.9002
    angle_coeff @angle:os-na-pd harmonic 62.490 119.910   # SOURCE3 3 same_as_os-na-pc
    angle_coeff @angle:os-na-s4 harmonic 82.020 105.880   # SOURCE3 2 0.0000
    angle_coeff @angle:os-na-s6 harmonic 82.010 112.000   # SOURCE3 2 0.0000
    angle_coeff @angle:os-na-ss harmonic 82.680 109.640   # SOURCE3 3 4.1395
    angle_coeff @angle:p2-na-p2 harmonic 60.320 120.910   # SOURCE3 1
    angle_coeff @angle:p2-na-p3 harmonic 59.150 124.800   # SOURCE3 1
    angle_coeff @angle:p2-na-p5 harmonic 60.140 123.990   # SOURCE3 1
    angle_coeff @angle:p2-na-pc harmonic 60.660 120.720   # SOURCE3 3 0.2407
    angle_coeff @angle:p2-na-pd harmonic 60.660 120.720   # SOURCE3 3 same_as_p2-na-pc
    angle_coeff @angle:p2-na-s4 harmonic 74.880 122.470   # SOURCE3 1
    angle_coeff @angle:p2-na-s6 harmonic 76.310 122.500   # SOURCE3 1
    angle_coeff @angle:p2-na-s harmonic 75.690 121.850   # SOURCE3 1
    angle_coeff @angle:p2-na-sh harmonic 76.680 121.750   # SOURCE3 1
    angle_coeff @angle:p2-na-ss harmonic 76.380 121.880   # SOURCE3 1
    angle_coeff @angle:p3-na-p3 harmonic 58.510 126.600   # SOURCE3 1
    angle_coeff @angle:p3-na-pc harmonic 59.780 123.320   # SOURCE3 3 4.1781
    angle_coeff @angle:p3-na-pd harmonic 59.780 123.320   # SOURCE3 3 same_as_p3-na-pc
    angle_coeff @angle:p5-na-p5 harmonic 60.590 124.600   # SOURCE3 1
    angle_coeff @angle:p5-na-pc harmonic 60.760 122.690   # SOURCE3 3 3.6738
    angle_coeff @angle:p5-na-pd harmonic 60.760 122.690   # SOURCE3 3 same_as_p5-na-pc
    angle_coeff @angle:p5-na-ss harmonic 78.220 118.520   # SOURCE3 1 0.0000
    angle_coeff @angle:pc-na-pc harmonic 60.940 120.780   # SOURCE3 27 1.6457
    angle_coeff @angle:pc-na-s4 harmonic 75.520 121.510   # SOURCE3 3 2.7242
    angle_coeff @angle:pc-na-s6 harmonic 76.990 121.550   # SOURCE3 3 2.7065
    angle_coeff @angle:pc-na-s harmonic 76.170 121.470   # SOURCE3 3 1.0668
    angle_coeff @angle:pc-na-sh harmonic 77.280 121.080   # SOURCE3 3 1.8942
    angle_coeff @angle:pc-na-ss harmonic 76.970 121.200   # SOURCE3 3 1.9295
    angle_coeff @angle:pd-na-pd harmonic 60.940 120.780   # SOURCE3 27 same_as_pc-na-pc
    angle_coeff @angle:pd-na-s4 harmonic 75.520 121.510   # SOURCE3 3 same_as_pc-na-s4
    angle_coeff @angle:pd-na-s6 harmonic 76.990 121.550   # SOURCE3 3 same_as_pc-na-s6
    angle_coeff @angle:pd-na-s harmonic 76.170 121.470   # SOURCE3 3 same_as_pc-na-s
    angle_coeff @angle:pd-na-sh harmonic 77.280 121.080   # SOURCE3 3 same_as_pc-na-sh
    angle_coeff @angle:pd-na-ss harmonic 76.970 121.200   # SOURCE3 3 same_as_pc-na-ss
    angle_coeff @angle:py-na-py harmonic 76.600 78.250   # SOURCE3 1 0.0000
    angle_coeff @angle:s4-na-s4 harmonic 92.990 124.200   # SOURCE3 1
    angle_coeff @angle:s4-na-s6 harmonic 99.310 112.860   # SOURCE3 1
    angle_coeff @angle:s4-na-ss harmonic 99.570 111.920   # SOURCE3 1 0.0000
    angle_coeff @angle:s6-na-s6 harmonic 96.930 123.200   # SOURCE3 1
    angle_coeff @angle:s6-na-ss harmonic 98.410 119.100   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-na-sh harmonic 96.720 124.600   # SOURCE3 1
    angle_coeff @angle:sh-na-ss harmonic 98.710 118.790   # SOURCE3 1 0.0000
    angle_coeff @angle:s-na-s harmonic 93.790 126.000   # SOURCE3 1
    angle_coeff @angle:s-na-ss harmonic 100.150 112.490   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-na-ss harmonic 100.760 113.240   # SOURCE3 2 6.6084
    angle_coeff @angle:sy-na-sy harmonic 96.930 123.200   # SOURCE3 1
    angle_coeff @angle:ca-nb-ca harmonic 68.590 115.860   # SOURCE3 46 1.1645
    angle_coeff @angle:ca-nb-cp harmonic 68.010 118.040   # SOURCE4 58 0.7819
    angle_coeff @angle:ca-nb-cq harmonic 68.010 118.040   # SOURCE4 58 same as ca-nb-cp
    angle_coeff @angle:ca-nb-nb harmonic 69.370 118.890   # SOURCE3 10 0.6031
    angle_coeff @angle:cp-nb-nb harmonic 68.790 121.110   # SOURCE4 12 0.4315
    angle_coeff @angle:nb-nb-nb harmonic 70.440 121.040   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n-br harmonic 66.590 116.200   # SOURCE3 1 0.0000
    angle_coeff @angle:br-n-c harmonic 61.850 120.770   # SOURCE3 5 2.6390
    angle_coeff @angle:br-n-ca harmonic 62.070 118.190   # SOURCE3 1
    angle_coeff @angle:br-n-cc harmonic 62.340 118.190   # SOURCE3 1 same_as_br-n-cd
    angle_coeff @angle:br-n-cd harmonic 62.340 118.190   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-n-c1 harmonic 73.520 102.690   # SOURCE3 1
    angle_coeff @angle:c1-n-ca harmonic 65.900 118.880   # SOURCE3 1
    angle_coeff @angle:c1-n-cc harmonic 67.020 118.880   # SOURCE3 1 same_as_c1-n-cd
    angle_coeff @angle:c1-n-cd harmonic 67.020 118.880   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-n-c2 harmonic 65.180 116.750   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-n-c3 harmonic 63.060 119.980   # SOURCE4 23 2.3373
    angle_coeff @angle:c2-n-ca harmonic 64.880 116.540   # SOURCE3 1
    angle_coeff @angle:c2-n-cc harmonic 65.850 116.540   # SOURCE3 1 same_as_c2-n-cd
    angle_coeff @angle:c2-n-cd harmonic 65.850 116.540   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-n-hn harmonic 47.330 118.360   # SOURCE4 40 1.8005
    angle_coeff @angle:c3-n-c3 harmonic 63.130 115.560   # SOURCE4 392 2.0191
    angle_coeff @angle:c3-n-ca harmonic 62.760 119.960   # SOURCE4 165 2.0808
    angle_coeff @angle:c3-n-cc harmonic 63.380 120.810   # SOURCE4 172 1.6565
    angle_coeff @angle:c3-n-cd harmonic 63.240 121.340   # SOURCE4 95 1.0297
    angle_coeff @angle:c3-n-cy harmonic 62.510 117.110   # SOURCE4 49 1.0344
    angle_coeff @angle:c3-n-hn harmonic 46.040 116.780   # SOURCE3 39 2.1985
    angle_coeff @angle:c3-n-n2 harmonic 64.890 121.680   # SOURCE4 52 1.3175
    angle_coeff @angle:c3-n-n harmonic 66.400 114.820   # SOURCE4 9 0.7008
    angle_coeff @angle:c3-n-nc harmonic 66.990 115.190   # SOURCE4 41 0.8150
    angle_coeff @angle:c3-n-nd harmonic 66.870 115.310   # SOURCE4 7 0.9993
    angle_coeff @angle:c3-n-oh harmonic 66.880 113.050   # SOURCE4 31 0.8144
    angle_coeff @angle:c3-n-os harmonic 66.990 112.650   # SOURCE4 16 1.5399
    angle_coeff @angle:c3-n-sy harmonic 76.610 121.270   # SOURCE4 5 1.1298
    angle_coeff @angle:ca-n-ca harmonic 64.310 117.390   # SOURCE4 39 1.6465
    angle_coeff @angle:ca-n-cc harmonic 64.270 121.000   # SOURCE4 16 1.8986
    angle_coeff @angle:ca-n-cd harmonic 68.060 107.900   # SOURCE4 18 0.3512
    angle_coeff @angle:ca-n-cl harmonic 61.550 117.720   # SOURCE3 1
    angle_coeff @angle:ca-n-f harmonic 64.620 114.920   # SOURCE3 1
    angle_coeff @angle:ca-n-hn harmonic 47.360 115.940   # SOURCE4 537 1.8890
    angle_coeff @angle:ca-n-i harmonic 56.580 119.300   # SOURCE3 1
    angle_coeff @angle:ca-n-n2 harmonic 65.720 122.170   # SOURCE4 5 0.2545
    angle_coeff @angle:ca-n-n4 harmonic 64.150 122.980   # SOURCE3 1
    angle_coeff @angle:ca-n-n harmonic 66.300 118.540   # SOURCE4 21 0.3399
    angle_coeff @angle:ca-n-na harmonic 66.330 119.310   # SOURCE4 16 0.3168
    angle_coeff @angle:ca-n-nc harmonic 68.180 114.630   # SOURCE4 5 0.3030
    angle_coeff @angle:ca-n-nd harmonic 68.570 113.030   # SOURCE3 1 same_as_ca-n-nc
    angle_coeff @angle:ca-n-nh harmonic 66.600 116.450   # SOURCE3 1
    angle_coeff @angle:ca-n-p2 harmonic 62.890 112.320   # SOURCE3 1
    angle_coeff @angle:ca-n-p3 harmonic 58.640 125.110   # SOURCE3 1
    angle_coeff @angle:ca-n-s4 harmonic 75.900 118.400   # SOURCE3 1
    angle_coeff @angle:ca-n-s6 harmonic 78.480 117.320   # SOURCE3 1
    angle_coeff @angle:ca-n-ss harmonic 78.660 116.600   # SOURCE3 1
    angle_coeff @angle:c-n-c1 harmonic 68.470 117.040   # SOURCE3 1 0.0000
    angle_coeff @angle:c-n-c2 harmonic 65.090 122.150   # SOURCE3 9 5.1016
    angle_coeff @angle:c-n-c3 harmonic 63.920 121.350   # SOURCE3 54 2.3808
    angle_coeff @angle:c3-nc-cd harmonic 67.600 109.510   # SOURCE3 9 5.4142
    angle_coeff @angle:c-n-c harmonic 65.330 127.140   # SOURCE4 514 2.0111
    angle_coeff @angle:c-n-ca harmonic 64.290 123.710   # SOURCE3 10 3.8159
    angle_coeff @angle:ca-nc-ca harmonic 70.730 109.950   # SOURCE3 1
    angle_coeff @angle:ca-nc-cd harmonic 72.670 104.240   # SOURCE4 187 1.2216
    angle_coeff @angle:ca-nc-n harmonic 73.700 104.690   # SOURCE3 1
    angle_coeff @angle:ca-nc-na harmonic 74.610 102.630   # SOURCE4 13 0.2570
    angle_coeff @angle:ca-nc-os harmonic 73.070 104.500   # SOURCE4 9 0.1740
    angle_coeff @angle:ca-nc-ss harmonic 85.860 116.290   # SOURCE3 1
    angle_coeff @angle:c-n-cc harmonic 65.240 124.190   # SOURCE3 57 2.2262
    angle_coeff @angle:c-nc-ca harmonic 66.430 120.660   # SOURCE3 1
    angle_coeff @angle:cc-n-cc harmonic 68.800 108.920   # SOURCE3 11 0.3167
    angle_coeff @angle:cc-nc-cc harmonic 68.600 110.190   # SOURCE3 1 0.0000
    angle_coeff @angle:cc-nc-cd harmonic 70.480 107.470   # SOURCE3 26 5.4053
    angle_coeff @angle:c-nc-cd harmonic 66.550 120.320   # SOURCE4 76 0.9196
    angle_coeff @angle:cc-n-cl harmonic 62.010 117.720   # SOURCE3 1 same_as_cd-n-cl
    angle_coeff @angle:cc-nc-na harmonic 73.380 102.970   # SOURCE3 1 0.0000
    angle_coeff @angle:cc-nc-nd harmonic 72.540 107.940   # SOURCE3 6 1.4052
    angle_coeff @angle:c-n-cd harmonic 65.240 124.190   # SOURCE3 57 2.2262
    angle_coeff @angle:cd-nc-cd harmonic 68.020 119.060   # SOURCE4 7 0.1559
    angle_coeff @angle:cd-nc-n harmonic 69.430 118.060   # SOURCE4 60 1.8266
    angle_coeff @angle:cd-nc-na harmonic 74.240 103.730   # SOURCE3 122 2.3292
    angle_coeff @angle:cd-nc-nc harmonic 72.470 106.430   # SOURCE4 9 0.7064
    angle_coeff @angle:cd-nc-os harmonic 73.170 104.300   # SOURCE4 58 1.0231
    angle_coeff @angle:cd-nc-ss harmonic 88.980 108.340   # SOURCE4 33 1.3882
    angle_coeff @angle:c-n-ce harmonic 62.210 131.830   # SOURCE4 146 1.3048
    angle_coeff @angle:cc-n-f harmonic 65.610 114.920   # SOURCE3 1 same_as_cd-n-f
    angle_coeff @angle:cc-n-hn harmonic 48.080 118.710   # SOURCE4 170 2.2963
    angle_coeff @angle:cc-n-i harmonic 56.610 119.300   # SOURCE3 1 same_as_cd-n-i
    angle_coeff @angle:c-n-cl harmonic 62.720 116.350   # SOURCE4 11 0.6829
    angle_coeff @angle:cc-n-n2 harmonic 70.090 110.870   # SOURCE3 1 same_as_cd-n-n2
    angle_coeff @angle:cc-n-n harmonic 66.530 121.370   # SOURCE3 1 same_as_cd-n-n
    angle_coeff @angle:cc-n-na harmonic 67.870 117.570   # SOURCE3 1 same_as_cd-n-na
    angle_coeff @angle:cc-n-nc harmonic 70.120 111.950   # SOURCE4 13 0.6972
    angle_coeff @angle:cc-n-nh harmonic 67.300 117.520   # SOURCE3 1 same_as_cd-n-nh
    angle_coeff @angle:cc-n-no harmonic 66.400 115.920   # SOURCE3 1 same_as_cd-n-no
    angle_coeff @angle:cc-n-o harmonic 70.070 120.540   # SOURCE3 1 same_as_cd-n-o
    angle_coeff @angle:cc-n-oh harmonic 67.320 118.150   # SOURCE3 1 same_as_cd-n-oh
    angle_coeff @angle:cc-n-os harmonic 68.060 115.560   # SOURCE3 1 same_as_cd-n-os
    angle_coeff @angle:cc-n-p2 harmonic 63.340 112.320   # SOURCE3 1 same_as_cd-n-p2
    angle_coeff @angle:cc-n-p3 harmonic 59.020 125.110   # SOURCE3 1 same_as_cd-n-p3
    angle_coeff @angle:cc-n-p5 harmonic 61.710 121.000   # SOURCE3 1 same_as_cd-n-p5
    angle_coeff @angle:cc-n-s4 harmonic 76.360 118.400   # SOURCE3 1 same_as_cd-n-s4
    angle_coeff @angle:cc-n-s6 harmonic 79.070 117.320   # SOURCE3 1 same_as_cd-n-s6
    angle_coeff @angle:cc-n-s harmonic 76.920 118.290   # SOURCE3 1 same_as_cd-n-s
    angle_coeff @angle:cc-n-sh harmonic 78.020 119.130   # SOURCE3 1 same_as_cd-n-sh
    angle_coeff @angle:cc-n-ss harmonic 79.250 116.600   # SOURCE3 2 same_as_cd-n-ss
    angle_coeff @angle:c-n-cx harmonic 64.220 122.070   # SOURCE4 11 1.9478
    angle_coeff @angle:c-n-cy harmonic 72.260 94.230   # SOURCE4 270 1.3777
    angle_coeff @angle:cd-n-cd harmonic 68.800 108.920   # SOURCE3 11 same_as_cc-n-cc
    angle_coeff @angle:cd-n-cl harmonic 62.010 117.720   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-f harmonic 65.610 114.920   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-hn harmonic 47.860 119.820   # SOURCE4 106 1.1020
    angle_coeff @angle:cd-n-i harmonic 56.610 119.300   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-n2 harmonic 70.090 110.870   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-n harmonic 66.530 121.370   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-na harmonic 67.870 117.570   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-nd harmonic 69.680 113.030   # SOURCE3 1 same_as_cc-n-nc
    angle_coeff @angle:cd-n-nh harmonic 67.300 117.520   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-no harmonic 66.400 115.920   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-o harmonic 70.070 120.540   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-oh harmonic 67.320 118.150   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-os harmonic 68.060 115.560   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-p2 harmonic 63.340 112.320   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-p3 harmonic 59.020 125.110   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-p5 harmonic 61.710 121.000   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-s4 harmonic 76.360 118.400   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-s6 harmonic 79.070 117.320   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-s harmonic 76.920 118.290   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-sh harmonic 78.020 119.130   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-n-ss harmonic 79.250 116.600   # SOURCE3 2 1.8318
    angle_coeff @angle:ce-n-cy harmonic 64.680 111.970   # SOURCE4 142 2.1245
    angle_coeff @angle:c-n-f harmonic 68.300 108.630   # SOURCE3 3 4.6785
    angle_coeff @angle:cf-n-cy harmonic 64.910 110.790   # SOURCE4 10 1.1677
    angle_coeff @angle:c-n-hn harmonic 49.210 118.460   # SOURCE3 157 2.4094
    angle_coeff @angle:c-n-i harmonic 56.340 120.380   # SOURCE3 5 2.1600
    angle_coeff @angle:cl-n-cl harmonic 63.240 111.690   # SOURCE3 1 0.0000
    angle_coeff @angle:c-n-n2 harmonic 68.060 120.590   # SOURCE3 9 3.2410
    angle_coeff @angle:c-n-n3 harmonic 67.130 120.430   # SOURCE3 5 0.9481
    angle_coeff @angle:c-n-n4 harmonic 68.850 112.320   # SOURCE3 5 1.2622
    angle_coeff @angle:c-n-n harmonic 68.180 118.420   # SOURCE3 10 2.8922
    angle_coeff @angle:c-n-na harmonic 68.250 119.200   # SOURCE3 11 2.3032
    angle_coeff @angle:na-nc-nd harmonic 75.970 105.470   # SOURCE3 6 0.6349
    angle_coeff @angle:c-n-nc harmonic 67.170 125.230   # SOURCE4 72 2.1204
    angle_coeff @angle:nc-nc-nd harmonic 73.150 111.150   # SOURCE3 3 same_as_nc-nd-nd
    angle_coeff @angle:c-n-nd harmonic 67.140 124.930   # SOURCE4 12 2.2148
    angle_coeff @angle:nd-nc-os harmonic 74.420 107.220   # SOURCE3 3 0.4707
    angle_coeff @angle:c-n-nh harmonic 68.020 117.810   # SOURCE4 21 1.5935
    angle_coeff @angle:c-n-no harmonic 66.470 118.160   # SOURCE3 4 5.4870
    angle_coeff @angle:c-n-o harmonic 71.640 118.900   # SOURCE3 9 5.4085
    angle_coeff @angle:c-n-oh harmonic 69.530 113.390   # SOURCE3 6 1.3345
    angle_coeff @angle:c-n-os harmonic 69.600 113.140   # SOURCE3 7 3.0839
    angle_coeff @angle:c-n-p2 harmonic 60.460 124.560   # SOURCE3 8 3.6907
    angle_coeff @angle:c-n-p3 harmonic 59.910 122.540   # SOURCE3 9 4.4802
    angle_coeff @angle:c-n-p4 harmonic 60.710 123.440   # SOURCE3 1 0.0000
    angle_coeff @angle:c-n-p5 harmonic 60.230 128.500   # SOURCE4 6 0.5353
    angle_coeff @angle:c-n-pc harmonic 60.840 122.230   # SOURCE3 3 2.8787
    angle_coeff @angle:c-n-pd harmonic 60.840 122.230   # SOURCE3 3 same_as_c-n-pc
    angle_coeff @angle:c-n-s4 harmonic 76.060 120.410   # SOURCE3 4 3.1760
    angle_coeff @angle:c-n-s6 harmonic 77.030 125.010   # SOURCE4 13 1.6314
    angle_coeff @angle:c-n-s harmonic 74.720 126.550   # SOURCE3 3 4.3365
    angle_coeff @angle:c-n-sh harmonic 78.300 119.540   # SOURCE3 4 1.7681
    angle_coeff @angle:c-n-ss harmonic 78.430 120.370   # SOURCE3 7 1.4450
    angle_coeff @angle:c-n-sy harmonic 77.090 124.810   # SOURCE4 51 1.0517
    angle_coeff @angle:cx-n-hn harmonic 46.260 118.580   # SOURCE4 5 0.3288
    angle_coeff @angle:cx-n-os harmonic 97.400 54.040   # SOURCE3 1 0.0000
    angle_coeff @angle:cy-n-hn harmonic 45.340 119.000   # SOURCE4 65 1.3840
    angle_coeff @angle:c3-nd-cc harmonic 67.600 109.510   # SOURCE3 9 same_as_c3-nc-cd
    angle_coeff @angle:ca-nd-ca harmonic 70.730 109.950   # SOURCE3 1 same_as_ca-nc-ca
    angle_coeff @angle:ca-nd-cc harmonic 72.240 105.470   # SOURCE4 250 2.4919
    angle_coeff @angle:ca-nd-n harmonic 73.580 104.690   # SOURCE3 1 same_as_ca-nc-n
    angle_coeff @angle:ca-nd-na harmonic 74.060 104.160   # SOURCE3 1 same_as_ca-nc-na
    angle_coeff @angle:ca-nd-nc harmonic 73.550 108.410   # SOURCE4 9 0.1575
    angle_coeff @angle:ca-nd-os harmonic 73.130 104.340   # SOURCE3 1 same_as_ca-nc-os
    angle_coeff @angle:ca-nd-ss harmonic 85.860 116.290   # SOURCE3 1 same_as_ca-nc-ss
    angle_coeff @angle:c-nd-ca harmonic 65.700 120.660   # SOURCE3 1 same_as_c-nc-ca
    angle_coeff @angle:c-nd-cc harmonic 65.710 120.680   # SOURCE4 62 1.4340
    angle_coeff @angle:cc-nd-cc harmonic 68.900 116.040   # SOURCE4 10 0.2861
    angle_coeff @angle:cc-nd-cd harmonic 71.090 105.630   # SOURCE4 1214 2.1301
    angle_coeff @angle:cc-nd-n harmonic 73.800 104.150   # SOURCE3 4 same_as_cd-nc-n
    angle_coeff @angle:cc-nd-na harmonic 74.240 103.730   # SOURCE3 122 2.3292
    angle_coeff @angle:cc-nd-nd harmonic 71.970 107.920   # SOURCE4 346 1.6831
    angle_coeff @angle:cc-nd-os harmonic 72.920 105.010   # SOURCE4 58 0.4186
    angle_coeff @angle:cc-nd-ss harmonic 89.270 107.640   # SOURCE4 12 0.4724
    angle_coeff @angle:cd-nd-cd harmonic 70.890 103.170   # SOURCE4 5 0.0317
    angle_coeff @angle:cd-nd-na harmonic 73.380 102.970   # SOURCE3 1 same_as_cc-nc-na
    angle_coeff @angle:cd-nd-nc harmonic 72.540 107.940   # SOURCE3 6 1.4052
    angle_coeff @angle:na-nd-nc harmonic 75.970 105.470   # SOURCE3 6 0.6349
    angle_coeff @angle:nc-nd-nd harmonic 73.100 111.300   # SOURCE4 58 0.2082
    angle_coeff @angle:nc-nd-os harmonic 74.420 107.220   # SOURCE3 3 same_as_nd-nc-os
    angle_coeff @angle:c1-ne-ca harmonic 60.080 152.480   # SOURCE4 8 1.5840
    angle_coeff @angle:c1-ne-cg harmonic 66.000 140.000   # SOURCE2 1 0.0000
    angle_coeff @angle:c2-ne-ca harmonic 66.060 120.920   # SOURCE4 53 1.9651
    angle_coeff @angle:c2-ne-ce harmonic 67.330 118.170   # SOURCE3 3 1.2374
    angle_coeff @angle:c2-ne-cg harmonic 68.360 123.580   # SOURCE4 12 0.8560
    angle_coeff @angle:c2-ne-n2 harmonic 74.560 113.310   # SOURCE3 1
    angle_coeff @angle:c2-ne-ne harmonic 69.170 110.860   # SOURCE3 7 4.5874
    angle_coeff @angle:c2-ne-p2 harmonic 63.870 134.030   # SOURCE3 1
    angle_coeff @angle:c2-ne-pe harmonic 62.610 120.520   # SOURCE3 8 8.1381
    angle_coeff @angle:c2-ne-px harmonic 63.660 117.750   # SOURCE3 5 0.8581
    angle_coeff @angle:c2-ne-py harmonic 66.630 117.040   # SOURCE3 3 1.4398
    angle_coeff @angle:c2-ne-sx harmonic 77.140 111.980   # SOURCE3 3 0.4090
    angle_coeff @angle:c2-ne-sy harmonic 77.530 120.970   # SOURCE4 6 0.2394
    angle_coeff @angle:ca-ne-cf harmonic 65.630 121.760   # SOURCE4 9 1.9872
    angle_coeff @angle:ca-ne-n2 harmonic 69.660 114.270   # SOURCE4 9 0.4600
    angle_coeff @angle:ca-ne-nf harmonic 69.710 115.050   # SOURCE4 22 0.7409
    angle_coeff @angle:ca-ne-o harmonic 71.100 113.960   # SOURCE3 3 1.1253
    angle_coeff @angle:ca-ne-p2 harmonic 65.650 118.090   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-ne-s harmonic 83.220 120.110   # SOURCE3 1 0.0000
    angle_coeff @angle:c-ne-c2 harmonic 67.860 118.530   # SOURCE3 3 3.2058
    angle_coeff @angle:ce-ne-n2 harmonic 71.160 111.190   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-ne-o harmonic 72.260 112.160   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-ne-p2 harmonic 66.250 117.020   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-ne-s harmonic 84.980 116.280   # SOURCE3 1 0.0000
    angle_coeff @angle:cg-ne-n1 harmonic 71.710 120.200   # SOURCE2 1 0.0000
    angle_coeff @angle:cg-ne-n2 harmonic 73.160 113.390   # SOURCE3 1 0.0000
    angle_coeff @angle:cg-ne-o harmonic 74.430 114.700   # SOURCE2 1 0.0000
    angle_coeff @angle:cg-ne-p2 harmonic 66.960 119.570   # SOURCE3 1 0.0000
    angle_coeff @angle:cg-ne-s harmonic 86.420 117.700   # SOURCE3 1 0.0000
    angle_coeff @angle:c-ne-sy harmonic 78.040 116.050   # SOURCE4 6 1.2661
    angle_coeff @angle:n2-ne-n2 harmonic 78.590 107.220   # SOURCE3 1
    angle_coeff @angle:n2-ne-ne harmonic 70.940 110.720   # SOURCE3 9 6.1488
    angle_coeff @angle:n2-ne-o harmonic 78.090 114.100   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-ne-p2 harmonic 72.370 109.660   # SOURCE3 1
    angle_coeff @angle:n2-ne-pe harmonic 66.510 112.150   # SOURCE3 7 6.5273
    angle_coeff @angle:n2-ne-px harmonic 65.740 115.970   # SOURCE3 3 1.9854
    angle_coeff @angle:n2-ne-py harmonic 69.010 114.600   # SOURCE3 3 2.9261
    angle_coeff @angle:n2-ne-s harmonic 90.200 115.900   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-ne-sx harmonic 80.750 107.290   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-ne-sy harmonic 82.850 111.210   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-ne-o harmonic 72.280 110.450   # SOURCE3 10 1.8535
    angle_coeff @angle:ne-ne-p2 harmonic 67.420 114.390   # SOURCE3 6 4.0528
    angle_coeff @angle:ne-ne-s harmonic 85.550 115.950   # SOURCE3 6 3.4604
    angle_coeff @angle:o-ne-o harmonic 76.910 124.090   # SOURCE3 2 8.7534
    angle_coeff @angle:o-ne-pe harmonic 61.880 132.320   # SOURCE3 11 23.9559
    angle_coeff @angle:o-ne-px harmonic 68.040 110.620   # SOURCE3 1 0.0000
    angle_coeff @angle:o-ne-py harmonic 71.120 110.790   # SOURCE3 4 1.6818
    angle_coeff @angle:o-ne-s harmonic 91.120 117.190   # SOURCE3 2 0.0225
    angle_coeff @angle:o-ne-sx harmonic 80.740 108.920   # SOURCE3 1 0.0000
    angle_coeff @angle:o-ne-sy harmonic 83.600 111.340   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-ne-pe harmonic 65.270 116.810   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-ne-px harmonic 62.490 128.350   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-ne-py harmonic 65.650 123.470   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-ne-sx harmonic 80.480 112.120   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-ne-sy harmonic 81.800 115.730   # SOURCE3 1 0.0000
    angle_coeff @angle:pe-ne-s harmonic 83.520 115.730   # SOURCE3 1 0.0000
    angle_coeff @angle:px-ne-s harmonic 78.540 131.840   # SOURCE3 1 0.0000
    angle_coeff @angle:py-ne-s harmonic 86.300 116.180   # SOURCE3 4 3.7135
    angle_coeff @angle:s-ne-s harmonic 109.960 120.870   # SOURCE3 1 0.0000
    angle_coeff @angle:s-ne-sx harmonic 101.960 112.960   # SOURCE3 1 0.0000
    angle_coeff @angle:s-ne-sy harmonic 102.420 119.630   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-nf-ca harmonic 63.220 137.740   # SOURCE3 1 same_as_c1-ne-ca
    angle_coeff @angle:c1-nf-ch harmonic 66.000 140.000   # SOURCE2 1 same_as_c1-ne-cg
    angle_coeff @angle:c2-nf-ca harmonic 66.690 118.670   # SOURCE3 2 same_as_c2-ne-ca
    angle_coeff @angle:c2-nf-cf harmonic 67.330 118.170   # SOURCE3 3 same_as_c2-ne-ce
    angle_coeff @angle:c2-nf-n2 harmonic 74.560 113.310   # SOURCE3 1 same_as_c2-ne-n2
    angle_coeff @angle:c2-nf-nf harmonic 69.170 110.860   # SOURCE3 7 same_as_c2-ne-ne
    angle_coeff @angle:c2-nf-p2 harmonic 63.870 134.030   # SOURCE3 1 same_as_c2-ne-p2
    angle_coeff @angle:c2-nf-pf harmonic 62.610 120.520   # SOURCE3 8 same_as_c2-ne-pe
    angle_coeff @angle:c2-nf-px harmonic 63.660 117.750   # SOURCE3 5 same_as_c2-ne-px
    angle_coeff @angle:c2-nf-py harmonic 66.630 117.040   # SOURCE3 3 same_as_c2-ne-py
    angle_coeff @angle:c2-nf-sx harmonic 77.140 111.980   # SOURCE3 3 same_as_c2-ne-sx
    angle_coeff @angle:c2-nf-sy harmonic 79.580 114.810   # SOURCE3 3 same_as_c2-ne-sy
    angle_coeff @angle:ca-nf-ce harmonic 65.450 122.300   # SOURCE4 6 1.8938
    angle_coeff @angle:ca-nf-n2 harmonic 70.020 113.110   # SOURCE3 2 same_as_ca-ne-n2
    angle_coeff @angle:ca-nf-ne harmonic 69.660 115.190   # SOURCE4 22 0.6536
    angle_coeff @angle:ca-nf-o harmonic 71.100 113.960   # SOURCE3 3 same_as_ca-ne-o
    angle_coeff @angle:ca-nf-p2 harmonic 65.650 118.090   # SOURCE3 1 same_as_ca-ne-p2
    angle_coeff @angle:ca-nf-s harmonic 83.220 120.110   # SOURCE3 1 same_as_ca-ne-s
    angle_coeff @angle:c-nf-c2 harmonic 67.770 118.530   # SOURCE3 3 same_as_c-ne-c2
    angle_coeff @angle:cf-nf-n2 harmonic 71.160 111.190   # SOURCE3 1 same_as_ce-ne-n2
    angle_coeff @angle:cf-nf-o harmonic 72.260 112.160   # SOURCE3 1 same_as_ce-ne-o
    angle_coeff @angle:cf-nf-p2 harmonic 66.250 117.020   # SOURCE3 1 same_as_ce-ne-p2
    angle_coeff @angle:cf-nf-s harmonic 84.980 116.280   # SOURCE3 1 same_as_ce-ne-s
    angle_coeff @angle:ch-nf-n1 harmonic 71.710 120.200   # SOURCE2 1 same_as_cg-ne-n1
    angle_coeff @angle:ch-nf-n2 harmonic 73.160 113.390   # SOURCE3 1 same_as_cg-ne-n2
    angle_coeff @angle:ch-nf-o harmonic 74.430 114.700   # SOURCE2 1 same_as_cg-ne-o
    angle_coeff @angle:ch-nf-p2 harmonic 66.960 119.570   # SOURCE3 1 same_as_cg-ne-p2
    angle_coeff @angle:ch-nf-s harmonic 86.420 117.700   # SOURCE3 1 same_as_cg-ne-s
    angle_coeff @angle:f-n-f harmonic 67.900 102.980   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-nf-n2 harmonic 78.590 107.220   # SOURCE3 1 same_as_n2-ne-n2
    angle_coeff @angle:n2-nf-nf harmonic 70.940 110.720   # SOURCE3 9 same_as_n2-ne-ne
    angle_coeff @angle:n2-nf-o harmonic 78.090 114.100   # SOURCE3 1 same_as_n2-ne-o
    angle_coeff @angle:n2-nf-p2 harmonic 72.370 109.660   # SOURCE3 1 same_as_n2-ne-p2
    angle_coeff @angle:n2-nf-pf harmonic 66.510 112.150   # SOURCE3 7 same_as_n2-ne-pe
    angle_coeff @angle:n2-nf-px harmonic 65.740 115.970   # SOURCE3 3 same_as_n2-ne-px
    angle_coeff @angle:n2-nf-py harmonic 69.010 114.600   # SOURCE3 3 same_as_n2-ne-py
    angle_coeff @angle:n2-nf-s harmonic 90.200 115.900   # SOURCE3 1 same_as_n2-ne-s
    angle_coeff @angle:n2-nf-sx harmonic 80.750 107.290   # SOURCE3 1 same_as_n2-ne-sx
    angle_coeff @angle:n2-nf-sy harmonic 82.850 111.210   # SOURCE3 1 same_as_n2-ne-sy
    angle_coeff @angle:nf-nf-o harmonic 72.280 110.450   # SOURCE3 10 same_as_ne-ne-o
    angle_coeff @angle:nf-nf-p2 harmonic 67.420 114.390   # SOURCE3 6 same_as_ne-ne-p2
    angle_coeff @angle:nf-nf-s harmonic 85.550 115.950   # SOURCE3 6 same_as_ne-ne-s
    angle_coeff @angle:o-nf-o harmonic 76.910 124.090   # SOURCE3 2 same_as_o-ne-o
    angle_coeff @angle:o-nf-pf harmonic 61.880 132.320   # SOURCE3 11 same_as_o-ne-pe
    angle_coeff @angle:o-nf-px harmonic 68.040 110.620   # SOURCE3 1 same_as_o-ne-px
    angle_coeff @angle:o-nf-py harmonic 71.120 110.790   # SOURCE3 4 same_as_o-ne-py
    angle_coeff @angle:o-nf-s harmonic 91.120 117.190   # SOURCE3 2 same_as_o-ne-s
    angle_coeff @angle:o-nf-sx harmonic 80.740 108.920   # SOURCE3 1 same_as_o-ne-sx
    angle_coeff @angle:o-nf-sy harmonic 83.600 111.340   # SOURCE3 1 same_as_o-ne-sy
    angle_coeff @angle:p2-nf-pf harmonic 65.270 116.810   # SOURCE3 1 same_as_p2-ne-pe
    angle_coeff @angle:p2-nf-px harmonic 62.490 128.350   # SOURCE3 1 same_as_p2-ne-px
    angle_coeff @angle:p2-nf-py harmonic 65.650 123.470   # SOURCE3 1 same_as_p2-ne-py
    angle_coeff @angle:p2-nf-sx harmonic 80.480 112.120   # SOURCE3 1 same_as_p2-ne-sx
    angle_coeff @angle:p2-nf-sy harmonic 81.800 115.730   # SOURCE3 1 same_as_p2-ne-sy
    angle_coeff @angle:pf-nf-s harmonic 83.520 115.730   # SOURCE3 1 same_as_pe-ne-s
    angle_coeff @angle:px-nf-s harmonic 78.540 131.840   # SOURCE3 1 same_as_px-ne-s
    angle_coeff @angle:py-nf-s harmonic 86.300 116.180   # SOURCE3 4 same_as_py-ne-s
    angle_coeff @angle:s-nf-s harmonic 109.960 120.870   # SOURCE3 1 same_as_s-ne-s
    angle_coeff @angle:s-nf-sx harmonic 101.960 112.960   # SOURCE3 1 same_as_s-ne-sx
    angle_coeff @angle:s-nf-sy harmonic 102.420 119.630   # SOURCE3 1 same_as_s-ne-sy
    angle_coeff @angle:br-nh-br harmonic 67.090 106.270   # SOURCE3 1
    angle_coeff @angle:br-nh-ca harmonic 62.040 111.880   # SOURCE3 1 0.0000
    angle_coeff @angle:br-nh-hn harmonic 42.110 101.560   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-nh-c1 harmonic 68.330 116.980   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-nh-c2 harmonic 66.360 122.710   # SOURCE4 5 1.0077
    angle_coeff @angle:c1-nh-ca harmonic 66.220 122.360   # SOURCE3 3 1.2016
    angle_coeff @angle:c1-nh-hn harmonic 49.550 117.300   # SOURCE4 8 0.7120
    angle_coeff @angle:c2-nh-c2 harmonic 65.540 124.500   # SOURCE4 43 1.7515
    angle_coeff @angle:c2-nh-c3 harmonic 63.170 123.710   # SOURCE3 8 3.5348
    angle_coeff @angle:c2-nh-ca harmonic 64.590 127.340   # SOURCE4 97 2.4321
    angle_coeff @angle:c2-nh-cc harmonic 64.990 125.770   # SOURCE4 6 1.4868
    angle_coeff @angle:c2-nh-cd harmonic 64.840 126.330   # SOURCE4 5 0.9167
    angle_coeff @angle:c2-nh-cx harmonic 63.080 124.440   # SOURCE4 10 1.6817
    angle_coeff @angle:c2-nh-hn harmonic 49.620 114.890   # SOURCE4 1000 1.4571
    angle_coeff @angle:c2-nh-n2 harmonic 68.360 120.000   # SOURCE4 33 1.1823
    angle_coeff @angle:c2-nh-n3 harmonic 67.570 116.980   # SOURCE4 14 1.4183
    angle_coeff @angle:c2-nh-no harmonic 66.090 125.630   # SOURCE4 7 0.7554
    angle_coeff @angle:c2-nh-oh harmonic 69.450 112.510   # SOURCE4 12 1.1687
    angle_coeff @angle:c2-nh-os harmonic 69.270 112.930   # SOURCE4 6 0.3945
    angle_coeff @angle:c2-nh-sy harmonic 78.160 121.130   # SOURCE4 10 0.5133
    angle_coeff @angle:c3-nh-c3 harmonic 63.530 114.440   # SOURCE4 523 2.1428
    angle_coeff @angle:c3-nh-ca harmonic 64.560 117.770   # SOURCE3 8 1.7521
    angle_coeff @angle:c3-nh-cc harmonic 63.650 121.180   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-nh-cd harmonic 64.170 119.220   # SOURCE4 162 2.4515
    angle_coeff @angle:c3-nh-cf harmonic 63.620 119.920   # SOURCE4 20 1.8571
    angle_coeff @angle:c3-nh-cz harmonic 63.010 125.510   # SOURCE4 12 0.5177
    angle_coeff @angle:c3-nh-hn harmonic 46.460 114.950   # SOURCE3 19 2.4787
    angle_coeff @angle:c3-nh-n2 harmonic 67.890 112.350   # SOURCE3 9 4.0058
    angle_coeff @angle:c3-nh-n harmonic 67.100 111.710   # SOURCE4 6 2.4251
    angle_coeff @angle:c3-nh-na harmonic 66.920 112.430   # SOURCE4 8 1.4219
    angle_coeff @angle:c3-nh-p2 harmonic 60.930 123.350   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-nh-sy harmonic 78.350 116.120   # SOURCE4 13 1.2830
    angle_coeff @angle:ca-nh-ca harmonic 64.340 127.460   # SOURCE3 2 0.0002
    angle_coeff @angle:ca-nh-cc harmonic 63.730 129.910   # SOURCE4 29 1.3269
    angle_coeff @angle:ca-nh-cd harmonic 63.880 129.310   # SOURCE4 9 1.5610
    angle_coeff @angle:ca-nh-cl harmonic 62.010 113.150   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-nh-cx harmonic 63.110 123.630   # SOURCE4 36 0.5899
    angle_coeff @angle:ca-nh-f harmonic 67.900 106.090   # SOURCE3 3 1.0660
    angle_coeff @angle:ca-nh-hn harmonic 49.080 116.130   # SOURCE4 1780 1.2853
    angle_coeff @angle:ca-nh-i harmonic 55.550 117.830   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-nh-n1 harmonic 69.370 117.130   # HF/6-31G* 1
    angle_coeff @angle:ca-nh-n2 harmonic 67.820 121.110   # SOURCE4 19 0.9700
    angle_coeff @angle:ca-nh-n3 harmonic 68.180 114.210   # SOURCE3 6 2.2412
    angle_coeff @angle:ca-nh-n4 harmonic 68.560 108.940   # SOURCE3 5 0.6562
    angle_coeff @angle:ca-nh-n harmonic 68.070 116.150   # SOURCE4 12 0.8135
    angle_coeff @angle:ca-nh-na harmonic 68.580 114.540   # SOURCE3 8 0.7807
    angle_coeff @angle:ca-nh-nh harmonic 68.490 114.870   # SOURCE3 6 2.1432
    angle_coeff @angle:ca-nh-no harmonic 69.190 113.920   # SOURCE3 4 2.9561
    angle_coeff @angle:ca-nh-o harmonic 69.640 121.920   # SOURCE3 2 3.9630
    angle_coeff @angle:ca-nh-oh harmonic 69.150 112.800   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-nh-os harmonic 69.930 110.170   # SOURCE3 3 0.6448
    angle_coeff @angle:ca-nh-p2 harmonic 61.620 125.270   # SOURCE3 8 5.1798
    angle_coeff @angle:ca-nh-p3 harmonic 60.110 125.700   # SOURCE3 3 5.7796
    angle_coeff @angle:ca-nh-p4 harmonic 61.180 124.010   # SOURCE3 3 2.5810
    angle_coeff @angle:ca-nh-p5 harmonic 61.760 125.610   # SOURCE3 3 0.5287
    angle_coeff @angle:ca-nh-s4 harmonic 78.630 115.620   # SOURCE3 3 0.3434
    angle_coeff @angle:ca-nh-s6 harmonic 77.920 123.530   # SOURCE4 33 2.0385
    angle_coeff @angle:ca-nh-s harmonic 75.150 122.540   # SOURCE3 3 2.7001
    angle_coeff @angle:ca-nh-sh harmonic 78.190 121.410   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-nh-ss harmonic 78.160 121.500   # SOURCE3 3 2.6255
    angle_coeff @angle:ca-nh-sy harmonic 76.750 125.260   # SOURCE4 41 1.7517
    angle_coeff @angle:cc-nh-cx harmonic 63.320 122.820   # SOURCE4 42 1.1841
    angle_coeff @angle:cc-nh-hn harmonic 48.860 117.160   # SOURCE3 11 2.6137
    angle_coeff @angle:cc-nh-n2 harmonic 68.230 119.660   # SOURCE4 5 1.3903
    angle_coeff @angle:cc-nh-sy harmonic 77.480 122.910   # SOURCE4 23 1.2029
    angle_coeff @angle:cd-nh-cx harmonic 62.500 126.090   # SOURCE4 16 2.3269
    angle_coeff @angle:cd-nh-hn harmonic 48.860 117.160   # SOURCE3 11 2.6137
    angle_coeff @angle:ce-nh-hn harmonic 48.340 115.620   # SOURCE4 187 1.0421
    angle_coeff @angle:ce-nh-o harmonic 66.820 129.430   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-nh-sy harmonic 80.450 112.970   # SOURCE4 7 1.0636
    angle_coeff @angle:cf-nh-hn harmonic 48.620 115.620   # SOURCE4 16 1.3549
    angle_coeff @angle:cf-nh-o harmonic 67.070 129.430   # SOURCE3 1 same_as_ce-nh-o
    angle_coeff @angle:cl-nh-cl harmonic 62.930 106.600   # SOURCE3 1
    angle_coeff @angle:cl-nh-hn harmonic 43.080 104.140   # SOURCE3 1 0.0000
    angle_coeff @angle:cx-nh-cx harmonic 86.530 62.020   # SOURCE4 45 0.6189
    angle_coeff @angle:cx-nh-hn harmonic 45.790 118.890   # SOURCE4 8 0.1391
    angle_coeff @angle:cz-nh-hn harmonic 48.790 121.240   # SOURCE4 40 0.5682
    angle_coeff @angle:f-nh-f harmonic 66.930 101.700   # SOURCE3 1 0.0000
    angle_coeff @angle:f-nh-hn harmonic 49.800 101.230   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-nh-hn harmonic 40.050 114.850   # SOURCE4 1108 2.0811
    angle_coeff @angle:hn-nh-i harmonic 36.550 107.570   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-nh-n1 harmonic 52.310 110.570   # HF/6-31G* 1
    angle_coeff @angle:hn-nh-n2 harmonic 50.080 118.220   # SOURCE4 75 2.3319
    angle_coeff @angle:hn-nh-n3 harmonic 50.050 109.120   # SOURCE3 5 2.3680
    angle_coeff @angle:hn-nh-n4 harmonic 49.690 104.400   # SOURCE3 3 0.5056
    angle_coeff @angle:hn-nh-n harmonic 50.890 107.960   # SOURCE4 16 1.2025
    angle_coeff @angle:hn-nh-na harmonic 50.950 107.910   # SOURCE3 26 1.5528
    angle_coeff @angle:hn-nh-nh harmonic 50.320 110.640   # SOURCE4 8 1.3390
    angle_coeff @angle:hn-nh-no harmonic 50.990 109.930   # SOURCE4 7 0.2027
    angle_coeff @angle:hn-nh-o harmonic 52.990 116.450   # SOURCE3 2 0.6063
    angle_coeff @angle:hn-nh-oh harmonic 51.130 106.550   # SOURCE4 8 0.4590
    angle_coeff @angle:hn-nh-os harmonic 51.510 104.760   # SOURCE3 3 0.4883
    angle_coeff @angle:hn-nh-p2 harmonic 42.970 118.180   # SOURCE3 21 3.6927
    angle_coeff @angle:hn-nh-p3 harmonic 41.930 116.190   # SOURCE3 3 3.0539
    angle_coeff @angle:hn-nh-p4 harmonic 43.250 112.600   # SOURCE3 3 0.8237
    angle_coeff @angle:hn-nh-p5 harmonic 43.730 115.260   # SOURCE3 3 0.9168
    angle_coeff @angle:hn-nh-s4 harmonic 54.500 107.480   # SOURCE3 3 1.3960
    angle_coeff @angle:hn-nh-s harmonic 51.650 114.370   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-nh-s6 harmonic 55.730 109.980   # SOURCE4 29 0.7478
    angle_coeff @angle:hn-nh-sh harmonic 54.760 112.250   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-nh-ss harmonic 54.360 113.890   # SOURCE3 3 1.4030
    angle_coeff @angle:hn-nh-sy harmonic 54.780 111.230   # SOURCE4 62 1.1413
    angle_coeff @angle:i-nh-i harmonic 59.800 115.820   # SOURCE3 1
    angle_coeff @angle:n1-nh-n1 harmonic 75.130 106.710   # HF/6-31G* 1
    angle_coeff @angle:n2-nh-n2 harmonic 70.760 117.500   # SOURCE3 2 1.1907
    angle_coeff @angle:n2-nh-n3 harmonic 69.630 115.540   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-nh-o harmonic 70.400 126.060   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-nh-n3 harmonic 69.520 110.980   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-nh-n4 harmonic 68.150 108.360   # SOURCE3 1 0.0000
    angle_coeff @angle:na-nh-na harmonic 70.140 112.010   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n-hn harmonic 39.730 117.850   # SOURCE3 15 2.3694
    angle_coeff @angle:nh-nh-nh harmonic 70.070 112.230   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n-i harmonic 36.080 117.240   # SOURCE3 2 0.4435
    angle_coeff @angle:hn-n-n2 harmonic 49.620 118.330   # SOURCE3 5 2.2377
    angle_coeff @angle:hn-n-n3 harmonic 48.690 117.220   # SOURCE4 37 1.3737
    angle_coeff @angle:hn-n-n4 harmonic 48.900 112.680   # SOURCE3 3 1.9746
    angle_coeff @angle:hn-n-n harmonic 50.140 113.120   # SOURCE3 7 3.2954
    angle_coeff @angle:hn-n-na harmonic 50.400 113.550   # SOURCE3 8 1.9324
    angle_coeff @angle:hn-n-nc harmonic 50.760 115.240   # SOURCE4 10 0.4966
    angle_coeff @angle:hn-n-nh harmonic 49.740 113.130   # SOURCE4 12 1.2125
    angle_coeff @angle:hn-n-no harmonic 48.710 110.110   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n-o harmonic 53.830 116.320   # SOURCE3 2 0.0175
    angle_coeff @angle:n-nh-o harmonic 72.070 115.630   # SOURCE3 1
    angle_coeff @angle:hn-n-oh harmonic 50.330 110.710   # SOURCE4 46 1.1278
    angle_coeff @angle:no-nh-no harmonic 72.070 108.550   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n-os harmonic 50.520 109.820   # SOURCE4 12 0.6996
    angle_coeff @angle:hn-n-p2 harmonic 41.490 118.050   # SOURCE3 7 3.0564
    angle_coeff @angle:hn-n-p3 harmonic 40.240 119.630   # SOURCE3 2 0.0000
    angle_coeff @angle:hn-n-p4 harmonic 41.880 115.710   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n-p5 harmonic 43.060 113.200   # SOURCE4 6 1.0341
    angle_coeff @angle:hn-n-s4 harmonic 52.120 112.460   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n-s harmonic 52.060 114.920   # SOURCE3 2 0.0260
    angle_coeff @angle:hn-n-s6 harmonic 54.500 112.180   # SOURCE4 6 0.6101
    angle_coeff @angle:hn-n-sh harmonic 53.400 114.910   # SOURCE3 1 0.0000
    angle_coeff @angle:hn-n-ss harmonic 53.620 115.600   # SOURCE3 3 0.6414
    angle_coeff @angle:hn-n-sy harmonic 54.450 112.340   # SOURCE4 38 0.6039
    angle_coeff @angle:oh-nh-oh harmonic 72.150 106.270   # SOURCE3 1
    angle_coeff @angle:o-nh-o harmonic 72.240 128.060   # SOURCE3 1
    angle_coeff @angle:os-nh-os harmonic 72.410 105.270   # SOURCE3 1
    angle_coeff @angle:p2-nh-p2 harmonic 61.230 127.330   # SOURCE3 2 2.7857
    angle_coeff @angle:p3-nh-p3 harmonic 59.950 125.080   # SOURCE3 1
    angle_coeff @angle:p5-nh-p5 harmonic 65.370 112.760   # SOURCE3 1
    angle_coeff @angle:s4-nh-s4 harmonic 100.210 112.390   # SOURCE3 1
    angle_coeff @angle:s6-nh-s6 harmonic 99.870 120.270   # SOURCE3 1
    angle_coeff @angle:sh-nh-sh harmonic 99.730 119.000   # SOURCE3 1
    angle_coeff @angle:s-nh-s harmonic 95.590 118.730   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-nh-ss harmonic 99.620 119.250   # SOURCE3 1
    angle_coeff @angle:i-n-i harmonic 60.660 118.200   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-n-n2 harmonic 70.160 116.890   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-n-n3 harmonic 68.020 117.940   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-n-n4 harmonic 68.420 112.690   # SOURCE3 1 0.0000
    angle_coeff @angle:na-n-na harmonic 69.610 117.380   # SOURCE3 1 0.0000
    angle_coeff @angle:nc-n-nc harmonic 71.080 116.410   # SOURCE3 1 0.0000
    angle_coeff @angle:nc-n-p2 harmonic 63.760 117.210   # SOURCE3 1
    angle_coeff @angle:nc-n-pc harmonic 63.550 117.210   # SOURCE3 1 0.0000
    angle_coeff @angle:nd-n-nd harmonic 70.860 116.410   # SOURCE3 1 same_as_nc-n-nc
    angle_coeff @angle:nd-n-p2 harmonic 63.720 117.210   # SOURCE3 1 same_as_nc-n-p2
    angle_coeff @angle:nd-n-pd harmonic 63.510 117.210   # SOURCE3 1 same_as_nc-n-pc
    angle_coeff @angle:nh-n-nh harmonic 69.100 115.180   # SOURCE3 1 0.0000
    angle_coeff @angle:n-n-n harmonic 69.890 114.620   # SOURCE3 1 0.0000
    angle_coeff @angle:no-n-no harmonic 68.520 108.660   # SOURCE3 1 0.0000
    angle_coeff @angle:br-no-o harmonic 58.480 113.190   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-no-o harmonic 71.340 116.630   # SOURCE3 6 0.0000
    angle_coeff @angle:c2-no-o harmonic 69.870 116.870   # SOURCE3 8 0.4200
    angle_coeff @angle:c3-no-o harmonic 66.960 116.560   # SOURCE3 6 0.3959
    angle_coeff @angle:ca-no-o harmonic 68.740 118.100   # SOURCE3 10 1.1524
    angle_coeff @angle:cc-no-o harmonic 70.340 117.520   # SOURCE4 198 0.6255
    angle_coeff @angle:cl-no-o harmonic 61.610 115.080   # SOURCE3 2 0.0000
    angle_coeff @angle:c-no-o harmonic 67.100 115.260   # SOURCE3 1
    angle_coeff @angle:hn-no-o harmonic 55.310 115.490   # SOURCE3 2 0.0000
    angle_coeff @angle:oh-n-oh harmonic 72.050 107.260   # SOURCE3 1 0.0000
    angle_coeff @angle:i-no-o harmonic 54.600 116.310   # SOURCE3 2 0.0000
    angle_coeff @angle:n1-no-o harmonic 73.780 115.000   # HF/6-31G* 1
    angle_coeff @angle:n2-no-o harmonic 65.790 115.100   # SOURCE2 2 2.4000
    angle_coeff @angle:n3-no-o harmonic 72.010 115.560   # SOURCE3 6 0.6427
    angle_coeff @angle:n4-no-o harmonic 72.870 109.000   # SOURCE3 2 0.0000
    angle_coeff @angle:na-no-o harmonic 72.240 115.490   # SOURCE3 18 0.5640
    angle_coeff @angle:nh-no-o harmonic 74.080 115.710   # SOURCE3 8 0.4811
    angle_coeff @angle:n-no-o harmonic 71.670 115.410   # SOURCE3 8 0.3748
    angle_coeff @angle:no-no-o harmonic 59.920 112.380   # SOURCE3 4 0.0000
    angle_coeff @angle:o-n-o harmonic 73.390 128.610   # SOURCE3 3 1.0626
    angle_coeff @angle:o-no-o harmonic 77.150 125.130   # SOURCE4 461 0.7605
    angle_coeff @angle:o-no-oh harmonic 74.090 114.700   # SOURCE3 2 0.0000
    angle_coeff @angle:o-no-os harmonic 73.710 114.010   # SOURCE3 8 0.9778
    angle_coeff @angle:o-no-p2 harmonic 64.840 117.380   # SOURCE3 20 0.8083
    angle_coeff @angle:o-no-p3 harmonic 61.420 116.780   # SOURCE3 6 0.4929
    angle_coeff @angle:o-no-p4 harmonic 60.600 116.640   # SOURCE3 6 0.0089
    angle_coeff @angle:o-no-p5 harmonic 61.770 116.690   # SOURCE3 8 0.4507
    angle_coeff @angle:o-no-s4 harmonic 72.320 114.490   # SOURCE3 6 0.5674
    angle_coeff @angle:o-no-s6 harmonic 73.140 114.390   # SOURCE3 6 0.8311
    angle_coeff @angle:o-no-s harmonic 81.060 119.810   # SOURCE3 4 0.0042
    angle_coeff @angle:o-no-sh harmonic 79.650 116.100   # SOURCE3 2 0.0000
    angle_coeff @angle:o-no-ss harmonic 78.810 115.580   # SOURCE3 6 0.5860
    angle_coeff @angle:os-n-os harmonic 72.280 106.530   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-n-p2 harmonic 61.200 119.620   # SOURCE3 1
    angle_coeff @angle:p3-n-p3 harmonic 62.850 108.730   # SOURCE3 3 0.2591
    angle_coeff @angle:p4-n-p4 harmonic 64.210 108.550   # SOURCE3 1
    angle_coeff @angle:p5-n-p5 harmonic 67.920 99.990   # SOURCE3 1
    angle_coeff @angle:pc-n-pc harmonic 60.950 119.620   # SOURCE3 1 0.0000
    angle_coeff @angle:pd-n-pd harmonic 60.950 119.620   # SOURCE3 1 same_as_pc-n-pc
    angle_coeff @angle:s4-n-s4 harmonic 97.760 113.750   # SOURCE3 1 0.0000
    angle_coeff @angle:s6-n-s6 harmonic 99.030 119.680   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-n-sh harmonic 98.560 119.030   # SOURCE3 1 0.0000
    angle_coeff @angle:s-n-s harmonic 93.680 126.000   # SOURCE3 1
    angle_coeff @angle:ss-n-ss harmonic 99.420 118.490   # SOURCE3 1 0.0000
    angle_coeff @angle:br-oh-ho harmonic 42.150 101.600   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-oh-ho harmonic 50.200 108.760   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-oh-ho harmonic 49.910 108.980   # SOURCE3 6 2.2379
    angle_coeff @angle:c3-oh-ho harmonic 47.090 108.160   # SOURCE3 42 1.3034
    angle_coeff @angle:ca-oh-ho harmonic 48.850 109.470   # SOURCE3 7 1.0405
    angle_coeff @angle:cc-oh-ho harmonic 50.060 106.970   # SOURCE4 63 1.4230
    angle_coeff @angle:cd-oh-ho harmonic 49.840 107.160   # SOURCE4 54 1.4035
    angle_coeff @angle:ce-oh-ho harmonic 49.700 106.840   # SOURCE4 23 1.5653
    angle_coeff @angle:cf-oh-ho harmonic 50.070 107.190   # SOURCE4 11 0.9954
    angle_coeff @angle:c-oh-ho harmonic 51.190 107.370   # SOURCE3 34 1.6830
    angle_coeff @angle:cl-oh-ho harmonic 43.560 102.400   # SOURCE2 1 0.0000
    angle_coeff @angle:cx-oh-ho harmonic 49.640 106.170   # SOURCE3 3 0.0644
    angle_coeff @angle:cy-oh-ho harmonic 47.620 107.320   # SOURCE4 5 0.4955
    angle_coeff @angle:f-oh-ho harmonic 48.470 96.800   # SOURCE2 1 0.0000
    angle_coeff @angle:ho-oh-ho harmonic 41.930 104.800   # SOURCE2 1 0.0000
    angle_coeff @angle:ho-oh-i harmonic 35.670 107.980   # SOURCE3 2 0.0000
    angle_coeff @angle:ho-oh-n1 harmonic 52.550 107.810   # HF/6-31G* 1
    angle_coeff @angle:ho-oh-n2 harmonic 50.570 102.740   # SOURCE3 9 2.1286
    angle_coeff @angle:ho-oh-n3 harmonic 50.610 102.330   # SOURCE3 5 1.2591
    angle_coeff @angle:ho-oh-n4 harmonic 49.440 106.630   # SOURCE3 3 0.2770
    angle_coeff @angle:ho-oh-n harmonic 50.460 101.030   # SOURCE3 6 1.4086
    angle_coeff @angle:ho-oh-na harmonic 50.240 103.710   # SOURCE3 9 1.2590
    angle_coeff @angle:ho-oh-nh harmonic 49.970 102.420   # SOURCE4 15 0.6819
    angle_coeff @angle:ho-oh-no harmonic 50.310 102.170   # SOURCE3 1 0.0000
    angle_coeff @angle:ho-oh-o harmonic 47.260 100.870   # SOURCE3 1
    angle_coeff @angle:ho-oh-oh harmonic 49.340 98.720   # SOURCE3 2 0.0000
    angle_coeff @angle:ho-oh-os harmonic 49.580 99.690   # SOURCE4 18 0.3384
    angle_coeff @angle:ho-oh-p2 harmonic 44.140 109.450   # SOURCE3 8 3.3491
    angle_coeff @angle:ho-oh-p3 harmonic 42.540 110.640   # SOURCE3 3 0.5191
    angle_coeff @angle:ho-oh-p4 harmonic 43.670 110.190   # SOURCE3 4 0.2372
    angle_coeff @angle:ho-oh-p5 harmonic 44.150 110.140   # SOURCE3 92 3.8033
    angle_coeff @angle:ho-oh-py harmonic 44.390 110.730   # SOURCE3 79 1.7835
    angle_coeff @angle:ho-oh-s4 harmonic 54.130 106.760   # SOURCE4 9 0.4035
    angle_coeff @angle:ho-oh-s harmonic 51.720 100.150   # SOURCE3 2 0.0000
    angle_coeff @angle:ho-oh-s6 harmonic 57.540 109.200   # SOURCE3 13 0.1856
    angle_coeff @angle:ho-oh-sh harmonic 54.390 106.240   # SOURCE3 2 0.0661
    angle_coeff @angle:ho-oh-ss harmonic 54.540 107.060   # SOURCE3 4 0.9967
    angle_coeff @angle:ho-oh-sy harmonic 55.940 106.410   # SOURCE4 33 0.3729
    angle_coeff @angle:br-os-br harmonic 65.080 110.630   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-os-c1 harmonic 66.990 115.020   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-os-c3 harmonic 64.470 113.390   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-os-c2 harmonic 65.950 113.140   # SOURCE3 6 2.1932
    angle_coeff @angle:c2-os-c3 harmonic 64.210 112.090   # SOURCE3 7 4.1809
    angle_coeff @angle:c2-os-ca harmonic 65.430 113.590   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-os-n2 harmonic 64.910 118.130   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-os-na harmonic 68.210 103.850   # SOURCE3 4 0.6297
    angle_coeff @angle:c2-os-os harmonic 68.350 102.770   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-os-p5 harmonic 61.090 126.370   # SOURCE4 7 1.7939
    angle_coeff @angle:c2-os-ss harmonic 79.830 108.130   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-os-c3 harmonic 62.390 112.450   # SOURCE4 1293 1.6468
    angle_coeff @angle:c3-os-ca harmonic 62.270 117.970   # SOURCE4 2495 1.4576
    angle_coeff @angle:c3-os-cc harmonic 62.430 117.580   # SOURCE4 118 1.0660
    angle_coeff @angle:c3-os-cd harmonic 62.560 117.110   # SOURCE4 130 1.0230
    angle_coeff @angle:c3-os-ce harmonic 62.850 115.700   # SOURCE4 31 2.2296
    angle_coeff @angle:c3-os-cf harmonic 62.540 117.850   # SOURCE4 6 1.2514
    angle_coeff @angle:c3-os-cl harmonic 60.430 110.500   # SOURCE2 1 0.0000
    angle_coeff @angle:c3-os-cy harmonic 61.670 115.650   # SOURCE4 5 0.2390
    angle_coeff @angle:c3-os-i harmonic 54.880 113.700   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-os-n1 harmonic 66.310 113.500   # HF/6-31G* 1
    angle_coeff @angle:c3-os-n2 harmonic 65.920 108.120   # SOURCE3 7 0.3048
    angle_coeff @angle:c3-os-n3 harmonic 64.520 110.280   # SOURCE4 14 1.9026
    angle_coeff @angle:c3-os-n4 harmonic 64.880 110.500   # SOURCE3 3 0.5426
    angle_coeff @angle:c3-os-n harmonic 65.400 109.520   # SOURCE4 14 0.6827
    angle_coeff @angle:c3-os-na harmonic 64.540 109.910   # SOURCE3 9 1.8268
    angle_coeff @angle:c3-os-nc harmonic 64.800 112.730   # SOURCE3 2 1.0358
    angle_coeff @angle:c3-os-nd harmonic 64.800 112.730   # SOURCE3 2 same_as_c3-os-nc
    angle_coeff @angle:c3-os-nh harmonic 65.220 109.690   # SOURCE4 8 0.1662
    angle_coeff @angle:c3-os-no harmonic 63.890 113.800   # SOURCE4 42 0.2726
    angle_coeff @angle:c3-os-o harmonic 65.620 103.000   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-os-oh harmonic 65.240 107.970   # SOURCE4 11 0.4333
    angle_coeff @angle:c3-os-os harmonic 65.890 105.010   # SOURCE3 7 0.6328
    angle_coeff @angle:c3-os-p2 harmonic 63.400 115.470   # SOURCE3 8 2.6374
    angle_coeff @angle:c3-os-p3 harmonic 60.450 115.970   # SOURCE3 3 0.3597
    angle_coeff @angle:c3-os-p4 harmonic 61.300 117.480   # SOURCE3 4 0.3850
    angle_coeff @angle:c3-os-p5 harmonic 62.000 118.000   # SOURCE3 31 1.2882
    angle_coeff @angle:c3-os-py harmonic 61.690 117.800   # SOURCE3 16 0.9654
    angle_coeff @angle:c3-os-s4 harmonic 77.610 111.500   # SOURCE3 6 1.4240
    angle_coeff @angle:c3-os-s6 harmonic 80.000 115.790   # SOURCE4 60 1.2588
    angle_coeff @angle:c3-os-s harmonic 75.020 109.550   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-os-sh harmonic 78.050 112.820   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-os-ss harmonic 76.870 113.190   # SOURCE3 3 0.2455
    angle_coeff @angle:ca-os-ca harmonic 63.310 119.950   # SOURCE4 107 1.6535
    angle_coeff @angle:ca-os-cc harmonic 67.320 106.320   # SOURCE4 56 2.1614
    angle_coeff @angle:ca-os-cd harmonic 66.250 109.770   # SOURCE3 6 5.0326
    angle_coeff @angle:ca-os-n3 harmonic 65.390 112.190   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-os-na harmonic 66.470 108.240   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-os-nc harmonic 66.090 113.680   # SOURCE3 2
    angle_coeff @angle:ca-os-nd harmonic 66.090 113.680   # SOURCE3 2
    angle_coeff @angle:ca-os-p5 harmonic 61.600 123.420   # SOURCE4 54 1.1358
    angle_coeff @angle:ca-os-s6 harmonic 80.940 116.970   # SOURCE4 15 0.9514
    angle_coeff @angle:c-os-c2 harmonic 64.910 118.020   # SOURCE4 7 0.3666
    angle_coeff @angle:c-os-c3 harmonic 63.630 115.140   # SOURCE3 17 1.8967
    angle_coeff @angle:c-os-c harmonic 64.540 120.640   # SOURCE4 7 1.5114
    angle_coeff @angle:c-os-ca harmonic 63.750 120.870   # SOURCE4 257 1.7209
    angle_coeff @angle:c-os-cc harmonic 64.150 119.620   # SOURCE3 5 6.0675
    angle_coeff @angle:cc-os-cc harmonic 67.250 106.760   # SOURCE4 192 0.6652
    angle_coeff @angle:cc-os-cd harmonic 63.800 118.620   # SOURCE4 14 1.9764
    angle_coeff @angle:c-os-cd harmonic 64.150 119.620   # SOURCE3 5 6.0675
    angle_coeff @angle:cc-os-na harmonic 65.510 111.660   # SOURCE3 28 4.1343
    angle_coeff @angle:cc-os-nc harmonic 68.120 107.230   # SOURCE3 6 2.7507
    angle_coeff @angle:cc-os-os harmonic 66.270 108.470   # SOURCE3 2 0.0000
    angle_coeff @angle:cc-os-ss harmonic 75.750 119.590   # SOURCE3 1 0.0000
    angle_coeff @angle:c-os-cy harmonic 71.750 91.100   # SOURCE3 2 0.0155
    angle_coeff @angle:cd-os-cd harmonic 67.350 106.450   # SOURCE4 60 0.9115
    angle_coeff @angle:cd-os-na harmonic 65.510 111.660   # SOURCE3 28 4.1343
    angle_coeff @angle:cd-os-nd harmonic 68.120 107.230   # SOURCE3 6 2.7507
    angle_coeff @angle:cd-os-os harmonic 66.270 108.470   # SOURCE3 2 same_as_cc-os-os
    angle_coeff @angle:cd-os-ss harmonic 75.750 119.590   # SOURCE3 1 same_as_cc-os-ss
    angle_coeff @angle:cl-os-cl harmonic 60.450 110.760   # SOURCE3 2 0.0000
    angle_coeff @angle:c-os-n2 harmonic 66.950 112.080   # SOURCE4 6 0.1154
    angle_coeff @angle:c-os-n harmonic 66.830 112.100   # SOURCE4 6 0.6163
    angle_coeff @angle:c-os-oh harmonic 66.500 110.500   # SOURCE3 1 0.0000
    angle_coeff @angle:c-os-os harmonic 66.250 110.280   # SOURCE4 10 1.3612
    angle_coeff @angle:c-os-p5 harmonic 62.330 122.100   # SOURCE4 5 0.5870
    angle_coeff @angle:c-os-sy harmonic 78.280 113.490   # SOURCE3 1 0.0000
    angle_coeff @angle:cx-os-cx harmonic 85.270 61.820   # SOURCE4 107 0.1793
    angle_coeff @angle:cx-os-n harmonic 88.980 59.990   # SOURCE3 1 0.0000
    angle_coeff @angle:cx-os-os harmonic 90.380 56.520   # SOURCE3 2 0.0000
    angle_coeff @angle:cy-os-cy harmonic 68.810 93.400   # SOURCE2 2 1.4000
    angle_coeff @angle:f-os-f harmonic 63.940 103.300   # SOURCE2 1 0.0000
    angle_coeff @angle:f-os-os harmonic 63.940 109.500   # SOURCE2 1 0.0000
    angle_coeff @angle:i-os-i harmonic 58.060 115.670   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-os-n1 harmonic 70.280 117.790   # HF/6-31G* 1
    angle_coeff @angle:n2-os-n2 harmonic 68.760 106.830   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-os-s6 harmonic 84.320 111.300   # SOURCE4 7 0.5651
    angle_coeff @angle:n3-os-n3 harmonic 67.760 104.880   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-os-n4 harmonic 65.660 114.680   # SOURCE3 1 0.0000
    angle_coeff @angle:na-os-na harmonic 66.100 109.590   # SOURCE3 1 0.0000
    angle_coeff @angle:na-os-ss harmonic 81.940 104.340   # SOURCE3 1 0.0000
    angle_coeff @angle:nc-os-nc harmonic 68.170 110.400   # SOURCE2 1 0.0000
    angle_coeff @angle:nc-os-ss harmonic 80.210 110.970   # SOURCE3 1 0.0000
    angle_coeff @angle:nd-os-nd harmonic 68.170 110.400   # SOURCE2 1 same_as_nc-os-nc
    angle_coeff @angle:nd-os-ss harmonic 80.210 110.970   # SOURCE3 1 same_as_nc-os-ss
    angle_coeff @angle:nh-os-nh harmonic 67.810 108.290   # SOURCE3 1 0.0000
    angle_coeff @angle:n-os-n harmonic 68.080 108.310   # SOURCE3 1 0.0000
    angle_coeff @angle:no-os-no harmonic 66.400 111.860   # SOURCE3 1 0.0000
    angle_coeff @angle:n-os-s6 harmonic 83.370 113.620   # SOURCE4 5 0.0928
    angle_coeff @angle:o-os-o harmonic 62.760 114.680   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-os-p2 harmonic 64.670 120.020   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-os-p5 harmonic 67.590 107.860   # SOURCE3 1 0.0000
    angle_coeff @angle:p3-os-p3 harmonic 60.040 121.220   # SOURCE3 1 0.0000
    angle_coeff @angle:p3-os-py harmonic 65.620 105.580   # SOURCE3 1 0.0000
    angle_coeff @angle:p5-os-p5 harmonic 61.920 126.250   # SOURCE3 1 0.0000
    angle_coeff @angle:s4-os-s4 harmonic 99.450 111.630   # SOURCE3 1 0.0000
    angle_coeff @angle:s6-os-s6 harmonic 103.740 119.070   # SOURCE3 2 0.4318
    angle_coeff @angle:sh-os-sh harmonic 97.950 118.950   # SOURCE3 1 0.0000
    angle_coeff @angle:s-os-s harmonic 91.270 118.080   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-os-ss harmonic 97.420 115.640   # SOURCE3 1 0.0000
    angle_coeff @angle:br-p2-br harmonic 65.020 108.600   # SOURCE3 1
    angle_coeff @angle:br-p2-c2 harmonic 63.020 102.320   # SOURCE3 2 0.0146
    angle_coeff @angle:br-p2-n2 harmonic 64.590 103.330   # SOURCE3 1 0.0000
    angle_coeff @angle:br-p2-o harmonic 63.020 110.870   # SOURCE3 1 0.0000
    angle_coeff @angle:br-p2-p2 harmonic 63.350 115.460   # SOURCE3 4 7.8622
    angle_coeff @angle:br-p2-s harmonic 82.100 110.520   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-p2-c1 harmonic 62.650 99.040   # SOURCE3 1
    angle_coeff @angle:c1-p2-c2 harmonic 63.650 101.290   # SOURCE3 1
    angle_coeff @angle:c1-p2-n2 harmonic 66.100 101.790   # SOURCE3 1
    angle_coeff @angle:c1-p2-o harmonic 66.040 107.620   # SOURCE3 1
    angle_coeff @angle:c1-p2-p2 harmonic 67.310 99.540   # SOURCE3 1
    angle_coeff @angle:c1-p2-s harmonic 82.930 105.900   # SOURCE3 1
    angle_coeff @angle:c2-p2-c2 harmonic 64.650 104.500   # SOURCE3 1
    angle_coeff @angle:c2-p2-c3 harmonic 61.690 101.900   # SOURCE3 4 0.1132
    angle_coeff @angle:c2-p2-ca harmonic 61.990 101.950   # SOURCE3 1
    angle_coeff @angle:c2-p2-cl harmonic 61.200 102.720   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-p2-f harmonic 66.480 103.470   # SOURCE3 2 0.0136
    angle_coeff @angle:c2-p2-hp harmonic 48.160 97.190   # SOURCE3 3 0.0216
    angle_coeff @angle:c2-p2-i harmonic 54.100 101.940   # SOURCE3 2 0.0368
    angle_coeff @angle:c2-p2-n2 harmonic 69.040 99.880   # SOURCE3 1
    angle_coeff @angle:c2-p2-n3 harmonic 67.110 101.800   # SOURCE3 1
    angle_coeff @angle:c2-p2-n4 harmonic 62.450 98.260   # SOURCE3 6 0.1522
    angle_coeff @angle:c2-p2-n harmonic 65.340 103.280   # SOURCE3 4 3.3113
    angle_coeff @angle:c2-p2-na harmonic 64.790 103.990   # SOURCE3 8 1.6834
    angle_coeff @angle:c2-p2-nh harmonic 65.840 105.170   # SOURCE3 8 0.8263
    angle_coeff @angle:c2-p2-no harmonic 66.990 97.970   # SOURCE3 3 0.4175
    angle_coeff @angle:c2-p2-o harmonic 66.350 115.160   # SOURCE3 1
    angle_coeff @angle:c2-p2-oh harmonic 67.930 102.890   # SOURCE3 3 0.8191
    angle_coeff @angle:c2-p2-os harmonic 69.280 102.120   # SOURCE3 4 0.8783
    angle_coeff @angle:c2-p2-p2 harmonic 69.100 99.560   # SOURCE3 1
    angle_coeff @angle:c2-p2-p3 harmonic 60.750 99.270   # SOURCE3 4 1.1590
    angle_coeff @angle:c2-p2-p4 harmonic 60.850 96.940   # SOURCE3 1
    angle_coeff @angle:c2-p2-p5 harmonic 60.620 97.610   # SOURCE3 1
    angle_coeff @angle:c2-p2-s4 harmonic 77.420 95.150   # SOURCE3 1
    angle_coeff @angle:c2-p2-s6 harmonic 77.560 95.510   # SOURCE3 1
    angle_coeff @angle:c2-p2-s harmonic 85.340 105.530   # SOURCE3 1
    angle_coeff @angle:c2-p2-sh harmonic 81.290 101.490   # SOURCE3 3 0.0057
    angle_coeff @angle:c2-p2-ss harmonic 81.300 101.810   # SOURCE3 4 0.5883
    angle_coeff @angle:c3-p2-c3 harmonic 59.710 99.300   # SOURCE3 1
    angle_coeff @angle:c3-p2-n2 harmonic 64.420 100.820   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p2-o harmonic 64.090 106.720   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p2-os harmonic 65.020 101.340   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p2-p2 harmonic 65.390 100.480   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p2-s harmonic 80.980 105.680   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-p2-ca harmonic 60.070 99.700   # SOURCE3 1
    angle_coeff @angle:ca-p2-n2 harmonic 64.770 100.820   # SOURCE3 1
    angle_coeff @angle:ca-p2-n harmonic 66.610 89.970   # SOURCE3 1
    angle_coeff @angle:ca-p2-na harmonic 66.630 89.210   # SOURCE3 1
    angle_coeff @angle:ca-p2-o harmonic 64.430 106.880   # SOURCE3 1
    angle_coeff @angle:ca-p2-s harmonic 80.490 107.930   # SOURCE3 1
    angle_coeff @angle:c-p2-c2 harmonic 62.160 97.300   # SOURCE3 1
    angle_coeff @angle:c-p2-c harmonic 61.190 90.100   # SOURCE3 1
    angle_coeff @angle:ce-p2-o harmonic 64.940 107.440   # SOURCE3 1
    angle_coeff @angle:ce-p2-s harmonic 82.030 105.540   # SOURCE3 1
    angle_coeff @angle:cf-p2-o harmonic 64.940 107.440   # SOURCE3 1 same_as_ce-p2-o
    angle_coeff @angle:cf-p2-s harmonic 82.030 105.540   # SOURCE3 1 same_as_ce-p2-s
    angle_coeff @angle:cl-p2-cl harmonic 59.120 108.700   # SOURCE3 1
    angle_coeff @angle:cl-p2-n2 harmonic 63.020 103.380   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-p2-o harmonic 61.870 110.570   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-p2-p2 harmonic 64.880 103.110   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-p2-s harmonic 79.650 110.110   # SOURCE3 1 0.0000
    angle_coeff @angle:f-p2-f harmonic 67.450 107.100   # SOURCE3 1
    angle_coeff @angle:f-p2-n2 harmonic 69.660 103.570   # SOURCE3 1 0.0000
    angle_coeff @angle:f-p2-o harmonic 70.010 110.610   # SOURCE3 1 0.0000
    angle_coeff @angle:f-p2-p2 harmonic 68.870 103.480   # SOURCE3 1 0.0000
    angle_coeff @angle:f-p2-s harmonic 83.240 114.710   # SOURCE3 2 5.2794
    angle_coeff @angle:hp-p2-hp harmonic 36.510 98.760   # SOURCE3 1
    angle_coeff @angle:hp-p2-n1 harmonic 49.670 95.180   # SOURCE3 2 1.5708
    angle_coeff @angle:hp-p2-n2 harmonic 51.270 95.540   # SOURCE3 19 4.7352
    angle_coeff @angle:hp-p2-ne harmonic 51.040 100.100   # SOURCE3 14 6.1290
    angle_coeff @angle:hp-p2-nf harmonic 51.040 100.100   # SOURCE3 14 same_as_hp-p2-ne
    angle_coeff @angle:hp-p2-o harmonic 51.210 105.580   # SOURCE3 1 0.0000
    angle_coeff @angle:hp-p2-p2 harmonic 48.180 101.880   # SOURCE3 27 12.9535
    angle_coeff @angle:hp-p2-p4 harmonic 41.290 94.510   # SOURCE3 1 0.0000
    angle_coeff @angle:hp-p2-p5 harmonic 42.510 89.070   # SOURCE3 1 0.0000
    angle_coeff @angle:hp-p2-pe harmonic 47.430 97.250   # SOURCE3 16 8.8916
    angle_coeff @angle:hp-p2-pf harmonic 47.430 97.250   # SOURCE3 16 same_as_hp-p2-pe
    angle_coeff @angle:hp-p2-s4 harmonic 53.260 89.990   # SOURCE3 1 0.0000
    angle_coeff @angle:hp-p2-s harmonic 61.200 102.520   # SOURCE3 1 0.0000
    angle_coeff @angle:hp-p2-s6 harmonic 54.080 88.130   # SOURCE3 1 0.0000
    angle_coeff @angle:i-p2-i harmonic 57.140 104.160   # SOURCE3 1
    angle_coeff @angle:i-p2-n2 harmonic 55.340 101.770   # SOURCE3 1 0.0000
    angle_coeff @angle:i-p2-o harmonic 53.280 109.510   # SOURCE3 1 0.0000
    angle_coeff @angle:i-p2-p2 harmonic 58.360 102.630   # SOURCE3 1 0.0000
    angle_coeff @angle:i-p2-s harmonic 71.170 110.600   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-p2-n1 harmonic 74.350 86.220   # HF/6-31G* 1
    angle_coeff @angle:n2-p2-n2 harmonic 72.910 98.000   # SOURCE3 1
    angle_coeff @angle:n2-p2-n3 harmonic 70.540 100.420   # SOURCE3 1
    angle_coeff @angle:n2-p2-n4 harmonic 66.370 93.420   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-p2-na harmonic 68.130 102.030   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-p2-nh harmonic 69.830 101.870   # SOURCE3 2 0.8491
    angle_coeff @angle:n2-p2-no harmonic 69.740 98.120   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-p2-o harmonic 69.560 115.340   # SOURCE3 1
    angle_coeff @angle:n2-p2-oh harmonic 68.760 109.720   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-p2-os harmonic 72.480 102.290   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-p2-p3 harmonic 62.580 99.510   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-p2-p4 harmonic 61.230 101.730   # SOURCE3 1
    angle_coeff @angle:n2-p2-p5 harmonic 63.780 93.680   # SOURCE3 1
    angle_coeff @angle:n2-p2-s4 harmonic 78.670 97.830   # SOURCE3 1
    angle_coeff @angle:n2-p2-s6 harmonic 78.860 98.140   # SOURCE3 1
    angle_coeff @angle:n2-p2-s harmonic 85.870 112.940   # SOURCE3 1
    angle_coeff @angle:n2-p2-sh harmonic 84.460 100.820   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-p2-ss harmonic 84.230 101.760   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-p2-n3 harmonic 67.280 106.300   # SOURCE3 1
    angle_coeff @angle:n3-p2-o harmonic 70.570 106.830   # SOURCE3 1
    angle_coeff @angle:n3-p2-p2 harmonic 70.440 100.580   # SOURCE3 1
    angle_coeff @angle:n3-p2-s harmonic 87.340 105.750   # SOURCE3 1
    angle_coeff @angle:n4-p2-n4 harmonic 63.300 88.800   # SOURCE3 1
    angle_coeff @angle:n4-p2-o harmonic 65.000 101.360   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-p2-p2 harmonic 66.570 96.530   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-p2-s harmonic 81.040 104.980   # SOURCE3 1 0.0000
    angle_coeff @angle:na-p2-na harmonic 64.300 106.100   # SOURCE3 1
    angle_coeff @angle:na-p2-o harmonic 68.270 107.460   # SOURCE3 1 0.0000
    angle_coeff @angle:na-p2-s harmonic 84.570 108.150   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-p2-o harmonic 73.070 107.710   # SOURCE3 1
    angle_coeff @angle:ne-p2-s harmonic 89.700 105.500   # SOURCE3 1
    angle_coeff @angle:nf-p2-o harmonic 73.070 107.710   # SOURCE3 1 same_as_ne-p2-o
    angle_coeff @angle:nf-p2-s harmonic 89.700 105.500   # SOURCE3 1 same_as_ne-p2-s
    angle_coeff @angle:nh-p2-nh harmonic 67.650 104.000   # SOURCE3 1
    angle_coeff @angle:nh-p2-o harmonic 69.920 108.110   # SOURCE3 2 0.6773
    angle_coeff @angle:nh-p2-p2 harmonic 67.910 107.730   # SOURCE3 3 3.1678
    angle_coeff @angle:nh-p2-s harmonic 85.580 109.620   # SOURCE3 2 1.7725
    angle_coeff @angle:n-p2-n2 harmonic 69.610 98.850   # SOURCE3 1 0.0000
    angle_coeff @angle:n-p2-o harmonic 69.470 105.080   # SOURCE3 1 0.0000
    angle_coeff @angle:no-p2-no harmonic 67.260 98.200   # SOURCE3 1
    angle_coeff @angle:no-p2-o harmonic 69.400 104.870   # SOURCE3 1 0.0000
    angle_coeff @angle:no-p2-p2 harmonic 66.610 108.570   # SOURCE3 3 8.2121
    angle_coeff @angle:no-p2-s harmonic 84.470 109.060   # SOURCE3 2 5.4074
    angle_coeff @angle:n-p2-p2 harmonic 68.780 102.120   # SOURCE3 1 0.0000
    angle_coeff @angle:n-p2-s harmonic 83.340 112.340   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-p2-oh harmonic 71.860 100.100   # SOURCE3 1
    angle_coeff @angle:oh-p2-p2 harmonic 69.090 107.820   # SOURCE3 2 2.6708
    angle_coeff @angle:oh-p2-s harmonic 87.090 109.750   # SOURCE3 1 0.0000
    angle_coeff @angle:o-p2-o harmonic 70.950 119.960   # SOURCE3 1
    angle_coeff @angle:o-p2-oh harmonic 70.850 110.460   # SOURCE3 1 0.0000
    angle_coeff @angle:o-p2-os harmonic 72.860 108.810   # SOURCE3 1 0.0000
    angle_coeff @angle:o-p2-p2 harmonic 68.910 114.230   # SOURCE3 1
    angle_coeff @angle:o-p2-p3 harmonic 61.190 106.690   # SOURCE3 1 0.0000
    angle_coeff @angle:o-p2-p4 harmonic 61.150 104.370   # SOURCE3 1
    angle_coeff @angle:o-p2-p5 harmonic 61.090 104.490   # SOURCE3 1
    angle_coeff @angle:o-p2-pe harmonic 59.000 145.960   # SOURCE3 1
    angle_coeff @angle:o-p2-pf harmonic 59.000 145.960   # SOURCE3 1 same_as_o-p2-pe
    angle_coeff @angle:o-p2-s4 harmonic 76.220 106.590   # SOURCE3 1
    angle_coeff @angle:o-p2-s6 harmonic 77.110 105.040   # SOURCE3 1
    angle_coeff @angle:o-p2-s harmonic 86.500 117.420   # SOURCE3 1
    angle_coeff @angle:o-p2-sh harmonic 82.540 109.600   # SOURCE3 1 0.0000
    angle_coeff @angle:os-p2-os harmonic 75.140 98.300   # SOURCE3 1
    angle_coeff @angle:os-p2-p2 harmonic 72.150 101.460   # SOURCE3 1 0.0000
    angle_coeff @angle:o-p2-ss harmonic 82.710 109.600   # SOURCE3 1 0.0000
    angle_coeff @angle:os-p2-s harmonic 88.770 108.470   # SOURCE3 3 1.7065
    angle_coeff @angle:p2-p2-n2 harmonic 72.700 97.400   # SOURCE3 1
    angle_coeff @angle:p2-p2-p3 harmonic 63.950 101.730   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-p2-p4 harmonic 63.280 101.980   # SOURCE3 1
    angle_coeff @angle:p2-p2-p5 harmonic 64.100 99.330   # SOURCE3 1
    angle_coeff @angle:p2-p2-s4 harmonic 82.350 95.730   # SOURCE3 1
    angle_coeff @angle:p2-p2-s6 harmonic 82.540 95.950   # SOURCE3 1
    angle_coeff @angle:p2-p2-s harmonic 87.130 111.280   # SOURCE3 1
    angle_coeff @angle:p2-p2-sh harmonic 81.160 113.940   # SOURCE3 3 8.5009
    angle_coeff @angle:p3-p2-p3 harmonic 59.740 101.000   # SOURCE3 1
    angle_coeff @angle:p3-p2-s harmonic 76.850 113.280   # SOURCE3 2 6.7035
    angle_coeff @angle:p4-p2-s harmonic 79.510 103.890   # SOURCE3 1
    angle_coeff @angle:p5-p2-p5 harmonic 62.680 89.400   # SOURCE3 1
    angle_coeff @angle:p5-p2-s harmonic 80.520 101.210   # SOURCE3 1
    angle_coeff @angle:pe-p2-s harmonic 87.030 106.350   # SOURCE3 1
    angle_coeff @angle:pf-p2-s harmonic 87.030 106.350   # SOURCE3 1 same_as_pe-p2-s
    angle_coeff @angle:s4-p2-s4 harmonic 102.320 85.300   # SOURCE3 1
    angle_coeff @angle:s6-p2-s6 harmonic 95.800 98.200   # SOURCE3 1
    angle_coeff @angle:sh-p2-sh harmonic 105.800 98.500   # SOURCE3 1
    angle_coeff @angle:s-p2-s harmonic 113.120 106.600   # SOURCE3 1
    angle_coeff @angle:s-p2-s4 harmonic 99.570 105.290   # SOURCE3 1
    angle_coeff @angle:s-p2-s6 harmonic 99.150 106.930   # SOURCE3 1
    angle_coeff @angle:s-p2-sh harmonic 104.500 110.730   # SOURCE3 2 0.0232
    angle_coeff @angle:s-p2-ss harmonic 103.090 114.140   # SOURCE3 4 5.9223
    angle_coeff @angle:ss-p2-ss harmonic 106.390 97.900   # SOURCE3 1
    angle_coeff @angle:br-p3-br harmonic 65.960 103.540   # SOURCE3 1 0.0000
    angle_coeff @angle:br-p3-hp harmonic 43.060 96.360   # SOURCE3 4 0.6701
    angle_coeff @angle:c1-p3-c1 harmonic 61.500 100.500   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-p3-f harmonic 65.100 96.900   # SOURCE2 1 0.0000
    angle_coeff @angle:c1-p3-hp harmonic 44.980 97.670   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-p3-c2 harmonic 59.650 101.770   # SOURCE3 3 0.0000
    angle_coeff @angle:c2-p3-hp harmonic 44.060 97.850   # SOURCE3 4 0.0000
    angle_coeff @angle:c3-p3-c3 harmonic 59.950 99.660   # SOURCE3 40 0.9854
    angle_coeff @angle:c3-p3-ca harmonic 59.600 101.940   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-p3-cl harmonic 61.420 99.890   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p3-f harmonic 63.510 97.800   # SOURCE2 1 0.0000
    angle_coeff @angle:c3-p3-hp harmonic 43.910 97.660   # SOURCE3 9 0.4096
    angle_coeff @angle:c3-p3-n2 harmonic 63.720 96.550   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-p3-n3 harmonic 62.780 101.180   # SOURCE3 10 2.2338
    angle_coeff @angle:c3-p3-n4 harmonic 61.660 96.940   # SOURCE3 6 0.4815
    angle_coeff @angle:c3-p3-n harmonic 61.970 101.770   # SOURCE3 12 2.4449
    angle_coeff @angle:c3-p3-na harmonic 62.590 100.170   # SOURCE3 4 0.0554
    angle_coeff @angle:c3-p3-nh harmonic 61.770 104.500   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-p3-no harmonic 62.270 96.980   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-p3-o harmonic 62.860 111.670   # SOURCE3 28 5.3387
    angle_coeff @angle:c3-p3-oh harmonic 64.890 98.210   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-p3-os harmonic 64.330 99.530   # SOURCE3 3 1.7678
    angle_coeff @angle:c3-p3-p3 harmonic 57.790 100.310   # SOURCE3 18 2.1836
    angle_coeff @angle:c3-p3-p5 harmonic 57.640 100.900   # SOURCE3 10 2.7070
    angle_coeff @angle:c3-p3-s4 harmonic 76.740 98.880   # SOURCE3 8 6.2235
    angle_coeff @angle:c3-p3-s6 harmonic 76.100 101.180   # SOURCE3 12 6.4536
    angle_coeff @angle:c3-p3-sh harmonic 75.720 98.710   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-p3-ss harmonic 75.730 99.370   # SOURCE3 2 0.0000
    angle_coeff @angle:ca-p3-ca harmonic 60.550 99.860   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-p3-hp harmonic 44.340 97.500   # SOURCE3 2 0.0000
    angle_coeff @angle:c-p3-c3 harmonic 60.100 97.060   # SOURCE3 3 1.1490
    angle_coeff @angle:c-p3-c harmonic 58.350 100.900   # SOURCE3 1 0.0000
    angle_coeff @angle:c-p3-hp harmonic 43.390 96.550   # SOURCE3 6 0.5223
    angle_coeff @angle:cl-p3-cl harmonic 62.670 102.820   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-p3-f harmonic 63.640 99.200   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-p3-hp harmonic 44.110 96.300   # SOURCE3 3 0.6203
    angle_coeff @angle:c-p3-os harmonic 70.240 81.320   # SOURCE3 1 0.0000
    angle_coeff @angle:cx-p3-hp harmonic 44.010 95.200   # SOURCE2 1 0.0000
    angle_coeff @angle:f-p3-f harmonic 68.840 97.400   # SOURCE2 8 1.6636
    angle_coeff @angle:f-p3-hp harmonic 48.850 96.410   # SOURCE3 2 0.0000
    angle_coeff @angle:f-p3-n3 harmonic 66.890 100.600   # SOURCE2 1 0.0000
    angle_coeff @angle:f-p3-os harmonic 67.790 102.200   # SOURCE2 1 0.0000
    angle_coeff @angle:f-p3-p3 harmonic 59.520 97.200   # SOURCE2 1 0.0000
    angle_coeff @angle:hp-p3-hp harmonic 35.200 95.520   # SOURCE3 44 2.4200
    angle_coeff @angle:hp-p3-i harmonic 37.430 96.190   # SOURCE3 4 0.6454
    angle_coeff @angle:hp-p3-n1 harmonic 49.970 92.980   # HF/6-31G* 1
    angle_coeff @angle:hp-p3-n2 harmonic 46.470 98.280   # SOURCE3 10 1.8860
    angle_coeff @angle:hp-p3-n3 harmonic 48.110 94.460   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-n4 harmonic 45.300 93.210   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-n harmonic 47.100 95.150   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-na harmonic 46.750 97.270   # SOURCE3 12 0.9318
    angle_coeff @angle:hp-p3-nh harmonic 48.200 94.100   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-no harmonic 46.080 93.060   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-o harmonic 51.150 101.020   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-oh harmonic 49.120 95.950   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-os harmonic 48.580 97.350   # SOURCE3 6 2.8326
    angle_coeff @angle:hp-p3-p2 harmonic 40.920 99.110   # SOURCE3 16 4.3022
    angle_coeff @angle:hp-p3-p3 harmonic 40.500 95.520   # SOURCE3 4 0.0844
    angle_coeff @angle:hp-p3-p4 harmonic 40.370 95.950   # SOURCE3 6 0.0489
    angle_coeff @angle:hp-p3-p5 harmonic 40.510 95.540   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-s4 harmonic 54.390 95.490   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-s6 harmonic 55.380 92.950   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-sh harmonic 53.620 94.210   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p3-ss harmonic 53.780 94.610   # SOURCE3 2 0.0000
    angle_coeff @angle:i-p3-i harmonic 58.550 105.250   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-p3-n1 harmonic 73.380 90.440   # HF/6-31G* 1
    angle_coeff @angle:n2-p3-n2 harmonic 64.560 103.460   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-p3-n3 harmonic 62.770 113.800   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-p3-o harmonic 68.780 107.100   # SOURCE3 4 0.0000
    angle_coeff @angle:n3-p3-oh harmonic 68.930 98.360   # SOURCE3 1
    angle_coeff @angle:n4-p3-n4 harmonic 61.460 100.530   # SOURCE3 1 0.0000
    angle_coeff @angle:na-p3-na harmonic 63.790 106.220   # SOURCE3 1
    angle_coeff @angle:nh-p3-nh harmonic 64.100 109.110   # SOURCE3 1 0.0000
    angle_coeff @angle:n-p3-n harmonic 64.000 104.580   # SOURCE3 1
    angle_coeff @angle:n-p3-o harmonic 68.400 104.990   # SOURCE3 4 0.0000
    angle_coeff @angle:no-p3-no harmonic 63.350 98.330   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-p3-oh harmonic 68.360 104.480   # SOURCE3 1 0.0000
    angle_coeff @angle:o-p3-o harmonic 69.980 122.180   # SOURCE3 2 7.8556
    angle_coeff @angle:o-p3-p3 harmonic 56.940 116.740   # SOURCE3 14 0.7525
    angle_coeff @angle:o-p3-p5 harmonic 59.320 107.620   # SOURCE3 4 0.0000
    angle_coeff @angle:o-p3-s4 harmonic 78.140 110.700   # SOURCE3 4 0.7259
    angle_coeff @angle:o-p3-s6 harmonic 79.950 106.660   # SOURCE3 6 3.4017
    angle_coeff @angle:os-p3-os harmonic 67.300 106.650   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-p3-p2 harmonic 58.990 103.580   # SOURCE3 1 0.0000
    angle_coeff @angle:p3-p3-p3 harmonic 56.870 105.310   # SOURCE3 4 3.5864
    angle_coeff @angle:p4-p3-p4 harmonic 58.570 99.090   # SOURCE3 1
    angle_coeff @angle:p5-p3-p5 harmonic 58.650 99.100   # SOURCE3 1 0.0000
    angle_coeff @angle:s4-p3-s4 harmonic 100.040 98.260   # SOURCE3 1 0.0000
    angle_coeff @angle:s6-p3-s6 harmonic 100.770 97.780   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-p3-sh harmonic 93.590 107.580   # SOURCE3 1 0.0000
    angle_coeff @angle:s-p3-s harmonic 87.250 131.320   # SOURCE3 1
    angle_coeff @angle:ss-p3-ss harmonic 93.360 109.240   # SOURCE3 1 0.0000
    angle_coeff @angle:br-p4-br harmonic 65.640 110.410   # SOURCE3 1
    angle_coeff @angle:br-p4-o harmonic 60.420 124.800   # SOURCE3 1
    angle_coeff @angle:c2-p4-c2 harmonic 59.340 104.210   # SOURCE3 1
    angle_coeff @angle:c2-p4-hp harmonic 44.230 99.500   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-p4-o harmonic 63.010 113.590   # SOURCE3 1
    angle_coeff @angle:c3-p4-c3 harmonic 59.460 102.550   # SOURCE3 4 0.0192
    angle_coeff @angle:c3-p4-n2 harmonic 62.470 103.170   # SOURCE3 1
    angle_coeff @angle:c3-p4-n3 harmonic 63.130 102.370   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p4-n4 harmonic 60.000 99.570   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p4-n harmonic 62.290 103.260   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p4-na harmonic 60.600 117.670   # SOURCE3 5 19.0404
    angle_coeff @angle:c3-p4-nh harmonic 62.860 102.790   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p4-no harmonic 61.120 99.800   # SOURCE3 3 0.2151
    angle_coeff @angle:c3-p4-o harmonic 61.960 116.440   # SOURCE3 25 2.6494
    angle_coeff @angle:c3-p4-oh harmonic 65.550 98.560   # SOURCE3 2 0.4558
    angle_coeff @angle:c3-p4-os harmonic 65.800 98.010   # SOURCE3 2 0.0931
    angle_coeff @angle:c3-p4-p2 harmonic 56.110 109.270   # SOURCE3 1
    angle_coeff @angle:c3-p4-p3 harmonic 56.940 103.530   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p4-p4 harmonic 60.790 102.120   # SOURCE3 1
    angle_coeff @angle:c3-p4-p5 harmonic 56.380 104.150   # SOURCE3 1
    angle_coeff @angle:c3-p4-sh harmonic 75.720 100.170   # SOURCE3 2 0.0815
    angle_coeff @angle:c3-p4-ss harmonic 75.600 101.190   # SOURCE3 1
    angle_coeff @angle:ca-p4-ca harmonic 58.870 107.770   # SOURCE3 1
    angle_coeff @angle:ca-p4-o harmonic 63.970 111.640   # SOURCE3 1
    angle_coeff @angle:cl-p4-cl harmonic 62.460 103.510   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-p4-o harmonic 61.910 116.530   # SOURCE3 2 0.0000
    angle_coeff @angle:hp-p4-hp harmonic 36.070 99.210   # SOURCE3 4 6.4572
    angle_coeff @angle:hp-p4-n1 harmonic 48.330 99.910   # HF/6-31G* 1
    angle_coeff @angle:hp-p4-o harmonic 50.250 109.350   # SOURCE3 6 10.8284
    angle_coeff @angle:hp-p4-p3 harmonic 39.650 98.960   # SOURCE3 4 0.0000
    angle_coeff @angle:hp-p4-s harmonic 49.200 110.240   # SOURCE3 4 4.1081
    angle_coeff @angle:i-p4-i harmonic 61.590 113.220   # SOURCE3 2 6.7916
    angle_coeff @angle:i-p4-o harmonic 60.270 110.220   # SOURCE3 4 9.7726
    angle_coeff @angle:n1-p4-n1 harmonic 68.740 100.610   # HF/6-31G* 1
    angle_coeff @angle:n1-p4-o harmonic 67.970 114.590   # HF/6-31G* 1
    angle_coeff @angle:n2-p4-n2 harmonic 66.360 102.540   # SOURCE3 1
    angle_coeff @angle:n2-p4-o harmonic 65.230 120.280   # SOURCE3 1
    angle_coeff @angle:n3-p4-o harmonic 67.920 113.270   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-p4-o harmonic 63.230 107.610   # SOURCE3 1 0.0000
    angle_coeff @angle:na-p4-o harmonic 72.190 110.600   # SOURCE3 5 1.3133
    angle_coeff @angle:nh-p4-nh harmonic 69.560 95.300   # SOURCE3 1 0.0000
    angle_coeff @angle:nh-p4-o harmonic 66.920 115.860   # SOURCE3 3 3.2712
    angle_coeff @angle:n-p4-o harmonic 65.600 117.990   # SOURCE3 1 0.0000
    angle_coeff @angle:no-p4-o harmonic 63.000 114.690   # SOURCE3 3 0.1070
    angle_coeff @angle:oh-p4-oh harmonic 72.990 95.710   # SOURCE3 1 0.0000
    angle_coeff @angle:o-p4-o harmonic 72.010 117.220   # SOURCE3 6 2.7792
    angle_coeff @angle:o-p4-oh harmonic 68.540 117.390   # SOURCE3 4 1.0083
    angle_coeff @angle:o-p4-os harmonic 68.880 116.670   # SOURCE3 4 0.6923
    angle_coeff @angle:o-p4-p2 harmonic 56.720 121.350   # SOURCE3 1
    angle_coeff @angle:o-p4-p3 harmonic 57.580 114.000   # SOURCE3 3 0.6663
    angle_coeff @angle:o-p4-p4 harmonic 61.640 116.430   # SOURCE3 1
    angle_coeff @angle:o-p4-p5 harmonic 58.150 109.760   # SOURCE3 1
    angle_coeff @angle:o-p4-s4 harmonic 72.350 112.190   # SOURCE3 1
    angle_coeff @angle:o-p4-s6 harmonic 71.250 113.890   # SOURCE3 1
    angle_coeff @angle:o-p4-s harmonic 75.540 112.780   # SOURCE3 2 0.0000
    angle_coeff @angle:o-p4-sh harmonic 74.810 118.090   # SOURCE3 1
    angle_coeff @angle:os-p4-os harmonic 71.510 100.340   # SOURCE3 1 0.0000
    angle_coeff @angle:o-p4-ss harmonic 75.800 116.140   # SOURCE3 4 1.0636
    angle_coeff @angle:p2-p4-p2 harmonic 56.350 110.710   # SOURCE3 1
    angle_coeff @angle:p3-p4-p3 harmonic 54.380 114.980   # SOURCE3 1 0.0000
    angle_coeff @angle:p4-p4-p4 harmonic 61.300 107.380   # SOURCE3 1
    angle_coeff @angle:p5-p4-p5 harmonic 55.630 107.780   # SOURCE3 1
    angle_coeff @angle:s4-p4-s4 harmonic 93.720 96.240   # SOURCE3 1
    angle_coeff @angle:s6-p4-s6 harmonic 90.160 102.360   # SOURCE3 1
    angle_coeff @angle:sh-p4-sh harmonic 98.440 98.810   # SOURCE3 1 0.0000
    angle_coeff @angle:s-p4-s harmonic 93.540 106.300   # SOURCE3 2 25.0119
    angle_coeff @angle:ss-p4-ss harmonic 96.270 104.410   # SOURCE3 1 0.0000
    angle_coeff @angle:br-p5-br harmonic 67.070 103.380   # SOURCE3 1 0.0000
    angle_coeff @angle:br-p5-o harmonic 62.390 114.650   # SOURCE3 3 1.0910
    angle_coeff @angle:br-p5-oh harmonic 65.360 102.920   # SOURCE3 4 0.5468
    angle_coeff @angle:c1-p5-c1 harmonic 62.070 102.890   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-p5-o harmonic 64.450 115.770   # SOURCE3 2 0.0000
    angle_coeff @angle:c1-p5-oh harmonic 66.220 102.790   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-p5-c2 harmonic 57.300 106.560   # SOURCE3 1
    angle_coeff @angle:c2-p5-o harmonic 63.330 109.240   # SOURCE4 7 2.2628
    angle_coeff @angle:c2-p5-oh harmonic 64.000 101.690   # SOURCE3 1
    angle_coeff @angle:c2-p5-os harmonic 63.780 103.340   # SOURCE3 1
    angle_coeff @angle:c3-p5-c3 harmonic 59.060 106.230   # SOURCE3 14 2.6389
    angle_coeff @angle:c3-p5-hp harmonic 43.230 103.620   # SOURCE4 7 1.1616
    angle_coeff @angle:c3-p5-n3 harmonic 63.940 102.760   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-p5-o harmonic 63.790 112.500   # SOURCE3 23 4.4203
    angle_coeff @angle:c3-p5-oh harmonic 65.260 101.560   # SOURCE3 17 2.1803
    angle_coeff @angle:c3-p5-os harmonic 65.840 100.770   # SOURCE4 51 2.0928
    angle_coeff @angle:c3-p5-p4 harmonic 55.960 106.270   # SOURCE3 1
    angle_coeff @angle:c3-p5-s harmonic 75.870 113.400   # SOURCE3 4 2.0067
    angle_coeff @angle:c3-p5-ss harmonic 74.660 103.760   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-p5-ca harmonic 59.290 107.530   # SOURCE3 1
    angle_coeff @angle:ca-p5-o harmonic 63.850 113.980   # SOURCE3 1
    angle_coeff @angle:ca-p5-oh harmonic 65.600 101.770   # SOURCE3 1
    angle_coeff @angle:ca-p5-os harmonic 65.310 103.750   # SOURCE3 1
    angle_coeff @angle:c-p5-c harmonic 57.470 104.160   # SOURCE3 1
    angle_coeff @angle:cl-p5-cl harmonic 62.400 103.700   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-p5-o harmonic 62.360 115.320   # SOURCE3 2 0.0000
    angle_coeff @angle:cl-p5-oh harmonic 65.050 102.440   # SOURCE3 2 0.0000
    angle_coeff @angle:c-p5-o harmonic 63.510 107.190   # SOURCE4 16 0.5711
    angle_coeff @angle:c-p5-oh harmonic 63.500 102.120   # SOURCE3 1
    angle_coeff @angle:f-p5-f harmonic 67.910 99.960   # SOURCE2 4 0.9197
    angle_coeff @angle:f-p5-o harmonic 69.070 112.030   # SOURCE4 7 0.5178
    angle_coeff @angle:f-p5-oh harmonic 69.260 101.980   # SOURCE3 2 0.0000
    angle_coeff @angle:f-p5-os harmonic 69.530 102.700   # SOURCE4 5 0.1524
    angle_coeff @angle:f-p5-s harmonic 77.040 117.400   # SOURCE2 1 0.0000
    angle_coeff @angle:hp-p5-hp harmonic 34.260 101.090   # SOURCE3 4 1.3036
    angle_coeff @angle:hp-p5-n1 harmonic 49.690 101.320   # HF/6-31G* 1
    angle_coeff @angle:hp-p5-o harmonic 48.280 116.580   # SOURCE3 7 1.3282
    angle_coeff @angle:hp-p5-oh harmonic 48.850 101.450   # SOURCE3 5 0.9084
    angle_coeff @angle:hp-p5-s harmonic 52.540 119.200   # SOURCE2 1 0.0000
    angle_coeff @angle:i-p5-i harmonic 57.350 107.170   # SOURCE3 1 0.0000
    angle_coeff @angle:i-p5-o harmonic 52.720 115.930   # SOURCE3 3 0.0415
    angle_coeff @angle:i-p5-oh harmonic 56.650 102.260   # SOURCE3 4 1.9577
    angle_coeff @angle:n1-p5-n1 harmonic 73.170 101.550   # HF/6-31G* 1
    angle_coeff @angle:n1-p5-o harmonic 71.450 113.780   # HF/6-31G* 1
    angle_coeff @angle:n2-p5-n2 harmonic 70.250 106.340   # SOURCE3 1
    angle_coeff @angle:n2-p5-o harmonic 70.800 113.530   # SOURCE3 1
    angle_coeff @angle:n2-p5-oh harmonic 71.420 102.400   # SOURCE3 1
    angle_coeff @angle:n3-p5-n3 harmonic 68.510 103.370   # SOURCE4 47 2.1009
    angle_coeff @angle:n3-p5-nh harmonic 68.130 104.020   # SOURCE4 5 1.8740
    angle_coeff @angle:n3-p5-o harmonic 68.760 114.640   # SOURCE4 76 2.2728
    angle_coeff @angle:n3-p5-oh harmonic 69.420 104.180   # SOURCE3 6 0.4373
    angle_coeff @angle:n3-p5-os harmonic 70.640 101.940   # SOURCE4 34 2.3553
    angle_coeff @angle:n3-p5-s harmonic 78.990 117.120   # SOURCE4 7 0.7109
    angle_coeff @angle:n4-p5-n4 harmonic 62.620 102.200   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-p5-o harmonic 65.690 109.780   # SOURCE3 5 2.7519
    angle_coeff @angle:n4-p5-oh harmonic 67.490 98.480   # SOURCE3 6 0.4104
    angle_coeff @angle:n4-p5-os harmonic 69.210 94.550   # SOURCE3 2 0.0000
    angle_coeff @angle:na-p5-na harmonic 64.830 108.570   # SOURCE3 1 0.0000
    angle_coeff @angle:na-p5-o harmonic 67.730 113.430   # SOURCE3 11 0.8968
    angle_coeff @angle:na-p5-oh harmonic 68.960 102.070   # SOURCE3 16 1.4144
    angle_coeff @angle:na-p5-os harmonic 69.040 103.060   # SOURCE3 4 0.7463
    angle_coeff @angle:nh-p5-nh harmonic 69.500 99.510   # SOURCE3 1 0.0000
    angle_coeff @angle:nh-p5-o harmonic 67.300 118.910   # SOURCE3 3 1.3237
    angle_coeff @angle:nh-p5-oh harmonic 69.360 103.810   # SOURCE3 2 0.0000
    angle_coeff @angle:nh-p5-os harmonic 70.950 100.510   # SOURCE3 2 0.0000
    angle_coeff @angle:n-p5-n3 harmonic 67.330 104.110   # SOURCE4 11 1.4088
    angle_coeff @angle:n-p5-n harmonic 66.800 103.090   # SOURCE3 1 0.0000
    angle_coeff @angle:n-p5-o harmonic 69.370 108.730   # SOURCE4 5 0.2571
    angle_coeff @angle:n-p5-oh harmonic 68.990 102.440   # SOURCE3 4 0.0999
    angle_coeff @angle:no-p5-no harmonic 64.570 95.680   # SOURCE3 1 0.0000
    angle_coeff @angle:no-p5-o harmonic 64.720 112.750   # SOURCE3 4 3.3684
    angle_coeff @angle:no-p5-oh harmonic 66.430 101.350   # SOURCE3 2 0.0000
    angle_coeff @angle:no-p5-os harmonic 66.640 101.700   # SOURCE3 4 0.0565
    angle_coeff @angle:n-p5-os harmonic 70.090 100.480   # SOURCE3 2 0.0000
    angle_coeff @angle:oh-p5-oh harmonic 71.250 102.450   # SOURCE3 39 2.4223
    angle_coeff @angle:oh-p5-os harmonic 71.770 102.370   # SOURCE3 8 1.5063
    angle_coeff @angle:oh-p5-p2 harmonic 60.920 103.530   # SOURCE3 1
    angle_coeff @angle:oh-p5-p3 harmonic 60.040 103.830   # SOURCE3 13 0.4303
    angle_coeff @angle:oh-p5-p4 harmonic 60.070 101.790   # SOURCE3 1
    angle_coeff @angle:oh-p5-p5 harmonic 64.950 100.450   # SOURCE3 1
    angle_coeff @angle:oh-p5-s4 harmonic 81.520 103.240   # SOURCE3 1
    angle_coeff @angle:oh-p5-s6 harmonic 82.230 101.480   # SOURCE3 1
    angle_coeff @angle:oh-p5-s harmonic 85.370 102.880   # SOURCE3 3 1.6044
    angle_coeff @angle:oh-p5-sh harmonic 80.940 101.410   # SOURCE3 2 0.0000
    angle_coeff @angle:oh-p5-ss harmonic 78.780 104.330   # SOURCE3 6 2.0112
    angle_coeff @angle:o-p5-o harmonic 73.530 115.800   # SOURCE3 17 5.7902
    angle_coeff @angle:o-p5-oh harmonic 69.980 115.260   # SOURCE4 740 1.3004
    angle_coeff @angle:o-p5-os harmonic 70.340 116.090   # SOURCE3 35 3.2062
    angle_coeff @angle:o-p5-p2 harmonic 58.380 114.600   # SOURCE3 1
    angle_coeff @angle:o-p5-p3 harmonic 57.310 115.480   # SOURCE3 9 2.1084
    angle_coeff @angle:o-p5-p4 harmonic 56.910 114.660   # SOURCE3 1
    angle_coeff @angle:o-p5-p5 harmonic 62.020 113.440   # SOURCE3 1
    angle_coeff @angle:o-p5-s4 harmonic 80.110 110.230   # SOURCE3 1
    angle_coeff @angle:o-p5-s6 harmonic 79.570 111.750   # SOURCE3 1
    angle_coeff @angle:o-p5-s harmonic 81.840 116.940   # SOURCE3 3 2.9506
    angle_coeff @angle:o-p5-sh harmonic 77.150 114.560   # SOURCE3 3 1.7645
    angle_coeff @angle:os-p5-os harmonic 72.510 101.770   # SOURCE4 243 2.0816
    angle_coeff @angle:os-p5-p3 harmonic 60.190 103.670   # SOURCE3 2 0.0000
    angle_coeff @angle:os-p5-p5 harmonic 63.870 104.480   # SOURCE3 1
    angle_coeff @angle:os-p5-s4 harmonic 82.050 102.520   # SOURCE3 1
    angle_coeff @angle:os-p5-s6 harmonic 82.310 101.890   # SOURCE3 1
    angle_coeff @angle:o-p5-ss harmonic 76.760 112.460   # SOURCE3 6 2.7392
    angle_coeff @angle:os-p5-s harmonic 80.280 117.280   # SOURCE4 74 0.7542
    angle_coeff @angle:os-p5-sh harmonic 79.910 104.590   # SOURCE3 2 0.0000
    angle_coeff @angle:os-p5-ss harmonic 79.620 102.650   # SOURCE4 25 1.8093
    angle_coeff @angle:p2-p5-p2 harmonic 57.260 107.140   # SOURCE3 1
    angle_coeff @angle:p3-p5-p3 harmonic 56.920 105.230   # SOURCE3 3 5.1024
    angle_coeff @angle:p4-p5-p4 harmonic 57.300 101.620   # SOURCE3 1
    angle_coeff @angle:p5-p5-p5 harmonic 59.250 112.720   # SOURCE3 1
    angle_coeff @angle:s6-p5-s6 harmonic 98.920 105.180   # SOURCE3 1
    angle_coeff @angle:sh-p5-sh harmonic 97.210 104.560   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-p5-ss harmonic 95.280 107.130   # SOURCE3 1
    angle_coeff @angle:s-p5-s harmonic 100.790 114.130   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-p5-ss harmonic 93.470 109.610   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-pc-n harmonic 68.330 90.800   # SOURCE3 3 2.3423
    angle_coeff @angle:cd-pc-na harmonic 68.730 90.180   # SOURCE3 81 2.7619
    angle_coeff @angle:cc-pd-n harmonic 68.330 90.800   # SOURCE3 3 same_as_cd-pc-n
    angle_coeff @angle:cc-pd-na harmonic 68.730 90.180   # SOURCE3 81 same_as_cd-pc-na
    angle_coeff @angle:c2-pe-ca harmonic 62.070 101.440   # SOURCE3 3 0.7177
    angle_coeff @angle:c2-pe-ce harmonic 61.820 103.010   # SOURCE3 4 1.4470
    angle_coeff @angle:c2-pe-cg harmonic 65.280 104.030   # SOURCE3 3 3.8740
    angle_coeff @angle:c2-pe-n2 harmonic 71.820 94.140   # SOURCE3 1
    angle_coeff @angle:c2-pe-ne harmonic 66.880 98.700   # SOURCE3 12 5.3383
    angle_coeff @angle:c2-pe-o harmonic 65.620 115.160   # SOURCE3 2 0.0149
    angle_coeff @angle:c2-pe-p2 harmonic 64.330 107.820   # SOURCE3 1
    angle_coeff @angle:c2-pe-pe harmonic 60.830 102.990   # SOURCE3 9 8.2860
    angle_coeff @angle:c2-pe-px harmonic 64.550 97.370   # SOURCE3 4 0.6655
    angle_coeff @angle:c2-pe-py harmonic 64.310 96.710   # SOURCE3 4 1.2755
    angle_coeff @angle:c2-pe-s harmonic 83.060 111.160   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-pe-sx harmonic 77.900 95.110   # SOURCE3 4 0.2676
    angle_coeff @angle:c2-pe-sy harmonic 76.420 95.560   # SOURCE3 2 0.0462
    angle_coeff @angle:ca-pe-n2 harmonic 65.480 102.030   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-pe-o harmonic 64.570 106.880   # SOURCE3 2 0.0018
    angle_coeff @angle:ca-pe-p2 harmonic 64.350 100.790   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-pe-pf harmonic 61.170 99.700   # SOURCE3 2 0.0000
    angle_coeff @angle:ca-pe-s harmonic 81.050 107.930   # SOURCE3 1 0.0000
    angle_coeff @angle:c-pe-c2 harmonic 61.660 97.300   # SOURCE3 3 0.0335
    angle_coeff @angle:ce-pe-n2 harmonic 66.250 100.550   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-pe-o harmonic 64.690 107.440   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-pe-p2 harmonic 64.930 99.560   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-pe-s harmonic 82.230 105.540   # SOURCE3 1 0.0000
    angle_coeff @angle:cg-pe-n2 harmonic 70.820 101.790   # SOURCE3 1 0.0000
    angle_coeff @angle:cg-pe-o harmonic 69.640 107.620   # SOURCE3 1 0.0000
    angle_coeff @angle:cg-pe-p2 harmonic 66.260 104.680   # SOURCE3 2 5.1435
    angle_coeff @angle:cg-pe-s harmonic 85.560 108.600   # SOURCE3 4 2.6981
    angle_coeff @angle:n2-pe-n2 harmonic 72.340 108.140   # SOURCE3 1
    angle_coeff @angle:n2-pe-ne harmonic 68.550 106.800   # SOURCE3 6 4.5981
    angle_coeff @angle:n2-pe-o harmonic 70.860 115.390   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-pe-p2 harmonic 66.740 111.600   # SOURCE3 1
    angle_coeff @angle:n2-pe-pe harmonic 61.500 109.400   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-pe-px harmonic 63.500 110.300   # SOURCE3 3 6.0548
    angle_coeff @angle:n2-pe-py harmonic 68.340 93.680   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-pe-s harmonic 86.860 114.840   # SOURCE3 3 3.6512
    angle_coeff @angle:n2-pe-sx harmonic 79.730 97.830   # SOURCE3 1 0.0000
    angle_coeff @angle:n2-pe-sy harmonic 78.100 98.140   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-pe-o harmonic 68.170 110.240   # SOURCE3 3 3.8478
    angle_coeff @angle:ne-pe-p2 harmonic 66.630 104.480   # SOURCE3 2 7.1207
    angle_coeff @angle:ne-pe-s harmonic 85.380 109.190   # SOURCE3 5 3.6708
    angle_coeff @angle:o-pe-o harmonic 70.340 119.960   # SOURCE3 1 0.0000
    angle_coeff @angle:o-pe-p2 harmonic 66.560 114.230   # SOURCE3 1 0.0000
    angle_coeff @angle:o-pe-pe harmonic 53.630 145.960   # SOURCE3 1 0.0000
    angle_coeff @angle:o-pe-px harmonic 65.790 104.370   # SOURCE3 1 0.0000
    angle_coeff @angle:o-pe-py harmonic 65.210 104.490   # SOURCE3 1 0.0000
    angle_coeff @angle:o-pe-s harmonic 86.750 117.420   # SOURCE3 2 0.0426
    angle_coeff @angle:o-pe-sx harmonic 76.900 106.590   # SOURCE3 1 0.0000
    angle_coeff @angle:o-pe-sy harmonic 75.980 105.040   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-pe-pe harmonic 65.430 98.240   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-pe-px harmonic 63.970 108.280   # SOURCE3 2 6.2959
    angle_coeff @angle:p2-pe-py harmonic 62.850 110.870   # SOURCE3 3 8.1645
    angle_coeff @angle:p2-pe-s harmonic 85.370 111.280   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-pe-sx harmonic 81.920 95.730   # SOURCE3 1 0.0000
    angle_coeff @angle:p2-pe-sy harmonic 80.670 95.950   # SOURCE3 1 0.0000
    angle_coeff @angle:pe-pe-s harmonic 80.550 107.910   # SOURCE3 2 1.5577
    angle_coeff @angle:px-pe-s harmonic 83.060 107.620   # SOURCE3 2 3.7266
    angle_coeff @angle:py-pe-s harmonic 82.090 108.730   # SOURCE3 3 5.3201
    angle_coeff @angle:s-pe-s harmonic 88.130 178.440   # SOURCE3 1 0.0000
    angle_coeff @angle:s-pe-sx harmonic 99.120 108.320   # SOURCE3 2 3.0318
    angle_coeff @angle:s-pe-sy harmonic 98.190 106.930   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-pf-ca harmonic 62.070 101.440   # SOURCE3 3 same_as_c2-pe-ca
    angle_coeff @angle:c2-pf-cf harmonic 61.820 103.010   # SOURCE3 4 same_as_c2-pe-ce
    angle_coeff @angle:c2-pf-ch harmonic 65.280 104.030   # SOURCE3 3 same_as_c2-pe-cg
    angle_coeff @angle:c2-pf-n2 harmonic 71.820 94.140   # SOURCE3 1 same_as_c2-pe-n2
    angle_coeff @angle:c2-pf-nf harmonic 66.880 98.700   # SOURCE3 12 same_as_c2-pe-ne
    angle_coeff @angle:c2-pf-o harmonic 65.620 115.160   # SOURCE3 2 same_as_c2-pe-o
    angle_coeff @angle:c2-pf-p2 harmonic 64.330 107.820   # SOURCE3 1 same_as_c2-pe-p2
    angle_coeff @angle:c2-pf-pf harmonic 60.830 102.990   # SOURCE3 9 same_as_c2-pe-pe
    angle_coeff @angle:c2-pf-px harmonic 64.550 97.370   # SOURCE3 4 same_as_c2-pe-px
    angle_coeff @angle:c2-pf-py harmonic 64.310 96.710   # SOURCE3 4 same_as_c2-pe-py
    angle_coeff @angle:c2-pf-s harmonic 83.060 111.160   # SOURCE3 2 same_as_c2-pe-s
    angle_coeff @angle:c2-pf-sx harmonic 77.900 95.110   # SOURCE3 4 same_as_c2-pe-sx
    angle_coeff @angle:c2-pf-sy harmonic 76.420 95.560   # SOURCE3 2 same_as_c2-pe-sy
    angle_coeff @angle:ca-pf-n2 harmonic 65.480 102.030   # SOURCE3 1 same_as_ca-pe-n2
    angle_coeff @angle:ca-pf-o harmonic 64.570 106.880   # SOURCE3 2 same_as_ca-pe-o
    angle_coeff @angle:ca-pf-p2 harmonic 64.350 100.790   # SOURCE3 1 same_as_ca-pe-p2
    angle_coeff @angle:ca-pf-pe harmonic 61.170 99.700   # SOURCE3 2 0.0000
    angle_coeff @angle:ca-pf-s harmonic 81.050 107.930   # SOURCE3 1 same_as_ca-pe-s
    angle_coeff @angle:c-pf-c2 harmonic 61.660 97.300   # SOURCE3 3 same_as_c-pe-c2
    angle_coeff @angle:cf-pf-n2 harmonic 66.250 100.550   # SOURCE3 1 same_as_ce-pe-n2
    angle_coeff @angle:cf-pf-o harmonic 64.690 107.440   # SOURCE3 1 same_as_ce-pe-o
    angle_coeff @angle:cf-pf-p2 harmonic 64.930 99.560   # SOURCE3 1 same_as_ce-pe-p2
    angle_coeff @angle:cf-pf-s harmonic 82.230 105.540   # SOURCE3 1 same_as_ce-pe-s
    angle_coeff @angle:ch-pf-n2 harmonic 70.820 101.790   # SOURCE3 1 same_as_cg-pe-n2
    angle_coeff @angle:ch-pf-o harmonic 69.640 107.620   # SOURCE3 1 same_as_cg-pe-o
    angle_coeff @angle:ch-pf-p2 harmonic 66.260 104.680   # SOURCE3 2 same_as_cg-pe-p2
    angle_coeff @angle:ch-pf-s harmonic 85.560 108.600   # SOURCE3 4 same_as_cg-pe-s
    angle_coeff @angle:n2-pf-n2 harmonic 72.340 108.140   # SOURCE3 1 same_as_n2-pe-n2
    angle_coeff @angle:n2-pf-nf harmonic 68.550 106.800   # SOURCE3 6 same_as_n2-pe-ne
    angle_coeff @angle:n2-pf-o harmonic 70.860 115.390   # SOURCE3 1 same_as_n2-pe-o
    angle_coeff @angle:n2-pf-p2 harmonic 66.740 111.600   # SOURCE3 1 same_as_n2-pe-p2
    angle_coeff @angle:n2-pf-pf harmonic 61.500 109.400   # SOURCE3 1 same_as_n2-pe-pe
    angle_coeff @angle:n2-pf-px harmonic 63.500 110.300   # SOURCE3 3 same_as_n2-pe-px
    angle_coeff @angle:n2-pf-py harmonic 68.340 93.680   # SOURCE3 1 same_as_n2-pe-py
    angle_coeff @angle:n2-pf-s harmonic 86.860 114.840   # SOURCE3 3 same_as_n2-pe-s
    angle_coeff @angle:n2-pf-sx harmonic 79.730 97.830   # SOURCE3 1 same_as_n2-pe-sx
    angle_coeff @angle:n2-pf-sy harmonic 78.100 98.140   # SOURCE3 1 same_as_n2-pe-sy
    angle_coeff @angle:nf-pf-o harmonic 68.170 110.240   # SOURCE3 3 same_as_ne-pe-o
    angle_coeff @angle:nf-pf-p2 harmonic 66.630 104.480   # SOURCE3 2 same_as_ne-pe-p2
    angle_coeff @angle:nf-pf-s harmonic 85.380 109.190   # SOURCE3 5 same_as_ne-pe-s
    angle_coeff @angle:o-pf-o harmonic 70.340 119.960   # SOURCE3 1 same_as_o-pe-o
    angle_coeff @angle:o-pf-p2 harmonic 66.560 114.230   # SOURCE3 1 same_as_o-pe-p2
    angle_coeff @angle:o-pf-pf harmonic 53.630 145.960   # SOURCE3 1 same_as_o-pe-pe
    angle_coeff @angle:o-pf-px harmonic 65.790 104.370   # SOURCE3 1 same_as_o-pe-px
    angle_coeff @angle:o-pf-py harmonic 65.210 104.490   # SOURCE3 1 same_as_o-pe-py
    angle_coeff @angle:o-pf-s harmonic 86.750 117.420   # SOURCE3 2 same_as_o-pe-s
    angle_coeff @angle:o-pf-sx harmonic 76.900 106.590   # SOURCE3 1 same_as_o-pe-sx
    angle_coeff @angle:o-pf-sy harmonic 75.980 105.040   # SOURCE3 1 same_as_o-pe-sy
    angle_coeff @angle:p2-pf-pf harmonic 65.430 98.240   # SOURCE3 1 same_as_p2-pe-pe
    angle_coeff @angle:p2-pf-px harmonic 63.970 108.280   # SOURCE3 2 same_as_p2-pe-px
    angle_coeff @angle:p2-pf-py harmonic 62.850 110.870   # SOURCE3 3 same_as_p2-pe-py
    angle_coeff @angle:p2-pf-s harmonic 85.370 111.280   # SOURCE3 1 same_as_p2-pe-s
    angle_coeff @angle:p2-pf-sx harmonic 81.920 95.730   # SOURCE3 1 same_as_p2-pe-sx
    angle_coeff @angle:p2-pf-sy harmonic 80.670 95.950   # SOURCE3 1 same_as_p2-pe-sy
    angle_coeff @angle:pf-pf-s harmonic 80.550 107.910   # SOURCE3 2 same_as_pe-pe-s
    angle_coeff @angle:px-pf-s harmonic 83.060 107.620   # SOURCE3 2 same_as_px-pe-s
    angle_coeff @angle:py-pf-s harmonic 82.090 108.730   # SOURCE3 3 same_as_py-pe-s
    angle_coeff @angle:s-pf-s harmonic 88.130 178.440   # SOURCE3 1 same_as_s-pe-s
    angle_coeff @angle:s-pf-sx harmonic 99.120 108.320   # SOURCE3 2 same_as_s-pe-sx
    angle_coeff @angle:s-pf-sy harmonic 98.190 106.930   # SOURCE3 1 same_as_s-pe-sy
    angle_coeff @angle:c3-px-ca harmonic 59.090 104.790   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-px-ce harmonic 59.140 104.860   # SOURCE3 4 0.6354
    angle_coeff @angle:c3-px-cf harmonic 59.140 104.860   # SOURCE3 4 same_as_c3-px-ce
    angle_coeff @angle:c3-px-ne harmonic 63.210 102.460   # SOURCE3 7 1.8685
    angle_coeff @angle:c3-px-nf harmonic 63.210 102.460   # SOURCE3 7 same_as_c3-px-ne
    angle_coeff @angle:c3-px-o harmonic 62.960 113.680   # SOURCE3 28 4.8990
    angle_coeff @angle:c3-px-pe harmonic 60.390 105.730   # SOURCE3 10 4.4059
    angle_coeff @angle:c3-px-pf harmonic 60.390 105.730   # SOURCE3 10 same_as_c3-px-pe
    angle_coeff @angle:c3-px-py harmonic 57.460 103.110   # SOURCE3 3 0.8680
    angle_coeff @angle:c3-px-sx harmonic 72.950 99.550   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-px-sy harmonic 71.410 103.410   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-px-ca harmonic 59.260 104.150   # SOURCE3 2 3.6168
    angle_coeff @angle:ca-px-o harmonic 64.720 107.500   # SOURCE3 5 5.7355
    angle_coeff @angle:c-px-c3 harmonic 58.650 101.720   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-px-ce harmonic 59.370 104.210   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-px-o harmonic 63.000 113.790   # SOURCE3 6 0.3877
    angle_coeff @angle:cf-px-cf harmonic 59.370 104.210   # SOURCE3 1 same_as_ce-px-ce
    angle_coeff @angle:cf-px-o harmonic 63.000 113.790   # SOURCE3 6 same_as_ce-px-o
    angle_coeff @angle:c-px-o harmonic 60.710 114.470   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-px-ne harmonic 66.990 103.220   # SOURCE3 2 0.6807
    angle_coeff @angle:ne-px-o harmonic 67.560 114.130   # SOURCE3 11 8.9737
    angle_coeff @angle:nf-px-nf harmonic 66.990 103.220   # SOURCE3 2 same_as_ne-px-ne
    angle_coeff @angle:nf-px-o harmonic 67.560 114.130   # SOURCE3 11 same_as_ne-px-o
    angle_coeff @angle:o-px-pe harmonic 62.400 116.500   # SOURCE3 12 8.2925
    angle_coeff @angle:o-px-pf harmonic 62.400 116.500   # SOURCE3 12 same_as_o-px-pe
    angle_coeff @angle:o-px-py harmonic 57.960 114.200   # SOURCE3 5 1.7165
    angle_coeff @angle:o-px-sx harmonic 72.440 112.810   # SOURCE3 3 0.8799
    angle_coeff @angle:o-px-sy harmonic 71.990 113.540   # SOURCE3 3 0.5010
    angle_coeff @angle:pe-px-pe harmonic 61.250 110.710   # SOURCE3 1 0.0000
    angle_coeff @angle:pf-px-pf harmonic 61.250 110.710   # SOURCE3 1 same_as_pe-px-pe
    angle_coeff @angle:py-px-py harmonic 56.600 107.780   # SOURCE3 1 0.0000
    angle_coeff @angle:sx-px-sx harmonic 94.100 96.240   # SOURCE3 1 0.0000
    angle_coeff @angle:sy-px-sy harmonic 90.960 102.360   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-py-n4 harmonic 59.670 103.830   # SOURCE3 4 0.0000
    angle_coeff @angle:c3-py-na harmonic 61.950 106.890   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-py-o harmonic 62.250 117.870   # SOURCE3 13 2.3554
    angle_coeff @angle:c3-py-oh harmonic 65.880 100.160   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-py-os harmonic 64.170 105.390   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-py-px harmonic 56.690 106.270   # SOURCE3 2 0.0000
    angle_coeff @angle:c3-py-py harmonic 54.980 113.970   # SOURCE3 10 1.6346
    angle_coeff @angle:c3-py-sx harmonic 70.270 106.360   # SOURCE3 4 0.0000
    angle_coeff @angle:ca-py-ca harmonic 59.130 107.550   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-py-o harmonic 63.640 113.980   # SOURCE3 3 0.5309
    angle_coeff @angle:ca-py-oh harmonic 65.370 102.680   # SOURCE4 5 1.2945
    angle_coeff @angle:ca-py-os harmonic 64.980 103.750   # SOURCE3 2 0.0000
    angle_coeff @angle:c-py-c3 harmonic 57.070 110.360   # SOURCE3 1 0.0000
    angle_coeff @angle:c-py-c harmonic 57.910 104.200   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-py-ce harmonic 59.600 106.540   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-py-o harmonic 64.310 112.160   # SOURCE3 5 3.2594
    angle_coeff @angle:ce-py-oh harmonic 64.850 104.770   # SOURCE3 6 2.1852
    angle_coeff @angle:ce-py-os harmonic 65.240 103.340   # SOURCE3 2 0.0000
    angle_coeff @angle:cf-py-cf harmonic 59.600 106.540   # SOURCE3 1 same_as_ce-py-ce
    angle_coeff @angle:cf-py-o harmonic 64.310 112.160   # SOURCE3 5 same_as_ce-py-o
    angle_coeff @angle:cf-py-oh harmonic 64.850 104.770   # SOURCE3 6 same_as_ce-py-oh
    angle_coeff @angle:cf-py-os harmonic 65.240 103.340   # SOURCE3 2 same_as_ce-py-os
    angle_coeff @angle:c-py-o harmonic 61.560 115.250   # SOURCE3 6 2.6519
    angle_coeff @angle:c-py-oh harmonic 63.980 102.140   # SOURCE3 6 1.0654
    angle_coeff @angle:c-py-os harmonic 66.040 95.740   # SOURCE3 3 9.0999
    angle_coeff @angle:n3-py-ne harmonic 67.010 108.440   # SOURCE4 12 0.9498
    angle_coeff @angle:n4-py-o harmonic 62.060 115.580   # SOURCE3 4 0.0000
    angle_coeff @angle:n4-py-py harmonic 79.860 55.100   # SOURCE3 4 0.0000
    angle_coeff @angle:na-py-o harmonic 65.180 122.400   # SOURCE3 2 0.0000
    angle_coeff @angle:na-py-py harmonic 85.440 50.880   # SOURCE3 2 0.0000
    angle_coeff @angle:ne-py-ne harmonic 69.540 106.290   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-py-o harmonic 70.320 113.210   # SOURCE3 15 3.8894
    angle_coeff @angle:ne-py-oh harmonic 70.530 104.700   # SOURCE3 26 2.7513
    angle_coeff @angle:ne-py-os harmonic 71.610 101.330   # SOURCE3 2 0.0000
    angle_coeff @angle:nf-py-nf harmonic 69.540 106.290   # SOURCE3 1 same_as_ne-py-ne
    angle_coeff @angle:nf-py-o harmonic 70.320 113.210   # SOURCE3 15 same_as_ne-py-o
    angle_coeff @angle:nf-py-oh harmonic 70.530 104.700   # SOURCE3 26 same_as_ne-py-oh
    angle_coeff @angle:nf-py-os harmonic 71.610 101.330   # SOURCE3 2 same_as_ne-py-os
    angle_coeff @angle:oh-py-oh harmonic 72.010 101.780   # SOURCE3 35 2.2937
    angle_coeff @angle:oh-py-pe harmonic 64.390 104.840   # SOURCE3 22 2.0337
    angle_coeff @angle:oh-py-pf harmonic 64.390 104.840   # SOURCE3 22 same_as_oh-py-pe
    angle_coeff @angle:oh-py-px harmonic 60.300 104.300   # SOURCE3 8 1.2772
    angle_coeff @angle:oh-py-py harmonic 61.760 100.450   # SOURCE3 6 0.0000
    angle_coeff @angle:oh-py-sx harmonic 75.730 100.940   # SOURCE3 4 0.0000
    angle_coeff @angle:oh-py-sy harmonic 77.890 101.470   # SOURCE3 6 0.2490
    angle_coeff @angle:o-py-oh harmonic 69.900 116.140   # SOURCE3 79 2.1455
    angle_coeff @angle:o-py-os harmonic 69.600 116.790   # SOURCE3 17 1.3534
    angle_coeff @angle:o-py-pe harmonic 62.460 114.560   # SOURCE3 12 3.6114
    angle_coeff @angle:o-py-pf harmonic 62.460 114.560   # SOURCE3 12 same_as_o-py-pe
    angle_coeff @angle:o-py-px harmonic 58.710 111.370   # SOURCE3 5 0.3803
    angle_coeff @angle:o-py-py harmonic 56.790 120.430   # SOURCE3 16 6.0629
    angle_coeff @angle:os-py-os harmonic 72.020 101.250   # SOURCE3 8 2.0860
    angle_coeff @angle:os-py-py harmonic 60.540 104.480   # SOURCE3 4 0.0000
    angle_coeff @angle:os-py-sx harmonic 74.640 103.860   # SOURCE3 2 0.0000
    angle_coeff @angle:os-py-sy harmonic 77.620 102.120   # SOURCE3 2 0.0000
    angle_coeff @angle:o-py-sx harmonic 70.140 118.560   # SOURCE3 7 6.2976
    angle_coeff @angle:o-py-sy harmonic 74.750 111.710   # SOURCE3 5 1.1937
    angle_coeff @angle:pe-py-pe harmonic 61.640 107.140   # SOURCE3 1 0.0000
    angle_coeff @angle:pf-py-pf harmonic 61.640 107.140   # SOURCE3 1 same_as_pe-py-pe
    angle_coeff @angle:py-py-py harmonic 55.680 112.700   # SOURCE3 1 0.0000
    angle_coeff @angle:py-py-sx harmonic 93.740 61.540   # SOURCE3 4 0.0000
    angle_coeff @angle:sy-py-sy harmonic 92.490 105.170   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-s2-o harmonic 41.150 117.250   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-s2-n2 harmonic 42.960 110.840   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-s2-o harmonic 41.410 114.700   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-s2-n1 harmonic 35.940 117.700   # SOURCE2 1 0.0000
    angle_coeff @angle:f-s2-n1 harmonic 41.390 116.900   # SOURCE2 1 0.0000
    angle_coeff @angle:n1-s2-o harmonic 45.710 108.460   # HF/6-31G* 1
    angle_coeff @angle:n2-s2-o harmonic 42.500 121.200   # SOURCE2 2 0.8000
    angle_coeff @angle:o-s2-o harmonic 42.540 116.170   # SOURCE3 1 0.0000
    angle_coeff @angle:o-s2-s harmonic 50.510 118.300   # SOURCE2 1 0.0000
    angle_coeff @angle:s-s2-s harmonic 63.640 115.040   # SOURCE3 1 0.0000
    angle_coeff @angle:br-s4-br harmonic 40.430 98.020   # SOURCE3 1
    angle_coeff @angle:br-s4-c3 harmonic 38.910 92.980   # SOURCE3 1 0.0000
    angle_coeff @angle:br-s4-o harmonic 37.040 112.070   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-s4-c1 harmonic 40.890 93.550   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-s4-o harmonic 41.280 110.360   # SOURCE3 2 0.0000
    angle_coeff @angle:c2-s4-c2 harmonic 38.790 102.290   # SOURCE3 1
    angle_coeff @angle:c2-s4-c3 harmonic 39.720 94.950   # SOURCE3 1
    angle_coeff @angle:c2-s4-o harmonic 41.680 107.090   # SOURCE3 1
    angle_coeff @angle:c3-s4-c3 harmonic 38.840 96.820   # SOURCE3 11 1.5580
    angle_coeff @angle:c3-s4-ca harmonic 39.410 95.000   # SOURCE3 1
    angle_coeff @angle:c3-s4-f harmonic 41.500 91.700   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s4-hs harmonic 29.130 90.600   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s4-i harmonic 33.080 90.530   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s4-n2 harmonic 43.220 90.590   # SOURCE3 1
    angle_coeff @angle:c3-s4-n3 harmonic 40.780 94.490   # SOURCE3 4 1.5570
    angle_coeff @angle:c3-s4-n harmonic 40.220 96.070   # SOURCE3 4 1.0354
    angle_coeff @angle:c3-s4-n4 harmonic 38.790 92.470   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s4-na harmonic 40.740 93.070   # SOURCE3 10 1.8813
    angle_coeff @angle:c3-s4-nh harmonic 40.360 97.080   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s4-no harmonic 39.130 89.530   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s4-o harmonic 41.060 106.210   # SOURCE3 60 2.0426
    angle_coeff @angle:c3-s4-oh harmonic 42.680 90.250   # SOURCE4 8 0.3023
    angle_coeff @angle:c3-s4-os harmonic 42.690 90.060   # SOURCE3 4 0.4484
    angle_coeff @angle:c3-s4-p2 harmonic 37.780 94.370   # SOURCE3 1
    angle_coeff @angle:c3-s4-p3 harmonic 38.650 96.540   # SOURCE3 4 1.3634
    angle_coeff @angle:c3-s4-p4 harmonic 36.430 97.400   # SOURCE3 1
    angle_coeff @angle:c3-s4-p5 harmonic 38.720 99.180   # SOURCE3 1
    angle_coeff @angle:c3-s4-s4 harmonic 50.930 89.500   # SOURCE3 1
    angle_coeff @angle:c3-s4-s harmonic 48.550 98.720   # SOURCE3 2 0.0185
    angle_coeff @angle:c3-s4-s6 harmonic 48.800 97.480   # SOURCE3 1
    angle_coeff @angle:c3-s4-sh harmonic 48.100 94.660   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s4-ss harmonic 47.970 95.310   # SOURCE3 3 1.4101
    angle_coeff @angle:ca-s4-ca harmonic 39.580 95.210   # SOURCE3 1
    angle_coeff @angle:ca-s4-o harmonic 41.300 106.630   # SOURCE3 1
    angle_coeff @angle:c-s4-c3 harmonic 38.500 95.070   # SOURCE3 1
    angle_coeff @angle:c-s4-c harmonic 39.630 86.830   # SOURCE3 1
    angle_coeff @angle:cl-s4-cl harmonic 38.990 97.680   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-s4-o harmonic 39.110 108.340   # SOURCE3 2 0.0000
    angle_coeff @angle:c-s4-o harmonic 40.030 106.170   # SOURCE3 1
    angle_coeff @angle:cx-s4-cx harmonic 54.250 48.800   # SOURCE2 1 0.0000
    angle_coeff @angle:cx-s4-o harmonic 40.110 110.000   # SOURCE2 1 0.0000
    angle_coeff @angle:f-s4-f harmonic 43.790 92.710   # SOURCE2 3 0.1490
    angle_coeff @angle:f-s4-o harmonic 43.870 106.810   # SOURCE2 2 0.0100
    angle_coeff @angle:f-s4-s harmonic 47.340 107.500   # SOURCE2 1 0.0000
    angle_coeff @angle:hs-s4-hs harmonic 23.650 87.000   # SOURCE3 2 0.0202
    angle_coeff @angle:hs-s4-n1 harmonic 32.050 90.510   # HF/6-31G* 1
    angle_coeff @angle:hs-s4-o harmonic 31.160 110.270   # SOURCE3 5 0.1908
    angle_coeff @angle:i-s4-i harmonic 34.070 97.290   # SOURCE3 1
    angle_coeff @angle:i-s4-o harmonic 29.610 113.910   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-s4-n1 harmonic 45.300 94.020   # HF/6-31G* 1
    angle_coeff @angle:n1-s4-o harmonic 43.950 110.090   # HF/6-31G* 1
    angle_coeff @angle:n2-s4-n2 harmonic 47.410 90.170   # SOURCE3 1
    angle_coeff @angle:n2-s4-o harmonic 45.130 107.570   # SOURCE3 1
    angle_coeff @angle:n3-s4-n3 harmonic 43.100 91.190   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-s4-o harmonic 42.290 109.070   # SOURCE3 6 2.3605
    angle_coeff @angle:n4-s4-n4 harmonic 37.790 94.610   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-s4-o harmonic 39.520 104.910   # SOURCE3 3 0.4370
    angle_coeff @angle:na-s4-na harmonic 39.810 103.100   # SOURCE3 1
    angle_coeff @angle:na-s4-o harmonic 41.620 109.750   # SOURCE3 10 2.6919
    angle_coeff @angle:nh-s4-nh harmonic 43.150 92.240   # SOURCE3 1 0.0000
    angle_coeff @angle:nh-s4-o harmonic 42.790 107.540   # SOURCE3 3 0.0401
    angle_coeff @angle:n-s4-n harmonic 42.570 91.300   # SOURCE3 1
    angle_coeff @angle:n-s4-o harmonic 42.600 105.700   # SOURCE3 4 1.6857
    angle_coeff @angle:no-s4-no harmonic 39.760 83.400   # SOURCE3 1 0.0000
    angle_coeff @angle:no-s4-o harmonic 39.370 103.580   # SOURCE3 3 1.5109
    angle_coeff @angle:oh-s4-oh harmonic 43.170 100.340   # SOURCE3 1
    angle_coeff @angle:o-s4-o harmonic 46.570 110.610   # SOURCE3 5 3.6413
    angle_coeff @angle:o-s4-oh harmonic 43.430 110.130   # SOURCE4 10 0.5760
    angle_coeff @angle:o-s4-os harmonic 43.590 109.020   # SOURCE3 8 1.5005
    angle_coeff @angle:o-s4-p2 harmonic 37.660 106.770   # SOURCE3 1
    angle_coeff @angle:o-s4-p3 harmonic 39.430 106.510   # SOURCE3 8 4.0943
    angle_coeff @angle:o-s4-p4 harmonic 37.270 103.360   # SOURCE3 1
    angle_coeff @angle:o-s4-p5 harmonic 42.180 96.950   # SOURCE3 1
    angle_coeff @angle:o-s4-s4 harmonic 50.530 104.550   # SOURCE3 1
    angle_coeff @angle:o-s4-s harmonic 48.850 112.220   # SOURCE3 4 2.8682
    angle_coeff @angle:o-s4-s6 harmonic 50.940 102.840   # SOURCE3 1
    angle_coeff @angle:o-s4-sh harmonic 47.960 107.510   # SOURCE3 3 0.7511
    angle_coeff @angle:os-s4-os harmonic 44.590 93.680   # SOURCE3 2 2.4166
    angle_coeff @angle:o-s4-ss harmonic 47.560 109.490   # SOURCE3 5 1.8509
    angle_coeff @angle:p2-s4-p2 harmonic 38.360 92.620   # SOURCE3 1
    angle_coeff @angle:p3-s4-p3 harmonic 39.590 95.710   # SOURCE3 2 1.2239
    angle_coeff @angle:p5-s4-p5 harmonic 40.900 93.860   # SOURCE3 1
    angle_coeff @angle:s4-s4-s4 harmonic 65.560 90.170   # SOURCE3 1
    angle_coeff @angle:s4-s4-s6 harmonic 65.560 90.170   # SOURCE3 1
    angle_coeff @angle:s6-s4-s6 harmonic 64.380 93.520   # SOURCE3 1
    angle_coeff @angle:sh-s4-sh harmonic 58.920 102.760   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-s4-ss harmonic 58.980 102.640   # SOURCE3 1
    angle_coeff @angle:s-s4-s harmonic 60.000 108.080   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-s4-ss harmonic 61.190 95.470   # SOURCE3 1 0.0000
    angle_coeff @angle:br-s6-br harmonic 41.990 101.570   # SOURCE3 1 0.0000
    angle_coeff @angle:br-s6-c3 harmonic 39.570 98.990   # SOURCE3 1 0.0000
    angle_coeff @angle:br-s6-f harmonic 39.450 100.600   # SOURCE2 1 0.0000
    angle_coeff @angle:br-s6-o harmonic 39.980 107.580   # SOURCE3 6 0.3000
    angle_coeff @angle:c1-s6-c1 harmonic 40.100 99.990   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-s6-o harmonic 42.610 108.230   # SOURCE3 4 0.0000
    angle_coeff @angle:c2-s6-c2 harmonic 38.710 102.750   # SOURCE3 1
    angle_coeff @angle:c2-s6-c3 harmonic 38.310 104.050   # SOURCE3 1
    angle_coeff @angle:c2-s6-o harmonic 42.250 106.580   # SOURCE3 1
    angle_coeff @angle:c3-s6-c3 harmonic 38.390 102.830   # SOURCE3 7 1.2531
    angle_coeff @angle:c3-s6-ca harmonic 38.480 103.170   # SOURCE3 1
    angle_coeff @angle:c3-s6-cy harmonic 39.140 94.570   # SOURCE4 8 0.4183
    angle_coeff @angle:c3-s6-f harmonic 41.130 97.110   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s6-hs harmonic 28.120 100.620   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s6-i harmonic 31.800 97.740   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s6-n2 harmonic 39.680 112.950   # SOURCE4 11 0.7920
    angle_coeff @angle:c3-s6-n3 harmonic 41.120 101.380   # SOURCE4 60 0.9507
    angle_coeff @angle:c3-s6-n harmonic 39.940 102.970   # SOURCE3 4 0.8785
    angle_coeff @angle:c3-s6-n4 harmonic 38.370 99.400   # SOURCE3 3 0.4695
    angle_coeff @angle:c3-s6-na harmonic 39.840 102.810   # SOURCE3 10 3.1256
    angle_coeff @angle:c3-s6-nh harmonic 39.880 104.310   # SOURCE4 34 1.5848
    angle_coeff @angle:c3-s6-no harmonic 37.590 99.570   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s6-o harmonic 41.660 108.320   # SOURCE3 112 1.8014
    angle_coeff @angle:c3-s6-oh harmonic 42.370 98.600   # SOURCE4 42 0.8366
    angle_coeff @angle:c3-s6-os harmonic 42.970 96.320   # SOURCE4 30 0.4539
    angle_coeff @angle:c3-s6-p2 harmonic 35.860 106.470   # SOURCE3 1
    angle_coeff @angle:c3-s6-p3 harmonic 37.690 103.400   # SOURCE3 3 0.8516
    angle_coeff @angle:c3-s6-p4 harmonic 35.150 104.120   # SOURCE3 1
    angle_coeff @angle:c3-s6-p5 harmonic 38.150 103.460   # SOURCE3 1
    angle_coeff @angle:c3-s6-s4 harmonic 48.920 98.100   # SOURCE3 1
    angle_coeff @angle:c3-s6-s harmonic 48.070 104.500   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s6-s6 harmonic 47.990 101.950   # SOURCE3 1
    angle_coeff @angle:c3-s6-sh harmonic 47.570 101.840   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-s6-ss harmonic 47.260 102.470   # SOURCE3 3 1.7451
    angle_coeff @angle:ca-s6-ca harmonic 38.670 103.080   # SOURCE3 1
    angle_coeff @angle:ca-s6-o harmonic 42.780 104.070   # SOURCE4 59 0.5636
    angle_coeff @angle:c-s6-c3 harmonic 37.620 101.240   # SOURCE3 1
    angle_coeff @angle:c-s6-c harmonic 36.960 99.820   # SOURCE3 1
    angle_coeff @angle:cc-s6-o harmonic 42.850 103.630   # SOURCE4 9 0.5934
    angle_coeff @angle:cl-s6-cl harmonic 38.290 101.250   # SOURCE3 1 0.0000
    angle_coeff @angle:cl-s6-f harmonic 38.940 99.000   # SOURCE2 1 0.0000
    angle_coeff @angle:cl-s6-o harmonic 39.360 107.660   # SOURCE3 4 0.0000
    angle_coeff @angle:c-s6-o harmonic 40.020 107.970   # SOURCE3 1
    angle_coeff @angle:c-s6-os harmonic 40.270 102.120   # SOURCE3 1
    angle_coeff @angle:cx-s6-cx harmonic 53.940 54.700   # SOURCE2 1 0.0000
    angle_coeff @angle:cy-s6-o harmonic 39.940 110.220   # SOURCE4 20 1.1009
    angle_coeff @angle:f-s6-f harmonic 44.300 94.700   # SOURCE2 3 0.9899
    angle_coeff @angle:f-s6-o harmonic 45.290 106.480   # SOURCE3 2 0.0000
    angle_coeff @angle:hs-s6-hs harmonic 22.430 99.020   # SOURCE3 2 0.0595
    angle_coeff @angle:hs-s6-n1 harmonic 34.230 97.270   # HF/6-31G* 1
    angle_coeff @angle:hs-s6-o harmonic 32.480 107.600   # SOURCE3 10 0.0343
    angle_coeff @angle:i-s6-i harmonic 33.730 99.250   # SOURCE3 1
    angle_coeff @angle:i-s6-o harmonic 29.870 109.740   # SOURCE3 2 0.0000
    angle_coeff @angle:n1-s6-n1 harmonic 52.370 95.520   # HF/6-31G* 1
    angle_coeff @angle:n1-s6-o harmonic 49.300 107.520   # HF/6-31G* 1
    angle_coeff @angle:n2-s6-n2 harmonic 47.050 98.610   # SOURCE3 1
    angle_coeff @angle:n2-s6-o harmonic 45.100 116.410   # SOURCE3 3 5.0830
    angle_coeff @angle:n2-s6-oh harmonic 44.890 106.960   # SOURCE3 2 0.0000
    angle_coeff @angle:n2-s6-os harmonic 45.860 103.250   # SOURCE3 1
    angle_coeff @angle:n3-s6-n3 harmonic 44.730 98.570   # SOURCE4 7 0.2690
    angle_coeff @angle:n3-s6-o harmonic 45.610 106.800   # SOURCE3 14 1.7908
    angle_coeff @angle:n3-s6-os harmonic 45.580 99.260   # SOURCE4 8 0.5141
    angle_coeff @angle:n4-s6-n4 harmonic 37.520 101.850   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-s6-o harmonic 41.190 102.920   # SOURCE3 10 1.5434
    angle_coeff @angle:na-s6-na harmonic 42.390 98.040   # SOURCE3 1
    angle_coeff @angle:na-s6-o harmonic 44.090 105.670   # SOURCE3 20 0.8019
    angle_coeff @angle:nh-s6-nh harmonic 43.940 94.560   # SOURCE3 1 0.0000
    angle_coeff @angle:nh-s6-o harmonic 43.940 109.120   # SOURCE3 6 0.9556
    angle_coeff @angle:n-s6-n harmonic 41.410 104.160   # SOURCE3 1
    angle_coeff @angle:n-s6-o harmonic 44.260 105.910   # SOURCE3 8 0.2953
    angle_coeff @angle:no-s6-no harmonic 38.320 91.630   # SOURCE3 1 0.0000
    angle_coeff @angle:no-s6-o harmonic 39.210 107.430   # SOURCE3 6 1.5494
    angle_coeff @angle:n-s6-os harmonic 44.300 99.230   # SOURCE4 5 0.9794
    angle_coeff @angle:oh-s6-oh harmonic 46.090 100.340   # SOURCE3 6 0.0076
    angle_coeff @angle:oh-s6-os harmonic 47.130 96.620   # SOURCE4 26 0.6688
    angle_coeff @angle:oh-s6-p2 harmonic 37.140 109.670   # SOURCE3 2 0.0000
    angle_coeff @angle:o-s6-o harmonic 46.660 119.730   # SOURCE4 324 2.0530
    angle_coeff @angle:o-s6-oh harmonic 46.380 108.210   # SOURCE3 18 0.7437
    angle_coeff @angle:o-s6-os harmonic 46.660 107.840   # SOURCE3 12 0.7025
    angle_coeff @angle:o-s6-p2 harmonic 37.890 106.610   # SOURCE3 1
    angle_coeff @angle:o-s6-p3 harmonic 39.630 107.070   # SOURCE3 22 1.0550
    angle_coeff @angle:o-s6-p4 harmonic 36.540 105.670   # SOURCE3 1
    angle_coeff @angle:o-s6-p5 harmonic 40.380 106.640   # SOURCE3 1
    angle_coeff @angle:o-s6-s4 harmonic 49.910 107.850   # SOURCE3 1
    angle_coeff @angle:o-s6-s harmonic 50.300 110.290   # SOURCE3 6 2.2405
    angle_coeff @angle:o-s6-s6 harmonic 50.330 106.070   # SOURCE3 1
    angle_coeff @angle:o-s6-sh harmonic 49.520 106.810   # SOURCE3 6 0.6292
    angle_coeff @angle:os-s6-os harmonic 46.800 98.700   # SOURCE3 1 0.0000
    angle_coeff @angle:o-s6-ss harmonic 49.150 107.430   # SOURCE3 10 1.1423
    angle_coeff @angle:p3-s6-p3 harmonic 37.080 110.170   # SOURCE3 4 5.3678
    angle_coeff @angle:p5-s6-p5 harmonic 38.770 104.490   # SOURCE3 1
    angle_coeff @angle:s4-s6-s4 harmonic 61.650 101.990   # SOURCE3 1
    angle_coeff @angle:s4-s6-s6 harmonic 65.560 90.170   # SOURCE3 1
    angle_coeff @angle:s6-s6-s6 harmonic 61.260 103.290   # SOURCE3 1
    angle_coeff @angle:sh-s6-sh harmonic 59.550 106.430   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-s6-ss harmonic 60.490 102.640   # SOURCE3 1
    angle_coeff @angle:s-s6-s harmonic 60.770 109.340   # SOURCE3 1 0.0000
    angle_coeff @angle:ss-s6-ss harmonic 60.590 101.820   # SOURCE3 1 0.0000
    angle_coeff @angle:br-sh-hs harmonic 27.240 95.640   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-sh-hs harmonic 30.170 95.990   # calculated_based_on_C#C-SH 0
    angle_coeff @angle:c2-sh-hs harmonic 28.660 97.080   # SOURCE4 5 0.3132
    angle_coeff @angle:c3-sh-hs harmonic 28.120 96.600   # SOURCE3 12 0.8009
    angle_coeff @angle:ca-sh-hs harmonic 28.980 94.840   # SOURCE4 13 0.4130
    angle_coeff @angle:cc-sh-hs harmonic 29.040 95.380   # SOURCE4 8 1.1410
    angle_coeff @angle:c-sh-hs harmonic 28.760 96.070   # SOURCE3 6 1.1164
    angle_coeff @angle:f-sh-hs harmonic 30.090 96.500   # SOURCE3 1 0.0000
    angle_coeff @angle:hs-sh-hs harmonic 23.430 93.720   # SOURCE3 3 0.4777
    angle_coeff @angle:hs-sh-i harmonic 23.210 96.440   # SOURCE3 1 0.0000
    angle_coeff @angle:hs-sh-n1 harmonic 32.340 93.510   # HF/6-31G* 1
    angle_coeff @angle:hs-sh-n2 harmonic 30.110 95.820   # SOURCE3 5 3.1495
    angle_coeff @angle:hs-sh-n harmonic 30.290 95.590   # SOURCE3 4 3.9065
    angle_coeff @angle:hs-sh-n3 harmonic 30.070 95.980   # SOURCE3 3 1.1735
    angle_coeff @angle:hs-sh-n4 harmonic 29.500 93.130   # SOURCE3 3 0.1675
    angle_coeff @angle:hs-sh-na harmonic 30.110 97.380   # SOURCE3 9 1.0223
    angle_coeff @angle:hs-sh-nh harmonic 29.730 101.110   # SOURCE3 1 0.0000
    angle_coeff @angle:hs-sh-no harmonic 29.630 92.930   # SOURCE3 1 0.0000
    angle_coeff @angle:hs-sh-o harmonic 30.170 109.230   # SOURCE3 2 0.0068
    angle_coeff @angle:hs-sh-oh harmonic 30.500 98.640   # SOURCE3 2 0.0605
    angle_coeff @angle:hs-sh-os harmonic 30.880 98.150   # SOURCE3 3 0.1661
    angle_coeff @angle:hs-sh-p2 harmonic 27.940 99.120   # SOURCE3 10 5.4110
    angle_coeff @angle:hs-sh-p3 harmonic 26.260 95.810   # SOURCE3 3 0.4396
    angle_coeff @angle:hs-sh-p4 harmonic 26.700 94.220   # SOURCE3 4 0.7605
    angle_coeff @angle:hs-sh-p5 harmonic 27.090 94.520   # SOURCE3 3 0.5589
    angle_coeff @angle:hs-sh-s harmonic 32.420 102.870   # SOURCE3 2 0.0000
    angle_coeff @angle:hs-sh-s4 harmonic 33.290 92.160   # SOURCE3 3 1.6519
    angle_coeff @angle:hs-sh-s6 harmonic 33.980 93.830   # SOURCE3 3 1.2561
    angle_coeff @angle:hs-sh-sh harmonic 33.890 99.070   # SOURCE3 2 0.0000
    angle_coeff @angle:hs-sh-ss harmonic 33.730 99.170   # SOURCE3 3 0.2457
    angle_coeff @angle:br-ss-br harmonic 41.920 102.920   # SOURCE3 1 0.0000
    angle_coeff @angle:br-ss-c3 harmonic 39.460 99.030   # SOURCE3 1 0.0000
    angle_coeff @angle:c1-ss-c1 harmonic 41.480 98.300   # SOURCE2 1 0.0000
    angle_coeff @angle:c1-ss-c3 harmonic 39.350 99.900   # SOURCE2 1 0.0000
    angle_coeff @angle:c2-ss-c2 harmonic 39.870 99.560   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-ss-c3 harmonic 38.710 100.370   # SOURCE4 100 2.3280
    angle_coeff @angle:c2-ss-cy harmonic 40.860 88.610   # SOURCE4 27 0.4481
    angle_coeff @angle:c2-ss-n2 harmonic 40.330 106.760   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-ss-na harmonic 40.680 100.510   # SOURCE3 6 6.9702
    angle_coeff @angle:c2-ss-os harmonic 43.660 89.760   # SOURCE3 1 0.0000
    angle_coeff @angle:c2-ss-ss harmonic 51.300 92.260   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-ss-c3 harmonic 37.940 99.920   # SOURCE3 14 2.0723
    angle_coeff @angle:c3-ss-ca harmonic 38.040 102.120   # SOURCE4 161 1.3084
    angle_coeff @angle:c3-ss-cc harmonic 38.610 100.850   # SOURCE4 74 1.3149
    angle_coeff @angle:c3-ss-cd harmonic 38.730 100.210   # SOURCE4 13 1.3340
    angle_coeff @angle:c3-ss-cl harmonic 37.940 99.400   # SOURCE2 1 0.0000
    angle_coeff @angle:c3-ss-cy harmonic 38.750 94.320   # SOURCE4 62 0.3646
    angle_coeff @angle:c3-ss-f harmonic 39.670 97.490   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-ss-i harmonic 35.060 100.000   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-ss-n1 harmonic 41.250 98.440   # HF/6-31G* 1
    angle_coeff @angle:c3-ss-n2 harmonic 41.260 96.420   # SOURCE3 5 1.3604
    angle_coeff @angle:c3-ss-n3 harmonic 40.110 98.830   # SOURCE3 3 0.2909
    angle_coeff @angle:c3-ss-n harmonic 39.860 100.300   # SOURCE3 4 0.6579
    angle_coeff @angle:c3-ss-n4 harmonic 39.380 97.790   # SOURCE3 3 0.2002
    angle_coeff @angle:c3-ss-na harmonic 39.740 100.140   # SOURCE3 12 1.7415
    angle_coeff @angle:c3-ss-nh harmonic 39.890 100.630   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-ss-no harmonic 39.050 98.620   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-ss-o harmonic 40.460 106.600   # SOURCE3 2 1.6714
    angle_coeff @angle:c3-ss-oh harmonic 40.850 98.280   # SOURCE3 2 1.4326
    angle_coeff @angle:c3-ss-os harmonic 40.650 98.210   # SOURCE3 4 1.7097
    angle_coeff @angle:c3-ss-p2 harmonic 39.660 98.410   # SOURCE3 8 0.9454
    angle_coeff @angle:c3-ss-p3 harmonic 37.720 98.700   # SOURCE3 3 0.0356
    angle_coeff @angle:c3-ss-p4 harmonic 38.030 98.160   # SOURCE3 4 0.1361
    angle_coeff @angle:c3-ss-p5 harmonic 37.500 100.220   # SOURCE4 23 1.1410
    angle_coeff @angle:c3-ss-s4 harmonic 47.600 96.370   # SOURCE3 3 0.0202
    angle_coeff @angle:c3-ss-s harmonic 47.470 101.900   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-ss-s6 harmonic 48.260 96.760   # SOURCE3 3 1.5680
    angle_coeff @angle:c3-ss-sh harmonic 47.800 101.930   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-ss-ss harmonic 47.780 103.100   # SOURCE4 70 1.3377
    angle_coeff @angle:ca-ss-ca harmonic 39.270 98.710   # SOURCE4 97 1.2321
    angle_coeff @angle:ca-ss-cc harmonic 41.730 89.010   # SOURCE4 88 1.2324
    angle_coeff @angle:ca-ss-cd harmonic 41.420 90.360   # SOURCE4 46 0.9833
    angle_coeff @angle:ca-ss-cl harmonic 37.980 101.050   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-ss-n harmonic 41.150 97.160   # SOURCE3 1
    angle_coeff @angle:ca-ss-na harmonic 40.520 99.320   # SOURCE3 1
    angle_coeff @angle:ca-ss-nc harmonic 43.300 94.760   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-ss-nd harmonic 43.300 94.760   # SOURCE3 1 same_as_ca-ss-nc
    angle_coeff @angle:ca-ss-ss harmonic 47.820 104.900   # SOURCE4 19 0.8743
    angle_coeff @angle:c-ss-c2 harmonic 41.060 92.430   # SOURCE3 1 0.0000
    angle_coeff @angle:c-ss-c3 harmonic 38.470 100.290   # SOURCE3 5 2.2127
    angle_coeff @angle:c-ss-c harmonic 38.920 101.400   # SOURCE3 1 0.0000
    angle_coeff @angle:c-ss-cc harmonic 41.050 92.430   # SOURCE4 14 2.3600
    angle_coeff @angle:cc-ss-cc harmonic 41.930 89.910   # SOURCE3 11 2.2164
    angle_coeff @angle:cc-ss-cd harmonic 41.970 89.740   # SOURCE4 49 0.7509
    angle_coeff @angle:cc-ss-n harmonic 41.560 97.160   # SOURCE3 1 same_as_cd-ss-n
    angle_coeff @angle:cc-ss-na harmonic 40.910 99.330   # SOURCE3 18 same_as_cd-ss-na
    angle_coeff @angle:cc-ss-nc harmonic 44.100 93.610   # SOURCE4 10 0.8252
    angle_coeff @angle:cc-ss-os harmonic 41.600 98.810   # SOURCE3 2 2.1583
    angle_coeff @angle:cc-ss-ss harmonic 48.670 102.460   # SOURCE3 2 0.0000
    angle_coeff @angle:cd-ss-cd harmonic 41.930 89.910   # SOURCE3 11 2.2164
    angle_coeff @angle:cd-ss-n harmonic 41.560 97.160   # SOURCE3 1 0.0000
    angle_coeff @angle:cd-ss-na harmonic 40.910 99.330   # SOURCE3 18 2.5847
    angle_coeff @angle:cd-ss-nd harmonic 43.630 95.660   # SOURCE3 3 0.0000
    angle_coeff @angle:cd-ss-os harmonic 41.600 98.810   # SOURCE3 2 same_as_cc-ss-os
    angle_coeff @angle:cd-ss-ss harmonic 50.980 93.360   # SOURCE4 11 0.3795
    angle_coeff @angle:cl-ss-cl harmonic 37.900 103.370   # SOURCE3 1 0.0000
    angle_coeff @angle:cx-ss-cx harmonic 54.740 48.300   # SOURCE2 1 0.0000
    angle_coeff @angle:f-ss-f harmonic 41.410 98.300   # SOURCE2 1 0.0000
    angle_coeff @angle:f-ss-ss harmonic 47.400 108.300   # SOURCE2 1 0.0000
    angle_coeff @angle:i-ss-i harmonic 36.380 106.290   # SOURCE3 1 0.0000
    angle_coeff @angle:n1-ss-n1 harmonic 45.720 96.960   # HF/6-31G* 1
    angle_coeff @angle:n2-ss-n2 harmonic 44.500 96.750   # SOURCE3 1 0.0000
    angle_coeff @angle:n3-ss-n3 harmonic 41.610 102.340   # SOURCE3 1 0.0000
    angle_coeff @angle:n4-ss-n4 harmonic 39.760 101.190   # SOURCE3 1 0.0000
    angle_coeff @angle:na-ss-na harmonic 41.250 102.810   # SOURCE3 1 0.0000
    angle_coeff @angle:nc-ss-nc harmonic 46.990 97.750   # SOURCE4 8 0.3345
    angle_coeff @angle:nd-ss-nd harmonic 46.580 99.500   # SOURCE2 1 same_as_nc-ss-nc
    angle_coeff @angle:nh-ss-nh harmonic 40.860 107.890   # SOURCE3 1 0.0000
    angle_coeff @angle:n-ss-n harmonic 41.570 103.100   # SOURCE3 1 0.0000
    angle_coeff @angle:no-ss-no harmonic 38.430 106.430   # SOURCE3 1 0.0000
    angle_coeff @angle:oh-ss-oh harmonic 42.690 104.250   # SOURCE3 1 0.0000
    angle_coeff @angle:o-ss-o harmonic 43.680 119.300   # SOURCE2 1 0.0000
    angle_coeff @angle:o-ss-p5 harmonic 38.880 106.410   # SOURCE3 1 0.0000
    angle_coeff @angle:o-ss-s6 harmonic 49.380 105.390   # SOURCE3 1
    angle_coeff @angle:os-ss-os harmonic 42.400 102.990   # SOURCE3 1 0.0000
    angle_coeff @angle:o-ss-ss harmonic 49.130 112.700   # SOURCE2 1 0.0000
    angle_coeff @angle:p2-ss-p2 harmonic 41.220 99.520   # SOURCE3 1 0.0000
    angle_coeff @angle:p3-ss-p3 harmonic 37.800 101.670   # SOURCE3 1
    angle_coeff @angle:p5-ss-p5 harmonic 40.330 89.830   # SOURCE3 1 0.0000
    angle_coeff @angle:s4-ss-s4 harmonic 60.990 96.080   # SOURCE3 1 0.0000
    angle_coeff @angle:s4-ss-s6 harmonic 60.060 101.260   # SOURCE3 1
    angle_coeff @angle:s6-ss-s6 harmonic 60.590 101.810   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-ss-sh harmonic 60.410 107.540   # SOURCE3 1 0.0000
    angle_coeff @angle:sh-ss-ss harmonic 60.950 106.530   # SOURCE3 1
    angle_coeff @angle:s-ss-s harmonic 57.790 115.040   # SOURCE3 1
    angle_coeff @angle:ss-ss-ss harmonic 60.570 108.760   # SOURCE4 8 0.2385
    angle_coeff @angle:c3-sx-ca harmonic 38.700 96.410   # SOURCE4 13 0.3130
    angle_coeff @angle:c3-sx-cc harmonic 39.120 95.110   # SOURCE4 17 0.6557
    angle_coeff @angle:c3-sx-ce harmonic 39.300 94.950   # SOURCE3 3 0.0007
    angle_coeff @angle:c3-sx-cf harmonic 39.300 94.950   # SOURCE3 3 same_as_c3-sx-ce
    angle_coeff @angle:c3-sx-ne harmonic 40.880 90.060   # SOURCE3 5 1.9627
    angle_coeff @angle:c3-sx-nf harmonic 40.880 90.060   # SOURCE3 5 same_as_c3-sx-ne
    angle_coeff @angle:c3-sx-o harmonic 40.630 107.880   # SOURCE3 30 0.8721
    angle_coeff @angle:c3-sx-pe harmonic 38.060 94.320   # SOURCE3 7 0.5547
    angle_coeff @angle:c3-sx-pf harmonic 38.060 94.320   # SOURCE3 7 same_as_c3-sx-pe
    angle_coeff @angle:c3-sx-px harmonic 36.710 96.460   # SOURCE3 3 1.3351
    angle_coeff @angle:c3-sx-py harmonic 36.650 95.670   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-sx-sx harmonic 45.310 91.470   # SOURCE3 4 1.9919
    angle_coeff @angle:c3-sx-sy harmonic 46.490 95.470   # SOURCE3 3 2.8422
    angle_coeff @angle:ca-sx-ca harmonic 38.770 95.210   # SOURCE3 1 0.0000
    angle_coeff @angle:ca-sx-o harmonic 40.550 106.890   # SOURCE4 25 0.5562
    angle_coeff @angle:c-sx-c3 harmonic 38.800 92.710   # SOURCE3 3 0.3095
    angle_coeff @angle:c-sx-c harmonic 39.310 86.850   # SOURCE3 1 0.0000
    angle_coeff @angle:cc-sx-o harmonic 41.250 104.490   # SOURCE4 17 1.7759
    angle_coeff @angle:ce-sx-ce harmonic 39.430 94.960   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-sx-o harmonic 40.910 107.470   # SOURCE3 5 0.3128
    angle_coeff @angle:cf-sx-cf harmonic 39.430 94.960   # SOURCE3 1 same_as_ce-sx-ce
    angle_coeff @angle:cf-sx-o harmonic 40.910 107.470   # SOURCE3 5 same_as_ce-sx-o
    angle_coeff @angle:c-sx-o harmonic 39.710 106.170   # SOURCE3 5 0.9477
    angle_coeff @angle:ne-sx-ne harmonic 41.530 90.170   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-sx-o harmonic 40.900 109.200   # SOURCE3 7 1.4542
    angle_coeff @angle:nf-sx-nf harmonic 41.530 90.170   # SOURCE3 1 same_as_ne-sx-ne
    angle_coeff @angle:nf-sx-o harmonic 40.900 109.200   # SOURCE3 7 same_as_ne-sx-o
    angle_coeff @angle:o-sx-pe harmonic 38.070 106.430   # SOURCE3 9 2.8345
    angle_coeff @angle:o-sx-pf harmonic 38.070 106.430   # SOURCE3 9 same_as_o-sx-pe
    angle_coeff @angle:o-sx-px harmonic 37.160 104.770   # SOURCE3 3 1.9810
    angle_coeff @angle:o-sx-py harmonic 36.140 109.130   # SOURCE3 7 5.6840
    angle_coeff @angle:o-sx-sx harmonic 44.100 104.650   # SOURCE3 6 3.0524
    angle_coeff @angle:o-sx-sy harmonic 47.070 103.410   # SOURCE3 5 0.9618
    angle_coeff @angle:pe-sx-pe harmonic 38.750 92.620   # SOURCE3 1 0.0000
    angle_coeff @angle:pf-sx-pf harmonic 38.750 92.620   # SOURCE3 1 same_as_pe-sx-pe
    angle_coeff @angle:py-sx-py harmonic 43.010 69.230   # SOURCE3 3 17.4143
    angle_coeff @angle:sx-sx-sx harmonic 58.780 84.900   # SOURCE3 1 0.0000
    angle_coeff @angle:sy-sx-sy harmonic 59.380 93.520   # SOURCE3 1 0.0000
    angle_coeff @angle:c3-sy-ca harmonic 38.000 103.860   # SOURCE4 54 0.3180
    angle_coeff @angle:c3-sy-cc harmonic 38.280 102.190   # SOURCE4 12 1.5324
    angle_coeff @angle:c3-sy-ce harmonic 38.030 103.810   # SOURCE3 3 0.3368
    angle_coeff @angle:c3-sy-cf harmonic 38.030 103.810   # SOURCE3 3 same_as_c3-sy-ce
    angle_coeff @angle:c3-sy-ne harmonic 39.420 103.120   # SOURCE3 5 4.1882
    angle_coeff @angle:c3-sy-nf harmonic 39.420 103.120   # SOURCE3 5 same_as_c3-sy-ne
    angle_coeff @angle:c3-sy-o harmonic 41.280 108.480   # SOURCE3 62 0.8576
    angle_coeff @angle:c3-sy-pe harmonic 35.490 106.030   # SOURCE3 6 2.6117
    angle_coeff @angle:c3-sy-pf harmonic 35.490 106.030   # SOURCE3 6 same_as_c3-sy-pe
    angle_coeff @angle:c3-sy-px harmonic 35.450 103.620   # SOURCE3 3 0.7078
    angle_coeff @angle:c3-sy-py harmonic 36.330 103.390   # SOURCE3 3 0.4563
    angle_coeff @angle:c3-sy-sx harmonic 44.560 104.640   # SOURCE3 3 4.6276
    angle_coeff @angle:c3-sy-sy harmonic 45.480 100.780   # SOURCE3 4 1.1633
    angle_coeff @angle:ca-sy-ca harmonic 37.950 104.040   # SOURCE4 25 2.0762
    angle_coeff @angle:ca-sy-cc harmonic 37.720 105.090   # SOURCE4 5 0.3628
    angle_coeff @angle:ca-sy-n3 harmonic 40.110 102.480   # SOURCE4 180 1.0802
    angle_coeff @angle:ca-sy-n harmonic 39.350 105.450   # SOURCE4 51 1.1497
    angle_coeff @angle:ca-sy-ne harmonic 39.330 103.470   # SOURCE4 11 1.6071
    angle_coeff @angle:ca-sy-nh harmonic 39.330 105.590   # SOURCE4 78 1.5805
    angle_coeff @angle:ca-sy-o harmonic 41.200 108.730   # SOURCE3 26 1.2638
    angle_coeff @angle:ca-sy-oh harmonic 41.070 101.250   # SOURCE4 23 0.9100
    angle_coeff @angle:ca-sy-os harmonic 42.320 92.980   # SOURCE3 1 0.0000
    angle_coeff @angle:c-sy-c3 harmonic 37.600 101.250   # SOURCE3 3 1.1850
    angle_coeff @angle:c-sy-c harmonic 37.060 99.810   # SOURCE3 1 0.0000
    angle_coeff @angle:cc-sy-n3 harmonic 40.090 102.390   # SOURCE4 17 0.6395
    angle_coeff @angle:cc-sy-o harmonic 41.420 107.270   # SOURCE4 62 0.9782
    angle_coeff @angle:cd-sy-n3 harmonic 40.140 102.730   # SOURCE4 13 0.5722
    angle_coeff @angle:cd-sy-nh harmonic 41.070 97.200   # SOURCE4 6 0.2429
    angle_coeff @angle:cd-sy-o harmonic 41.360 108.420   # SOURCE4 38 0.6229
    angle_coeff @angle:ce-sy-ce harmonic 38.220 102.780   # SOURCE3 1 0.0000
    angle_coeff @angle:ce-sy-o harmonic 41.510 107.250   # SOURCE3 10 0.5477
    angle_coeff @angle:cf-sy-cf harmonic 38.220 102.780   # SOURCE3 1 same_as_ce-sy-ce
    angle_coeff @angle:cf-sy-o harmonic 41.510 107.250   # SOURCE3 10 same_as_ce-sy-o
    angle_coeff @angle:c-sy-o harmonic 40.090 107.230   # SOURCE3 10 0.8425
    angle_coeff @angle:f-sy-o harmonic 45.090 105.600   # SOURCE4 7 0.2000
    angle_coeff @angle:n2-sy-o harmonic 43.410 123.530   # SOURCE4 6 1.2388
    angle_coeff @angle:n3-sy-ne harmonic 41.520 102.400   # SOURCE4 5 1.3390
    angle_coeff @angle:n3-sy-o harmonic 44.080 107.110   # SOURCE4 375 1.1257
    angle_coeff @angle:na-sy-na harmonic 42.390 98.040   # SOURCE3 1
    angle_coeff @angle:nc-sy-nc harmonic 47.080 98.040   # SOURCE3 2
    angle_coeff @angle:nd-sy-nd harmonic 47.080 98.040   # SOURCE3 2
    angle_coeff @angle:ne-sy-ne harmonic 41.660 98.620   # SOURCE3 1 0.0000
    angle_coeff @angle:ne-sy-o harmonic 43.100 107.060   # SOURCE3 14 2.2705
    angle_coeff @angle:nf-sy-nf harmonic 41.660 98.620   # SOURCE3 1 same_as_ne-sy-ne
    angle_coeff @angle:nf-sy-o harmonic 43.100 107.060   # SOURCE3 14 same_as_ne-sy-o
    angle_coeff @angle:nh-sy-o harmonic 43.910 106.380   # SOURCE4 123 1.6517
    angle_coeff @angle:n-sy-o harmonic 43.660 107.500   # SOURCE4 61 1.8720
    angle_coeff @angle:o-sy-o harmonic 45.300 121.880   # SOURCE3 46 0.9495
    angle_coeff @angle:o-sy-oh harmonic 45.210 106.930   # SOURCE3 8 0.7424
    angle_coeff @angle:o-sy-os harmonic 44.040 108.310   # SOURCE4 7 0.1222
    angle_coeff @angle:o-sy-pe harmonic 37.280 106.900   # SOURCE3 12 1.4524
    angle_coeff @angle:o-sy-pf harmonic 37.280 106.900   # SOURCE3 12 same_as_o-sy-pe
    angle_coeff @angle:o-sy-px harmonic 36.810 106.170   # SOURCE3 6 0.7059
    angle_coeff @angle:o-sy-py harmonic 37.840 106.670   # SOURCE3 10 0.6478
    angle_coeff @angle:o-sy-sx harmonic 46.420 106.330   # SOURCE3 10 2.0456
    angle_coeff @angle:o-sy-sy harmonic 46.560 106.190   # SOURCE3 12 0.1754
    angle_coeff @angle:py-sy-py harmonic 36.250 104.490   # SOURCE3 1 0.0000
    angle_coeff @angle:sx-sy-sx harmonic 56.860 101.990   # SOURCE3 1 0.0000
    angle_coeff @angle:sy-sy-sy harmonic 56.630 103.290   # SOURCE3 1 0.0000
  } # (end of angle_coeffs)

  write_once("Data Angles By Type") {
    @angle:hw-ow-hw @atom:hw @atom:ow @atom:hw
    @angle:hw-hw-ow @atom:hw @atom:hw @atom:ow
    @angle:br-c1-br @atom:br @atom:c1 @atom:br
    @angle:br-c1-c1 @atom:br @atom:c1 @atom:c1
    @angle:c1-c1-c1 @atom:c1 @atom:c1 @atom:c1
    @angle:c1-c1-c2 @atom:c1 @atom:c1 @atom:c2
    @angle:c1-c1-c3 @atom:c1 @atom:c1 @atom:c3
    @angle:c1-c1-ca @atom:c1 @atom:c1 @atom:ca
    @angle:c1-c1-cl @atom:c1 @atom:c1 @atom:cl
    @angle:c1-c1-f @atom:c1 @atom:c1 @atom:f
    @angle:c1-c1-ha @atom:c1 @atom:c1 @atom:ha
    @angle:c1-c1-hc @atom:c1 @atom:c1 @atom:hc
    @angle:c1-c1-i @atom:c1 @atom:c1 @atom:i
    @angle:c1-c1-n1 @atom:c1 @atom:c1 @atom:n1
    @angle:c1-c1-n2 @atom:c1 @atom:c1 @atom:n2
    @angle:c1-c1-n3 @atom:c1 @atom:c1 @atom:n3
    @angle:c1-c1-n4 @atom:c1 @atom:c1 @atom:n4
    @angle:c1-c1-n @atom:c1 @atom:c1 @atom:n
    @angle:c1-c1-na @atom:c1 @atom:c1 @atom:na
    @angle:c1-c1-nh @atom:c1 @atom:c1 @atom:nh
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    @angle:c3-ss-n1 @atom:c3 @atom:ss @atom:n1
    @angle:c3-ss-n2 @atom:c3 @atom:ss @atom:n2
    @angle:c3-ss-n3 @atom:c3 @atom:ss @atom:n3
    @angle:c3-ss-n @atom:c3 @atom:ss @atom:n
    @angle:c3-ss-n4 @atom:c3 @atom:ss @atom:n4
    @angle:c3-ss-na @atom:c3 @atom:ss @atom:na
    @angle:c3-ss-nh @atom:c3 @atom:ss @atom:nh
    @angle:c3-ss-no @atom:c3 @atom:ss @atom:no
    @angle:c3-ss-o @atom:c3 @atom:ss @atom:o
    @angle:c3-ss-oh @atom:c3 @atom:ss @atom:oh
    @angle:c3-ss-os @atom:c3 @atom:ss @atom:os
    @angle:c3-ss-p2 @atom:c3 @atom:ss @atom:p2
    @angle:c3-ss-p3 @atom:c3 @atom:ss @atom:p3
    @angle:c3-ss-p4 @atom:c3 @atom:ss @atom:p4
    @angle:c3-ss-p5 @atom:c3 @atom:ss @atom:p5
    @angle:c3-ss-s4 @atom:c3 @atom:ss @atom:s4
    @angle:c3-ss-s @atom:c3 @atom:ss @atom:s
    @angle:c3-ss-s6 @atom:c3 @atom:ss @atom:s6
    @angle:c3-ss-sh @atom:c3 @atom:ss @atom:sh
    @angle:c3-ss-ss @atom:c3 @atom:ss @atom:ss
    @angle:ca-ss-ca @atom:ca @atom:ss @atom:ca
    @angle:ca-ss-cc @atom:ca @atom:ss @atom:cc
    @angle:ca-ss-cd @atom:ca @atom:ss @atom:cd
    @angle:ca-ss-cl @atom:ca @atom:ss @atom:cl
    @angle:ca-ss-n @atom:ca @atom:ss @atom:n
    @angle:ca-ss-na @atom:ca @atom:ss @atom:na
    @angle:ca-ss-nc @atom:ca @atom:ss @atom:nc
    @angle:ca-ss-nd @atom:ca @atom:ss @atom:nd
    @angle:ca-ss-ss @atom:ca @atom:ss @atom:ss
    @angle:c-ss-c2 @atom:c @atom:ss @atom:c2
    @angle:c-ss-c3 @atom:c @atom:ss @atom:c3
    @angle:c-ss-c @atom:c @atom:ss @atom:c
    @angle:c-ss-cc @atom:c @atom:ss @atom:cc
    @angle:cc-ss-cc @atom:cc @atom:ss @atom:cc
    @angle:cc-ss-cd @atom:cc @atom:ss @atom:cd
    @angle:cc-ss-n @atom:cc @atom:ss @atom:n
    @angle:cc-ss-na @atom:cc @atom:ss @atom:na
    @angle:cc-ss-nc @atom:cc @atom:ss @atom:nc
    @angle:cc-ss-os @atom:cc @atom:ss @atom:os
    @angle:cc-ss-ss @atom:cc @atom:ss @atom:ss
    @angle:cd-ss-cd @atom:cd @atom:ss @atom:cd
    @angle:cd-ss-n @atom:cd @atom:ss @atom:n
    @angle:cd-ss-na @atom:cd @atom:ss @atom:na
    @angle:cd-ss-nd @atom:cd @atom:ss @atom:nd
    @angle:cd-ss-os @atom:cd @atom:ss @atom:os
    @angle:cd-ss-ss @atom:cd @atom:ss @atom:ss
    @angle:cl-ss-cl @atom:cl @atom:ss @atom:cl
    @angle:cx-ss-cx @atom:cx @atom:ss @atom:cx
    @angle:f-ss-f @atom:f @atom:ss @atom:f
    @angle:f-ss-ss @atom:f @atom:ss @atom:ss
    @angle:i-ss-i @atom:i @atom:ss @atom:i
    @angle:n1-ss-n1 @atom:n1 @atom:ss @atom:n1
    @angle:n2-ss-n2 @atom:n2 @atom:ss @atom:n2
    @angle:n3-ss-n3 @atom:n3 @atom:ss @atom:n3
    @angle:n4-ss-n4 @atom:n4 @atom:ss @atom:n4
    @angle:na-ss-na @atom:na @atom:ss @atom:na
    @angle:nc-ss-nc @atom:nc @atom:ss @atom:nc
    @angle:nd-ss-nd @atom:nd @atom:ss @atom:nd
    @angle:nh-ss-nh @atom:nh @atom:ss @atom:nh
    @angle:n-ss-n @atom:n @atom:ss @atom:n
    @angle:no-ss-no @atom:no @atom:ss @atom:no
    @angle:oh-ss-oh @atom:oh @atom:ss @atom:oh
    @angle:o-ss-o @atom:o @atom:ss @atom:o
    @angle:o-ss-p5 @atom:o @atom:ss @atom:p5
    @angle:o-ss-s6 @atom:o @atom:ss @atom:s6
    @angle:os-ss-os @atom:os @atom:ss @atom:os
    @angle:o-ss-ss @atom:o @atom:ss @atom:ss
    @angle:p2-ss-p2 @atom:p2 @atom:ss @atom:p2
    @angle:p3-ss-p3 @atom:p3 @atom:ss @atom:p3
    @angle:p5-ss-p5 @atom:p5 @atom:ss @atom:p5
    @angle:s4-ss-s4 @atom:s4 @atom:ss @atom:s4
    @angle:s4-ss-s6 @atom:s4 @atom:ss @atom:s6
    @angle:s6-ss-s6 @atom:s6 @atom:ss @atom:s6
    @angle:sh-ss-sh @atom:sh @atom:ss @atom:sh
    @angle:sh-ss-ss @atom:sh @atom:ss @atom:ss
    @angle:s-ss-s @atom:s @atom:ss @atom:s
    @angle:ss-ss-ss @atom:ss @atom:ss @atom:ss
    @angle:c3-sx-ca @atom:c3 @atom:sx @atom:ca
    @angle:c3-sx-cc @atom:c3 @atom:sx @atom:cc
    @angle:c3-sx-ce @atom:c3 @atom:sx @atom:ce
    @angle:c3-sx-cf @atom:c3 @atom:sx @atom:cf
    @angle:c3-sx-ne @atom:c3 @atom:sx @atom:ne
    @angle:c3-sx-nf @atom:c3 @atom:sx @atom:nf
    @angle:c3-sx-o @atom:c3 @atom:sx @atom:o
    @angle:c3-sx-pe @atom:c3 @atom:sx @atom:pe
    @angle:c3-sx-pf @atom:c3 @atom:sx @atom:pf
    @angle:c3-sx-px @atom:c3 @atom:sx @atom:px
    @angle:c3-sx-py @atom:c3 @atom:sx @atom:py
    @angle:c3-sx-sx @atom:c3 @atom:sx @atom:sx
    @angle:c3-sx-sy @atom:c3 @atom:sx @atom:sy
    @angle:ca-sx-ca @atom:ca @atom:sx @atom:ca
    @angle:ca-sx-o @atom:ca @atom:sx @atom:o
    @angle:c-sx-c3 @atom:c @atom:sx @atom:c3
    @angle:c-sx-c @atom:c @atom:sx @atom:c
    @angle:cc-sx-o @atom:cc @atom:sx @atom:o
    @angle:ce-sx-ce @atom:ce @atom:sx @atom:ce
    @angle:ce-sx-o @atom:ce @atom:sx @atom:o
    @angle:cf-sx-cf @atom:cf @atom:sx @atom:cf
    @angle:cf-sx-o @atom:cf @atom:sx @atom:o
    @angle:c-sx-o @atom:c @atom:sx @atom:o
    @angle:ne-sx-ne @atom:ne @atom:sx @atom:ne
    @angle:ne-sx-o @atom:ne @atom:sx @atom:o
    @angle:nf-sx-nf @atom:nf @atom:sx @atom:nf
    @angle:nf-sx-o @atom:nf @atom:sx @atom:o
    @angle:o-sx-pe @atom:o @atom:sx @atom:pe
    @angle:o-sx-pf @atom:o @atom:sx @atom:pf
    @angle:o-sx-px @atom:o @atom:sx @atom:px
    @angle:o-sx-py @atom:o @atom:sx @atom:py
    @angle:o-sx-sx @atom:o @atom:sx @atom:sx
    @angle:o-sx-sy @atom:o @atom:sx @atom:sy
    @angle:pe-sx-pe @atom:pe @atom:sx @atom:pe
    @angle:pf-sx-pf @atom:pf @atom:sx @atom:pf
    @angle:py-sx-py @atom:py @atom:sx @atom:py
    @angle:sx-sx-sx @atom:sx @atom:sx @atom:sx
    @angle:sy-sx-sy @atom:sy @atom:sx @atom:sy
    @angle:c3-sy-ca @atom:c3 @atom:sy @atom:ca
    @angle:c3-sy-cc @atom:c3 @atom:sy @atom:cc
    @angle:c3-sy-ce @atom:c3 @atom:sy @atom:ce
    @angle:c3-sy-cf @atom:c3 @atom:sy @atom:cf
    @angle:c3-sy-ne @atom:c3 @atom:sy @atom:ne
    @angle:c3-sy-nf @atom:c3 @atom:sy @atom:nf
    @angle:c3-sy-o @atom:c3 @atom:sy @atom:o
    @angle:c3-sy-pe @atom:c3 @atom:sy @atom:pe
    @angle:c3-sy-pf @atom:c3 @atom:sy @atom:pf
    @angle:c3-sy-px @atom:c3 @atom:sy @atom:px
    @angle:c3-sy-py @atom:c3 @atom:sy @atom:py
    @angle:c3-sy-sx @atom:c3 @atom:sy @atom:sx
    @angle:c3-sy-sy @atom:c3 @atom:sy @atom:sy
    @angle:ca-sy-ca @atom:ca @atom:sy @atom:ca
    @angle:ca-sy-cc @atom:ca @atom:sy @atom:cc
    @angle:ca-sy-n3 @atom:ca @atom:sy @atom:n3
    @angle:ca-sy-n @atom:ca @atom:sy @atom:n
    @angle:ca-sy-ne @atom:ca @atom:sy @atom:ne
    @angle:ca-sy-nh @atom:ca @atom:sy @atom:nh
    @angle:ca-sy-o @atom:ca @atom:sy @atom:o
    @angle:ca-sy-oh @atom:ca @atom:sy @atom:oh
    @angle:ca-sy-os @atom:ca @atom:sy @atom:os
    @angle:c-sy-c3 @atom:c @atom:sy @atom:c3
    @angle:c-sy-c @atom:c @atom:sy @atom:c
    @angle:cc-sy-n3 @atom:cc @atom:sy @atom:n3
    @angle:cc-sy-o @atom:cc @atom:sy @atom:o
    @angle:cd-sy-n3 @atom:cd @atom:sy @atom:n3
    @angle:cd-sy-nh @atom:cd @atom:sy @atom:nh
    @angle:cd-sy-o @atom:cd @atom:sy @atom:o
    @angle:ce-sy-ce @atom:ce @atom:sy @atom:ce
    @angle:ce-sy-o @atom:ce @atom:sy @atom:o
    @angle:cf-sy-cf @atom:cf @atom:sy @atom:cf
    @angle:cf-sy-o @atom:cf @atom:sy @atom:o
    @angle:c-sy-o @atom:c @atom:sy @atom:o
    @angle:f-sy-o @atom:f @atom:sy @atom:o
    @angle:n2-sy-o @atom:n2 @atom:sy @atom:o
    @angle:n3-sy-ne @atom:n3 @atom:sy @atom:ne
    @angle:n3-sy-o @atom:n3 @atom:sy @atom:o
    @angle:na-sy-na @atom:na @atom:sy @atom:na
    @angle:nc-sy-nc @atom:nc @atom:sy @atom:nc
    @angle:nd-sy-nd @atom:nd @atom:sy @atom:nd
    @angle:ne-sy-ne @atom:ne @atom:sy @atom:ne
    @angle:ne-sy-o @atom:ne @atom:sy @atom:o
    @angle:nf-sy-nf @atom:nf @atom:sy @atom:nf
    @angle:nf-sy-o @atom:nf @atom:sy @atom:o
    @angle:nh-sy-o @atom:nh @atom:sy @atom:o
    @angle:n-sy-o @atom:n @atom:sy @atom:o
    @angle:o-sy-o @atom:o @atom:sy @atom:o
    @angle:o-sy-oh @atom:o @atom:sy @atom:oh
    @angle:o-sy-os @atom:o @atom:sy @atom:os
    @angle:o-sy-pe @atom:o @atom:sy @atom:pe
    @angle:o-sy-pf @atom:o @atom:sy @atom:pf
    @angle:o-sy-px @atom:o @atom:sy @atom:px
    @angle:o-sy-py @atom:o @atom:sy @atom:py
    @angle:o-sy-sx @atom:o @atom:sy @atom:sx
    @angle:o-sy-sy @atom:o @atom:sy @atom:sy
    @angle:py-sy-py @atom:py @atom:sy @atom:py
    @angle:sx-sy-sx @atom:sx @atom:sy @atom:sx
    @angle:sy-sy-sy @atom:sy @atom:sy @atom:sy
  } # (end of Angles By Type)

  write_once("In Settings") {
    dihedral_coeff @dihedral:X-c-c-X fourier 1 0.3 2 180.0    # 
    dihedral_coeff @dihedral:X-c-c1-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c-cg-X fourier 1 0.0 2 180.0    # same as X-c-c1-X
    dihedral_coeff @dihedral:X-c-ch-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c-c2-X fourier 1 2.175 2 180.0    # intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-c-cu-X fourier 1 2.175 2 180.0    # intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-c-cv-X fourier 1 2.175 2 180.0    # intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-c-ce-X fourier 1 2.175 2 180.0    # intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-c-cf-X fourier 1 2.175 2 180.0    # intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-c-c3-X fourier 1 0.0 2 180.0    # JCC, 7, (1986), 230
    dihedral_coeff @dihedral:X-c-cx-X fourier 1 0.0 2 180.0    # JCC, 7, (1986), 230
    dihedral_coeff @dihedral:X-c-cy-X fourier 1 0.0 2 180.0    # JCC, 7, (1986), 230
    dihedral_coeff @dihedral:X-c-ca-X fourier 1 1.0 2 180.0    # optimized by Junmei Wang, Jan-2013
    dihedral_coeff @dihedral:X-c-cc-X fourier 1 2.875 2 180.0    # statistic value
    dihedral_coeff @dihedral:X-c-cd-X fourier 1 2.875 2 180.0    # statistic value
    dihedral_coeff @dihedral:X-c-n-X fourier 1 2.5 2 180.0    # AA,NMA (no c-n3, c-n4, c-nh)
    dihedral_coeff @dihedral:X-c-n2-X fourier 1 4.15 2 180.0    # double bond, same as X-c2-n2-X
    dihedral_coeff @dihedral:X-c-nc-X fourier 1 4.0 2 180.0    # same as X-C-NC-X
    dihedral_coeff @dihedral:X-c-nd-X fourier 1 4.0 2 180.0    # same as X-C-NC-X
    dihedral_coeff @dihedral:X-c-ne-X fourier 1 0.2 2 180.0    # single bond
    dihedral_coeff @dihedral:X-c-nf-X fourier 1 0.2 2 180.0    # single bond
    dihedral_coeff @dihedral:X-c-na-X fourier 2 1.45 2 180.0 0.35 4 180.0    # 
    dihedral_coeff @dihedral:X-c-no-X fourier 1 0.45 2 180.0    # 
    dihedral_coeff @dihedral:X-c-oh-X fourier 1 2.3 2 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:X-c-os-X fourier 1 2.7 2 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:X-c-p2-X fourier 1 6.65 2 180.0    # double bond, same as X-c2-p2-X
    dihedral_coeff @dihedral:X-c-pc-X fourier 1 2.0 2 180.0    # estimated
    dihedral_coeff @dihedral:X-c-pd-X fourier 1 2.0 2 180.0    # estimated
    dihedral_coeff @dihedral:X-c-pe-X fourier 1 0.0 2 180.0    # single bond
    dihedral_coeff @dihedral:X-c-pf-X fourier 1 0.0 2 180.0    # single bond
    dihedral_coeff @dihedral:X-c-p3-X fourier 1 1.55 2 180.0    # 
    dihedral_coeff @dihedral:X-c-p4-X fourier 1 1.35 2 180.0    # 
    dihedral_coeff @dihedral:X-c-px-X fourier 1 1.35 2 180.0    # 
    dihedral_coeff @dihedral:X-c-p5-X fourier 1 1.0 2 0.0    # 
    dihedral_coeff @dihedral:X-c-py-X fourier 1 1.0 2 0.0    # 
    dihedral_coeff @dihedral:X-c-sh-X fourier 1 2.25 2 180.0    # 
    dihedral_coeff @dihedral:X-c-ss-X fourier 1 3.1 2 180.0    # 
    dihedral_coeff @dihedral:X-c-s4-X fourier 1 0.2 2 180.0    # 
    dihedral_coeff @dihedral:X-c-sx-X fourier 1 0.2 2 180.0    # 
    dihedral_coeff @dihedral:X-c-s6-X fourier 1 0.5 2 0.0    # 
    dihedral_coeff @dihedral:X-c-sy-X fourier 1 0.5 2 0.0    # 
    dihedral_coeff @dihedral:X-c1-c1-X fourier 1 0.0 2 180.0    # for both triple and single bonds
    dihedral_coeff @dihedral:X-c1-cg-X fourier 1 0.0 2 180.0    # for both triple and single bonds
    dihedral_coeff @dihedral:X-c1-ch-X fourier 1 0.0 2 180.0    # for both triple and single bonds
    dihedral_coeff @dihedral:X-cg-cg-X fourier 1 0.0 2 180.0    # for both triple and single bonds
    dihedral_coeff @dihedral:X-ch-ch-X fourier 1 0.0 2 180.0    # for both triple and single bonds
    dihedral_coeff @dihedral:X-cg-ch-X fourier 1 0.0 2 180.0    # for both triple and single bonds
    dihedral_coeff @dihedral:X-c1-c2-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-c3-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-ca-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-cc-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-cd-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-ce-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-cf-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-cu-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-cv-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-cx-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-cy-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-n-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-n2-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-n3-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-n4-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-na-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-nb-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-nc-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-nd-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-ne-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-nf-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-nh-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-no-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-oh-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-os-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-p2-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-pb-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-pc-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-pd-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-pe-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-pf-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-p3-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-p4-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-px-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-p5-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-py-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-s2-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-sh-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-ss-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-s4-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-sx-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-s6-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c1-sy-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-c2-c2-X fourier 1 6.65 2 180.0    # c2=c2 double bond, intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-c2-ce-X fourier 1 6.65 2 180.0    # c2=c2 double bond, intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-c2-cf-X fourier 1 6.65 2 180.0    # c2=c2 double bond, intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-ce-cf-X fourier 1 6.65 2 180.0    # c2=c2 double bond, intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-ce-ce-X fourier 1 1.0 2 180.0    # c2-c2 single bond, parm99
    dihedral_coeff @dihedral:X-cf-cf-X fourier 1 1.0 2 180.0    # c2-c2 single bond, parm99
    dihedral_coeff @dihedral:X-cc-cd-X fourier 1 4.0 2 180.0    # statistic value of parm94
    dihedral_coeff @dihedral:X-cc-cc-X fourier 1 4.0 2 180.0    # statistic value of parm94
    dihedral_coeff @dihedral:X-cd-cd-X fourier 1 4.0 2 180.0    # statistic value of parm94
    dihedral_coeff @dihedral:X-c2-c3-X fourier 1 0.0 2 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c2-ca-X fourier 1 0.7 2 180.0    # optimized by Junmei Wang, March 2013
    dihedral_coeff @dihedral:X-c2-n-X fourier 1 0.65 2 180.0    # 
    dihedral_coeff @dihedral:X-c2-n2-X fourier 1 4.15 2 180.0    # double bond, parm99
    dihedral_coeff @dihedral:X-c2-ne-X fourier 1 4.15 2 180.0    # double bond, parm99
    dihedral_coeff @dihedral:X-c2-nf-X fourier 1 4.15 2 180.0    # double bond, parm99
    dihedral_coeff @dihedral:X-ce-ne-X fourier 1 0.8 2 180.0    # single bond
    dihedral_coeff @dihedral:X-cf-nf-X fourier 1 0.8 2 180.0    # single bond
    dihedral_coeff @dihedral:X-c2-nc-X fourier 1 4.75 2 180.0    # statistic value from parm94
    dihedral_coeff @dihedral:X-c2-nd-X fourier 1 4.75 2 180.0    # statistic value from parm94
    dihedral_coeff @dihedral:X-cc-nd-X fourier 1 4.75 2 180.0    # statistic value from parm94
    dihedral_coeff @dihedral:X-cd-nc-X fourier 1 4.75 2 180.0    # statistiv value from parm94
    dihedral_coeff @dihedral:X-cc-nc-X fourier 1 4.75 2 180.0    # statistic value from parm94
    dihedral_coeff @dihedral:X-cd-nd-X fourier 1 4.75 2 180.0    # statistiv value from parm94
    dihedral_coeff @dihedral:X-c2-n3-X fourier 1 0.3 2 180.0    # intrpol.
    dihedral_coeff @dihedral:X-c2-n4-X fourier 1 0.0 3 180.0    # intrpol.
    dihedral_coeff @dihedral:X-c2-na-X fourier 1 0.625 2 180.0    # 
    dihedral_coeff @dihedral:X-cc-na-X fourier 1 1.7 2 180.0    # statistic value from parm94
    dihedral_coeff @dihedral:X-cd-na-X fourier 1 1.7 2 180.0    # statistic value from parm94
    dihedral_coeff @dihedral:X-c2-nh-X fourier 1 0.675 2 180.0    # 
    dihedral_coeff @dihedral:X-c2-no-X fourier 1 0.75 2 180.0    # 
    dihedral_coeff @dihedral:X-c2-oh-X fourier 1 1.05 2 180.0    # parm99
    dihedral_coeff @dihedral:X-c2-os-X fourier 1 1.05 2 180.0    # parm99
    dihedral_coeff @dihedral:X-c2-p2-X fourier 1 6.65 2 180.0    # double bond
    dihedral_coeff @dihedral:X-c2-pe-X fourier 1 6.65 2 180.0    # double bond
    dihedral_coeff @dihedral:X-c2-pf-X fourier 1 6.65 2 180.0    # double bond
    dihedral_coeff @dihedral:X-ce-pf-X fourier 1 6.65 2 180.0    # double bond
    dihedral_coeff @dihedral:X-ce-pe-X fourier 1 0.95 2 180.0    # single bond
    dihedral_coeff @dihedral:X-cf-pf-X fourier 1 0.95 2 180.0    # single bond
    dihedral_coeff @dihedral:X-c2-pc-X fourier 1 4.75 2 180.0    # estimated
    dihedral_coeff @dihedral:X-c2-pd-X fourier 1 4.75 2 180.0    # estimated
    dihedral_coeff @dihedral:X-cc-pc-X fourier 1 4.75 2 180.0    # estimated
    dihedral_coeff @dihedral:X-cc-pd-X fourier 1 4.75 2 180.0    # estimated
    dihedral_coeff @dihedral:X-cd-pc-X fourier 1 4.75 2 180.0    # estimated
    dihedral_coeff @dihedral:X-cd-pd-X fourier 1 4.75 2 180.0    # estimated
    dihedral_coeff @dihedral:X-c2-p3-X fourier 1 0.45 2 180.0    # 
    dihedral_coeff @dihedral:X-c2-p4-X fourier 1 6.65 2 180.0    # c2=p4 double bond !!!
    dihedral_coeff @dihedral:X-ce-p4-X fourier 1 6.65 2 180.0    # c2=p4 double bond !!!
    dihedral_coeff @dihedral:X-cf-p4-X fourier 1 6.65 2 180.0    # c2=p4 double bond !!!
    dihedral_coeff @dihedral:X-c2-px-X fourier 1 0.325 2 0.0    # 
    dihedral_coeff @dihedral:X-ce-px-X fourier 1 0.325 2 0.0    # 
    dihedral_coeff @dihedral:X-cf-px-X fourier 1 0.325 2 0.0    # 
    dihedral_coeff @dihedral:X-c2-p5-X fourier 1 6.65 2 180.0    # c2=p5 double bond !!!
    dihedral_coeff @dihedral:X-ce-p5-X fourier 1 6.65 2 180.0    # c2=p5 double bond !!!
    dihedral_coeff @dihedral:X-cf-p5-X fourier 1 6.65 2 180.0    # c2=p5 double bond !!!
    dihedral_coeff @dihedral:X-c2-py-X fourier 1 1.43333333333 2 180.0    # 
    dihedral_coeff @dihedral:X-ce-py-X fourier 1 1.43333333333 2 180.0    # 
    dihedral_coeff @dihedral:X-cf-py-X fourier 1 1.43333333333 2 180.0    # 
    dihedral_coeff @dihedral:X-c2-sh-X fourier 1 0.5 2 180.0    # 
    dihedral_coeff @dihedral:X-c2-ss-X fourier 1 1.1 2 180.0    # 
    dihedral_coeff @dihedral:X-c2-s4-X fourier 1 6.65 2 180.0    # c2=s4 double bond !!!
    dihedral_coeff @dihedral:X-ce-s4-X fourier 1 6.65 2 180.0    # c2=s4 double bond !!!
    dihedral_coeff @dihedral:X-cf-s4-X fourier 1 6.65 2 180.0    # c2=s4 double bond !!!
    dihedral_coeff @dihedral:X-c2-sx-X fourier 1 0.6 2 0.0    # 
    dihedral_coeff @dihedral:X-ce-sx-X fourier 1 0.6 2 0.0    # 
    dihedral_coeff @dihedral:X-cf-sx-X fourier 1 0.6 2 0.0    # 
    dihedral_coeff @dihedral:X-c2-s6-X fourier 1 6.65 2 180.0    # c2=s6 double bond !!!
    dihedral_coeff @dihedral:X-ce-s6-X fourier 1 6.65 2 180.0    # c2=s6 double bond !!!
    dihedral_coeff @dihedral:X-cf-s6-X fourier 1 6.65 2 180.0    # c2=s6 double bond !!!
    dihedral_coeff @dihedral:X-c2-sy-X fourier 1 1.26666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-ce-sy-X fourier 1 1.26666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-cf-sy-X fourier 1 1.26666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-c3-c3-X fourier 1 0.155555555556 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-cx-cx-X fourier 1 0.155555555556 3 0.0    # same as X-c3-c3-X
    dihedral_coeff @dihedral:X-cy-cy-X fourier 1 0.155555555556 3 0.0    # same as X-c3-c3-X
    dihedral_coeff @dihedral:X-c3-ca-X fourier 1 0.0 2 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-n-X fourier 1 0.0 2 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-cx-n-X fourier 1 0.0 2 0.0    # same as X-c3-n-X
    dihedral_coeff @dihedral:X-cy-n-X fourier 1 0.0 2 0.0    # same as X-c3-n-X
    dihedral_coeff @dihedral:X-c3-n2-X fourier 1 0.0 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-ne-X fourier 1 0.0 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-nf-X fourier 1 0.0 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-n3-X fourier 1 0.3 3 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:X-c3-n4-X fourier 1 0.155555555556 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-na-X fourier 1 0.0 2 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-nh-X fourier 1 0.0 2 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-no-X fourier 1 0.0 2 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-oh-X fourier 1 0.166666666667 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-os-X fourier 1 0.383333333333 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-p2-X fourier 1 0.266666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-c3-pe-X fourier 1 0.266666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-c3-pf-X fourier 1 0.266666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-c3-p3-X fourier 1 0.133333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-p4-X fourier 1 0.133333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-px-X fourier 1 0.133333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-p5-X fourier 1 0.0222222222222 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-py-X fourier 1 0.0222222222222 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-sh-X fourier 1 0.25 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-ss-X fourier 1 0.333333333333 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:X-c3-s4-X fourier 1 0.2 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-sx-X fourier 1 0.2 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-s6-X fourier 1 0.144444444444 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-sy-X fourier 1 0.144444444444 3 0.0    # 
    dihedral_coeff @dihedral:X-c3-cc-X fourier 1 0.0 3 0.0    # same as X-c3-ca-X
    dihedral_coeff @dihedral:X-c3-cd-X fourier 1 0.0 3 0.0    # same as X-c3-ca-X
    dihedral_coeff @dihedral:X-ca-ca-X fourier 1 3.625 2 180.0    # intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-ca-cp-X fourier 1 3.625 2 180.0    # intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-ca-cq-X fourier 1 3.625 2 180.0    # intrpol.bsd.on C6H6
    dihedral_coeff @dihedral:X-cp-cp-X fourier 1 1.0 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-cq-cq-X fourier 1 1.0 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-ca-n-X fourier 1 0.45 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-n2-X fourier 1 0.0 3 180.0    # 
    dihedral_coeff @dihedral:X-ca-ne-X fourier 1 0.0 3 180.0    # 
    dihedral_coeff @dihedral:X-ca-nf-X fourier 1 0.0 3 180.0    # 
    dihedral_coeff @dihedral:X-ca-n4-X fourier 1 1.75 2 0.0    # 
    dihedral_coeff @dihedral:X-ca-na-X fourier 1 0.3 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-nb-X fourier 1 4.8 2 180.0    # same as X-CA-NC-X
    dihedral_coeff @dihedral:X-ca-nc-X fourier 1 4.8 2 180.0    # same as X-CA-NC-X
    dihedral_coeff @dihedral:X-ca-nd-X fourier 1 4.8 2 180.0    # same as X-CA-NC-X
    dihedral_coeff @dihedral:X-ca-nh-X fourier 1 1.05 2 180.0    # 
    dihedral_coeff @dihedral:X-cc-nh-X fourier 1 1.05 2 180.0    # same as X-ca-nh-X
    dihedral_coeff @dihedral:X-cd-nh-X fourier 1 1.05 2 180.0    # same as X-ca-nh-X
    dihedral_coeff @dihedral:X-ca-no-X fourier 1 0.6 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-oh-X fourier 1 0.9 2 180.0    # Junmei et al, 99
    dihedral_coeff @dihedral:X-ca-os-X fourier 1 0.9 2 180.0    # same as X-ca-oh-X
    dihedral_coeff @dihedral:X-ca-p2-X fourier 1 0.6 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-pe-X fourier 1 0.6 2 180.0    # same as X-ca-p2-X
    dihedral_coeff @dihedral:X-ca-pf-X fourier 1 0.6 2 180.0    # same as X-ca-p2-X
    dihedral_coeff @dihedral:X-ca-pc-X fourier 1 4.8 2 180.0    # estimated, intrpol
    dihedral_coeff @dihedral:X-ca-pd-X fourier 1 4.8 2 180.0    # estimated, intrpol
    dihedral_coeff @dihedral:X-ca-p3-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-p4-X fourier 1 0.525 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-px-X fourier 1 0.525 2 180.0    # estimated, same as X-ca-p4-X
    dihedral_coeff @dihedral:X-ca-p5-X fourier 1 1.46666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-py-X fourier 1 1.46666666667 2 180.0    # estimated, same as X-ca-p5-X
    dihedral_coeff @dihedral:X-ca-sh-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-ss-X fourier 1 0.4 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-s4-X fourier 1 0.3 2 0.0    # 
    dihedral_coeff @dihedral:X-ca-sx-X fourier 1 0.3 2 0.0    # estimated, same as X-ca-s4-X
    dihedral_coeff @dihedral:X-ca-s6-X fourier 1 1.3 2 180.0    # 
    dihedral_coeff @dihedral:X-ca-sy-X fourier 1 1.3 2 180.0    # estimated, same as X-ca-s6-X
    dihedral_coeff @dihedral:X-n-cc-X fourier 1 1.65 2 180.0    # statistic value from parm94
    dihedral_coeff @dihedral:X-n-cd-X fourier 1 1.65 2 180.0    # statistic value from parm94
    dihedral_coeff @dihedral:X-n-n-X fourier 1 1.15 2 0.0    # 
    dihedral_coeff @dihedral:X-n-n2-X fourier 1 0.4 2 0.0    # 
    dihedral_coeff @dihedral:X-n-ne-X fourier 1 0.4 2 0.0    # 
    dihedral_coeff @dihedral:X-n-nf-X fourier 1 0.4 2 0.0    # 
    dihedral_coeff @dihedral:X-n-n3-X fourier 1 1.075 2 0.0    # 
    dihedral_coeff @dihedral:X-n-n4-X fourier 1 0.95 2 0.0    # 
    dihedral_coeff @dihedral:X-n-na-X fourier 1 0.7 2 0.0    # 
    dihedral_coeff @dihedral:X-n-nc-X fourier 1 4.8 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n-nd-X fourier 1 4.8 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n-nh-X fourier 1 1.1 2 0.0    # 
    dihedral_coeff @dihedral:X-n-no-X fourier 1 1.375 2 180.0    # 
    dihedral_coeff @dihedral:X-n-oh-X fourier 1 1.5 2 0.0    # 
    dihedral_coeff @dihedral:X-n-os-X fourier 1 1.1 2 0.0    # 
    dihedral_coeff @dihedral:X-n-p2-X fourier 1 1.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n-pe-X fourier 1 1.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n-pf-X fourier 1 4.8 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n-pc-X fourier 1 4.8 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n-pd-X fourier 1 1.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n-p3-X fourier 1 2.25 2 0.0    # 
    dihedral_coeff @dihedral:X-n-p4-X fourier 1 0.325 2 0.0    # 
    dihedral_coeff @dihedral:X-n-px-X fourier 1 0.325 2 0.0    # 
    dihedral_coeff @dihedral:X-n-p5-X fourier 1 2.2 2 180.0    # 
    dihedral_coeff @dihedral:X-n-py-X fourier 1 2.2 2 180.0    # 
    dihedral_coeff @dihedral:X-n-sh-X fourier 1 1.1 2 0.0    # 
    dihedral_coeff @dihedral:X-n-ss-X fourier 1 1.5 2 0.0    # 
    dihedral_coeff @dihedral:X-n-s4-X fourier 1 1.5 3 0.0    # 
    dihedral_coeff @dihedral:X-n-sx-X fourier 1 1.5 3 0.0    # 
    dihedral_coeff @dihedral:X-n-s6-X fourier 1 1.1 2 180.0    # 
    dihedral_coeff @dihedral:X-n-sy-X fourier 1 1.1 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-c2-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-c3-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-ca-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-cc-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-cd-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-ce-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-cf-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-cu-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-cv-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-cx-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-cy-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-n-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-n1-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-n2-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-n3-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-n4-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-na-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-nb-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-nc-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-nd-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-ne-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-nf-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-nh-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-no-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-oh-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-os-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-p2-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-pb-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-pc-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-pd-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-pe-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-pf-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-p3-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-p4-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-px-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-p5-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-py-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-s2-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-sh-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-ss-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-s4-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-sx-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-s6-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n1-sy-X fourier 1 0.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n2-n2-X fourier 2 3.0 2 180.0 2.8 1 0.0    # double bond
    dihedral_coeff @dihedral:X-n2-ne-X fourier 2 3.0 2 180.0 2.8 1 0.0    # double bond
    dihedral_coeff @dihedral:X-n2-nf-X fourier 2 3.0 2 180.0 2.8 1 0.0    # double bond
    dihedral_coeff @dihedral:X-ne-nf-X fourier 2 3.0 2 180.0 2.8 1 0.0    # double bond
    dihedral_coeff @dihedral:X-ne-ne-X fourier 1 1.2 2 180.0    # single bond, intrpol
    dihedral_coeff @dihedral:X-nf-nf-X fourier 1 1.2 2 180.0    # single bond, intrpol
    dihedral_coeff @dihedral:X-nc-nc-X fourier 1 4.0 2 180.0    # estimated, intrpol
    dihedral_coeff @dihedral:X-nd-nd-X fourier 1 4.0 2 180.0    # estimated, intrpol
    dihedral_coeff @dihedral:X-nc-nd-X fourier 1 4.0 2 180.0    # estimated, intrpol
    dihedral_coeff @dihedral:X-n2-nc-X fourier 2 3.0 2 180.0 2.8 1 0.0    # same as X-n2-n2-X
    dihedral_coeff @dihedral:X-n2-nd-X fourier 2 3.0 2 180.0 2.8 1 0.0    # same as X-n2-n2-X
    dihedral_coeff @dihedral:X-n2-n3-X fourier 1 6.1 2 180.0    # 
    dihedral_coeff @dihedral:X-ne-n3-X fourier 1 6.1 2 180.0    # 
    dihedral_coeff @dihedral:X-nf-n3-X fourier 1 6.1 2 180.0    # 
    dihedral_coeff @dihedral:X-n2-n4-X fourier 1 8.0 2 180.0    # 
    dihedral_coeff @dihedral:X-ne-n4-X fourier 1 8.0 2 180.0    # 
    dihedral_coeff @dihedral:X-nf-n4-X fourier 1 8.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n2-na-X fourier 1 1.7 2 180.0    # 
    dihedral_coeff @dihedral:X-ne-na-X fourier 1 1.7 2 180.0    # 
    dihedral_coeff @dihedral:X-nf-na-X fourier 1 1.7 2 180.0    # 
    dihedral_coeff @dihedral:X-na-nc-X fourier 1 4.8 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-na-nd-X fourier 1 4.8 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n2-nh-X fourier 1 2.8 2 180.0    # 
    dihedral_coeff @dihedral:X-ne-nh-X fourier 1 2.8 2 180.0    # 
    dihedral_coeff @dihedral:X-nf-nh-X fourier 1 2.8 2 180.0    # 
    dihedral_coeff @dihedral:X-n2-no-X fourier 1 0.75 2 180.0    # 
    dihedral_coeff @dihedral:X-ne-no-X fourier 1 0.75 2 180.0    # 
    dihedral_coeff @dihedral:X-nf-no-X fourier 1 0.75 2 180.0    # 
    dihedral_coeff @dihedral:X-n2-oh-X fourier 1 3.2 2 180.0    # 
    dihedral_coeff @dihedral:X-ne-oh-X fourier 1 3.2 2 180.0    # 
    dihedral_coeff @dihedral:X-nf-oh-X fourier 1 3.2 2 180.0    # 
    dihedral_coeff @dihedral:X-n2-os-X fourier 1 3.0 2 180.0    # 
    dihedral_coeff @dihedral:X-ne-os-X fourier 1 3.0 2 180.0    # 
    dihedral_coeff @dihedral:X-nf-os-X fourier 1 3.0 2 180.0    # 
    dihedral_coeff @dihedral:X-nc-os-X fourier 1 4.8 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-nc-ss-X fourier 1 4.8 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n2-p2-X fourier 1 5.4 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n2-pe-X fourier 1 5.4 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n2-pf-X fourier 1 5.4 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-ne-pf-X fourier 1 5.4 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n2-pc-X fourier 1 5.4 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-n2-pd-X fourier 1 5.4 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-nc-p2-X fourier 1 5.4 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-nd-p2-X fourier 1 5.4 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-nc-pc-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-nd-pd-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-nd-pc-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-nc-pd-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-ne-pe-X fourier 1 0.6 1 0.0    # single bond
    dihedral_coeff @dihedral:X-nf-pf-X fourier 1 0.6 1 0.0    # single bond
    dihedral_coeff @dihedral:X-n2-p3-X fourier 1 2.1 2 180.0    # 
    dihedral_coeff @dihedral:X-n2-p4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-ne-p4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-nf-p4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-n2-p5-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-ne-p5-X fourier 1 1.0 3 180.0    # 
    dihedral_coeff @dihedral:X-nf-p5-X fourier 1 1.0 3 180.0    # 
    dihedral_coeff @dihedral:X-ne-px-X fourier 1 1.0 3 180.0    # 
    dihedral_coeff @dihedral:X-nf-px-X fourier 1 1.0 3 180.0    # 
    dihedral_coeff @dihedral:X-n2-sh-X fourier 1 2.1 2 180.0    # 
    dihedral_coeff @dihedral:X-ne-sh-X fourier 1 2.1 2 180.0    # 
    dihedral_coeff @dihedral:X-nf-sh-X fourier 1 2.1 2 180.0    # 
    dihedral_coeff @dihedral:X-n2-ss-X fourier 2 2.8 2 180.0 1.3 1 180.0    # 
    dihedral_coeff @dihedral:X-ne-ss-X fourier 2 2.8 2 180.0 1.3 1 180.0    # 
    dihedral_coeff @dihedral:X-nf-ss-X fourier 2 2.8 2 180.0 1.3 1 180.0    # 
    dihedral_coeff @dihedral:X-n2-s4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-ne-sx-X fourier 1 1.5 3 180.0    # 
    dihedral_coeff @dihedral:X-nf-sx-X fourier 1 1.5 3 180.0    # 
    dihedral_coeff @dihedral:X-n2-s6-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-ne-sy-X fourier 2 0.5 3 180.0 6.8 1 180.0    # 
    dihedral_coeff @dihedral:X-nf-sy-X fourier 2 0.5 3 180.0 6.8 1 180.0    # 
    dihedral_coeff @dihedral:X-n3-n3-X fourier 1 2.25 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-n4-X fourier 1 0.25 3 0.0    # 
    dihedral_coeff @dihedral:X-n3-na-X fourier 1 1.6 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-nh-X fourier 1 1.9 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-no-X fourier 1 4.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n3-oh-X fourier 1 2.2 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-os-X fourier 1 1.8 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-p2-X fourier 1 3.2 2 180.0    # 
    dihedral_coeff @dihedral:X-n3-pe-X fourier 1 3.2 2 180.0    # 
    dihedral_coeff @dihedral:X-n3-pf-X fourier 1 3.2 2 180.0    # 
    dihedral_coeff @dihedral:X-n3-p3-X fourier 1 2.35 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-p4-X fourier 1 2.1 2 180.0    # 
    dihedral_coeff @dihedral:X-n3-px-X fourier 1 2.1 2 180.0    # 
    dihedral_coeff @dihedral:X-n3-p5-X fourier 1 3.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n3-py-X fourier 1 3.0 2 180.0    # 
    dihedral_coeff @dihedral:X-n3-sh-X fourier 1 3.1 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-ss-X fourier 1 2.6 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-s4-X fourier 1 3.75 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-sx-X fourier 1 3.75 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-s6-X fourier 1 3.13333333333 2 0.0    # 
    dihedral_coeff @dihedral:X-n3-sy-X fourier 1 3.13333333333 2 0.0    # 
    dihedral_coeff @dihedral:X-n4-n4-X fourier 1 0.188888888889 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-na-X fourier 1 0.233333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-nh-X fourier 1 0.183333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-no-X fourier 1 0.0833333333333 3 180.0    # 
    dihedral_coeff @dihedral:X-n4-oh-X fourier 1 0.333333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-os-X fourier 1 0.566666666667 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-p2-X fourier 1 0.166666666667 3 180.0    # 
    dihedral_coeff @dihedral:X-n4-pe-X fourier 1 0.166666666667 3 180.0    # 
    dihedral_coeff @dihedral:X-n4-pf-X fourier 1 0.166666666667 3 180.0    # 
    dihedral_coeff @dihedral:X-n4-p3-X fourier 1 0.15 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-p4-X fourier 1 0.05 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-px-X fourier 1 0.05 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-p5-X fourier 1 0.0888888888889 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-py-X fourier 1 0.0888888888889 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-sh-X fourier 1 0.666666666667 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-ss-X fourier 1 0.333333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-s4-X fourier 1 0.283333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-sx-X fourier 1 0.283333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-s6-X fourier 1 0.133333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-n4-sy-X fourier 1 0.133333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-na-na-X fourier 1 0.9 2 0.0    # 
    dihedral_coeff @dihedral:X-na-nh-X fourier 1 1.2 2 0.0    # 
    dihedral_coeff @dihedral:X-na-no-X fourier 1 6.0 2 180.0    # 
    dihedral_coeff @dihedral:X-na-oh-X fourier 1 1.0 2 0.0    # 
    dihedral_coeff @dihedral:X-na-os-X fourier 1 0.65 2 0.0    # 
    dihedral_coeff @dihedral:X-na-p2-X fourier 1 1.0 2 180.0    # 
    dihedral_coeff @dihedral:X-na-pe-X fourier 1 1.0 2 180.0    # 
    dihedral_coeff @dihedral:X-na-pf-X fourier 1 1.0 2 180.0    # 
    dihedral_coeff @dihedral:X-na-p3-X fourier 1 1.45 2 0.0    # 
    dihedral_coeff @dihedral:X-na-p4-X fourier 1 1.1 3 0.0    # 
    dihedral_coeff @dihedral:X-na-px-X fourier 1 1.1 3 0.0    # 
    dihedral_coeff @dihedral:X-na-p5-X fourier 1 0.833333333333 2 180.0    # 
    dihedral_coeff @dihedral:X-na-py-X fourier 1 0.833333333333 2 180.0    # 
    dihedral_coeff @dihedral:X-na-sh-X fourier 1 1.8 2 0.0    # 
    dihedral_coeff @dihedral:X-na-ss-X fourier 1 7.8 2 0.0    # 
    dihedral_coeff @dihedral:X-na-s4-X fourier 1 1.05 2 0.0    # 
    dihedral_coeff @dihedral:X-na-sx-X fourier 1 1.05 2 0.0    # 
    dihedral_coeff @dihedral:X-na-s6-X fourier 1 3.66666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-na-sy-X fourier 1 3.66666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-nh-nh-X fourier 1 1.8 3 180.0    # 
    dihedral_coeff @dihedral:X-nh-no-X fourier 1 2.55 2 180.0    # 
    dihedral_coeff @dihedral:X-nh-oh-X fourier 1 1.5 2 0.0    # 
    dihedral_coeff @dihedral:X-nh-os-X fourier 1 1.5 1 0.0    # 
    dihedral_coeff @dihedral:X-nh-p2-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-nh-pe-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-nh-pf-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-nh-p3-X fourier 1 2.35 2 0.0    # 
    dihedral_coeff @dihedral:X-nh-p4-X fourier 1 1.175 3 0.0    # 
    dihedral_coeff @dihedral:X-nh-px-X fourier 1 1.175 3 0.0    # 
    dihedral_coeff @dihedral:X-nh-p5-X fourier 1 0.8 2 0.0    # 
    dihedral_coeff @dihedral:X-nh-py-X fourier 1 0.8 2 0.0    # 
    dihedral_coeff @dihedral:X-nh-sh-X fourier 1 1.6 2 0.0    # 
    dihedral_coeff @dihedral:X-nh-ss-X fourier 1 2.1 2 0.0    # 
    dihedral_coeff @dihedral:X-nh-s4-X fourier 2 0.75 2 0.0 0.1 3 180.0    # 
    dihedral_coeff @dihedral:X-nh-sx-X fourier 2 0.75 2 0.0 0.1 3 180.0    # 
    dihedral_coeff @dihedral:X-nh-s6-X fourier 1 0.1 2 180.0    # 
    dihedral_coeff @dihedral:X-nh-sy-X fourier 1 0.1 2 180.0    # 
    dihedral_coeff @dihedral:X-no-no-X fourier 2 0.4 4 180.0 1.8 2 180.0    # 
    dihedral_coeff @dihedral:X-no-oh-X fourier 1 3.9 2 180.0    # 
    dihedral_coeff @dihedral:X-no-os-X fourier 1 3.0 2 180.0    # 
    dihedral_coeff @dihedral:X-no-p2-X fourier 1 0.3 2 180.0    # 
    dihedral_coeff @dihedral:X-no-pe-X fourier 1 0.3 2 180.0    # 
    dihedral_coeff @dihedral:X-no-pf-X fourier 1 0.3 2 180.0    # 
    dihedral_coeff @dihedral:X-no-p3-X fourier 1 1.9 2 180.0    # 
    dihedral_coeff @dihedral:X-no-p4-X fourier 1 0.575 2 180.0    # 
    dihedral_coeff @dihedral:X-no-px-X fourier 1 0.575 2 180.0    # 
    dihedral_coeff @dihedral:X-no-p5-X fourier 2 2.4 2 0.0 0.4 3 0.0    # 
    dihedral_coeff @dihedral:X-no-py-X fourier 2 2.4 2 0.0 0.4 3 0.0    # 
    dihedral_coeff @dihedral:X-no-sh-X fourier 1 2.3 2 180.0    # 
    dihedral_coeff @dihedral:X-no-ss-X fourier 1 2.7 2 180.0    # 
    dihedral_coeff @dihedral:X-no-s4-X fourier 1 2.6 2 180.0    # 
    dihedral_coeff @dihedral:X-no-sx-X fourier 1 2.6 2 180.0    # 
    dihedral_coeff @dihedral:X-no-s6-X fourier 1 0.333333333333 2 0.0    # 
    dihedral_coeff @dihedral:X-no-sy-X fourier 1 0.333333333333 2 0.0    # 
    dihedral_coeff @dihedral:X-oh-oh-X fourier 1 1.6 2 0.0    # 
    dihedral_coeff @dihedral:X-oh-os-X fourier 1 1.6 2 0.0    # 
    dihedral_coeff @dihedral:X-oh-p2-X fourier 1 1.5 2 180.0    # 
    dihedral_coeff @dihedral:X-oh-pe-X fourier 1 1.5 2 180.0    # 
    dihedral_coeff @dihedral:X-oh-pf-X fourier 1 1.5 2 180.0    # 
    dihedral_coeff @dihedral:X-oh-p3-X fourier 1 0.4 3 180.0    # 
    dihedral_coeff @dihedral:X-oh-p4-X fourier 1 0.7 1 0.0    # 
    dihedral_coeff @dihedral:X-oh-px-X fourier 1 0.7 1 0.0    # 
    dihedral_coeff @dihedral:X-oh-p5-X fourier 1 0.533333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-oh-py-X fourier 1 0.533333333333 3 0.0    # 
    dihedral_coeff @dihedral:X-oh-sh-X fourier 1 2.4 2 0.0    # 
    dihedral_coeff @dihedral:X-oh-ss-X fourier 1 2.4 2 0.0    # 
    dihedral_coeff @dihedral:X-oh-s4-X fourier 1 5.0 1 0.0    # 
    dihedral_coeff @dihedral:X-oh-sx-X fourier 1 5.0 1 0.0    # 
    dihedral_coeff @dihedral:X-oh-s6-X fourier 1 9.5 1 180.0    # 
    dihedral_coeff @dihedral:X-oh-sy-X fourier 1 9.5 1 180.0    # 
    dihedral_coeff @dihedral:X-os-os-X fourier 1 1.0 1 0.0    # 
    dihedral_coeff @dihedral:X-os-ss-X fourier 1 2.2 2 0.0    # 
    dihedral_coeff @dihedral:X-os-sh-X fourier 1 1.8 2 0.0    # 
    dihedral_coeff @dihedral:X-os-s4-X fourier 1 1.65 3 0.0    # 
    dihedral_coeff @dihedral:X-os-sx-X fourier 1 1.65 3 0.0    # 
    dihedral_coeff @dihedral:X-os-s6-X fourier 1 1.2 2 180.0    # 
    dihedral_coeff @dihedral:X-os-sy-X fourier 1 1.2 2 180.0    # 
    dihedral_coeff @dihedral:X-os-p2-X fourier 2 3.0 2 180.0 2.0 1 180.0    # 
    dihedral_coeff @dihedral:X-os-pe-X fourier 2 3.0 2 180.0 2.0 1 180.0    # 
    dihedral_coeff @dihedral:X-os-pf-X fourier 2 3.0 2 180.0 2.0 1 180.0    # 
    dihedral_coeff @dihedral:X-os-p3-X fourier 1 2.2 2 0.0    # 
    dihedral_coeff @dihedral:X-os-p4-X fourier 1 1.05 2 180.0    # 
    dihedral_coeff @dihedral:X-os-px-X fourier 1 1.05 2 180.0    # 
    dihedral_coeff @dihedral:X-os-p5-X fourier 1 0.8 2 0.0    # 
    dihedral_coeff @dihedral:X-os-py-X fourier 1 0.8 2 0.0    # 
    dihedral_coeff @dihedral:X-p2-p2-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-p2-pe-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-p2-pf-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-p2-pc-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-p2-pd-X fourier 1 6.6 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-pe-pe-X fourier 1 1.2 2 180.0    # single bond
    dihedral_coeff @dihedral:X-pf-pf-X fourier 1 1.2 2 180.0    # single bond
    dihedral_coeff @dihedral:X-pc-pc-X fourier 1 7.2 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-pd-pd-X fourier 1 7.2 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-pc-pd-X fourier 1 7.2 2 180.0    # estimated, intrpol.
    dihedral_coeff @dihedral:X-p2-p3-X fourier 1 1.2 1 0.0    # 
    dihedral_coeff @dihedral:X-pe-p3-X fourier 1 1.2 1 0.0    # 
    dihedral_coeff @dihedral:X-pf-p3-X fourier 1 1.2 1 0.0    # 
    dihedral_coeff @dihedral:X-p2-p4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-pe-px-X fourier 1 2.45 2 0.0    # 
    dihedral_coeff @dihedral:X-pf-px-X fourier 1 2.45 2 0.0    # 
    dihedral_coeff @dihedral:X-p2-p5-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-pe-py-X fourier 1 1.9 1 0.0    # 
    dihedral_coeff @dihedral:X-pf-py-X fourier 1 1.9 1 0.0    # 
    dihedral_coeff @dihedral:X-p2-sh-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-pe-sh-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-pf-sh-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-p2-ss-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-pe-ss-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-pf-ss-X fourier 1 1.4 2 180.0    # 
    dihedral_coeff @dihedral:X-p2-s4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-pe-sx-X fourier 1 1.5 2 0.0    # 
    dihedral_coeff @dihedral:X-pf-sx-X fourier 1 1.5 2 0.0    # 
    dihedral_coeff @dihedral:X-p2-s6-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-pe-sy-X fourier 1 0.4 3 180.0    # 
    dihedral_coeff @dihedral:X-pf-sy-X fourier 1 0.4 3 180.0    # 
    dihedral_coeff @dihedral:X-p3-p3-X fourier 1 0.5 3 0.0    # 
    dihedral_coeff @dihedral:X-p3-p4-X fourier 1 0.9 1 0.0    # 
    dihedral_coeff @dihedral:X-p3-px-X fourier 1 0.9 1 0.0    # 
    dihedral_coeff @dihedral:X-p3-p5-X fourier 1 1.83333333333 2 180.0    # 
    dihedral_coeff @dihedral:X-p3-py-X fourier 1 1.83333333333 2 180.0    # 
    dihedral_coeff @dihedral:X-p3-sh-X fourier 1 4.6 2 0.0    # 
    dihedral_coeff @dihedral:X-p3-ss-X fourier 1 1.15 3 0.0    # 
    dihedral_coeff @dihedral:X-p3-s4-X fourier 1 3.85 2 0.0    # 
    dihedral_coeff @dihedral:X-p3-sx-X fourier 1 3.85 2 0.0    # 
    dihedral_coeff @dihedral:X-p3-s6-X fourier 1 0.266666666667 3 0.0    # 
    dihedral_coeff @dihedral:X-p3-sy-X fourier 1 0.266666666667 3 0.0    # 
    dihedral_coeff @dihedral:X-p4-p4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-px-px-X fourier 1 1.45 2 180.0    # 
    dihedral_coeff @dihedral:X-p4-p5-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-px-py-X fourier 1 0.316666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-p4-s4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-px-sx-X fourier 1 0.85 1 0.0    # 
    dihedral_coeff @dihedral:X-p4-s6-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-px-sy-X fourier 1 0.116666666667 3 0.0    # 
    dihedral_coeff @dihedral:X-p4-sh-X fourier 1 0.25 1 180.0    # 
    dihedral_coeff @dihedral:X-px-sh-X fourier 1 0.25 1 180.0    # 
    dihedral_coeff @dihedral:X-p4-ss-X fourier 1 0.6 2 180.0    # 
    dihedral_coeff @dihedral:X-px-ss-X fourier 1 0.6 2 180.0    # 
    dihedral_coeff @dihedral:X-p5-p5-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-py-py-X fourier 1 0.6 2 0.0    # 
    dihedral_coeff @dihedral:X-p5-sh-X fourier 1 0.3 3 0.0    # 
    dihedral_coeff @dihedral:X-py-sh-X fourier 1 0.3 3 0.0    # 
    dihedral_coeff @dihedral:X-p5-ss-X fourier 1 3.8 2 180.0    # 
    dihedral_coeff @dihedral:X-py-ss-X fourier 1 3.8 2 180.0    # 
    dihedral_coeff @dihedral:X-p5-s4-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-py-sx-X fourier 1 0.266666666667 3 0.0    # 
    dihedral_coeff @dihedral:X-p5-s6-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-py-sy-X fourier 1 0.277777777778 3 0.0    # 
    dihedral_coeff @dihedral:X-sh-sh-X fourier 1 5.6 3 0.0    # 
    dihedral_coeff @dihedral:X-sh-ss-X fourier 1 5.3 3 0.0    # 
    dihedral_coeff @dihedral:X-sh-s4-X fourier 1 0.7 3 0.0    # 
    dihedral_coeff @dihedral:X-sh-sx-X fourier 1 0.7 3 0.0    # 
    dihedral_coeff @dihedral:X-sh-s6-X fourier 1 4.66666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-sh-sy-X fourier 1 4.66666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-ss-ss-X fourier 1 0.0 3 0.0    # 
    dihedral_coeff @dihedral:X-ss-s4-X fourier 1 0.3 3 0.0    # 
    dihedral_coeff @dihedral:X-ss-sx-X fourier 1 0.3 3 0.0    # 
    dihedral_coeff @dihedral:X-ss-s6-X fourier 1 3.06666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-ss-sy-X fourier 1 3.06666666667 2 180.0    # 
    dihedral_coeff @dihedral:X-s4-s4-X fourier 1 6.65 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-sx-sx-X fourier 1 0.625 3 0.0    # 
    dihedral_coeff @dihedral:X-s4-s6-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-sx-sy-X fourier 1 4.33333333333 2 180.0    # 
    dihedral_coeff @dihedral:X-s6-s6-X fourier 1 6.66666666667 2 180.0    # estimated !!!
    dihedral_coeff @dihedral:X-sy-sy-X fourier 1 0.155555555556 2 180.0    # 
    dihedral_coeff @dihedral:c3-c-sh-hs fourier 2 2.25 2 180.0 1.3 1 180.0    # 
    dihedral_coeff @dihedral:c2-c2-ss-c3 fourier 2 1.1 2 180.0 0.7 3 180.0    # 
    dihedral_coeff @dihedral:c2-c2-n-c fourier 2 0.65 2 180.0 1.2 1 180.0    # 
    dihedral_coeff @dihedral:c-n-p2-c2 fourier 2 1.0 2 180.0 1.9 1 180.0    # 
    dihedral_coeff @dihedral:n-c3-c-n fourier 2 1.7 1 180.0 2.0 2 180.0    # 
    dihedral_coeff @dihedral:c-n-c3-c fourier 2 0.85 2 180.0 0.8 1 0.0    # 
    dihedral_coeff @dihedral:c3-c3-n-c fourier 3 0.5 4 180.0 0.15 3 180.0 0.53 1 0.0    # phi,psi,parm94
    dihedral_coeff @dihedral:c3-c3-c-n fourier 2 0.1 4 0.0 0.07 2 0.0    # phi,psi,parm94
    dihedral_coeff @dihedral:c2-ne-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0    # 
    dihedral_coeff @dihedral:c2-nf-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0    # 
    dihedral_coeff @dihedral:ce-ne-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0    # 
    dihedral_coeff @dihedral:ce-nf-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0    # 
    dihedral_coeff @dihedral:cf-ne-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0    # 
    dihedral_coeff @dihedral:cf-nf-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0    # 
    dihedral_coeff @dihedral:hn-n-c-o fourier 2 2.5 2 180.0 2.0 1 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:c3-ss-ss-c3 fourier 2 3.5 2 0.0 0.6 3 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:c3-n3-nh-ca fourier 2 1.9 2 0.0 1.9 3 0.0    # 
    dihedral_coeff @dihedral:c3-n3-p5-o fourier 2 3.0 2 180.0 2.3 3 0.0    # 
    dihedral_coeff @dihedral:ca-nh-oh-ho fourier 2 1.2 1 0.0 1.5 2 0.0    # 
    dihedral_coeff @dihedral:oh-p5-os-c3 fourier 2 0.25 3 0.0 1.2 2 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:os-p5-os-c3 fourier 2 0.25 3 0.0 1.2 2 0.0    # JCC,7,(1986),230
    dihedral_coeff @dihedral:h1-c3-c-o fourier 2 0.8 1 0.0 0.08 3 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c-o fourier 2 0.8 1 0.0 0.08 3 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c3-hc fourier 1 0.15 3 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c3-c3 fourier 1 0.16 3 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c2-c2 fourier 2 0.38 3 180.0 1.15 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:ho-oh-c3-c3 fourier 2 0.16 3 0.0 0.25 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:ho-oh-c-o fourier 2 2.3 2 180.0 1.9 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:c2-c2-c-o fourier 2 2.175 2 180.0 0.3 3 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:c3-c2-c2-c3 fourier 2 6.65 2 180.0 1.9 1 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:c3-c3-c3-c3 fourier 3 0.18 3 0.0 0.25 2 180.0 0.2 1 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:c3-c3-n3-c3 fourier 2 0.3 3 0.0 0.48 2 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:c3-c3-os-c3 fourier 2 0.383 3 0.0 0.1 2 180.0    # 
    dihedral_coeff @dihedral:c3-c3-os-c fourier 2 0.383 3 0.0 0.8 1 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:c3-os-c3-os fourier 3 0.1 3 0.0 0.85 2 180.0 1.35 1 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:c3-os-c3-na fourier 2 0.383 3 0.0 0.65 2 0.0    # parm98.dat, TC,PC,PAK
    dihedral_coeff @dihedral:o-c-os-c3 fourier 2 2.7 2 180.0 1.4 1 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:os-c3-na-c2 fourier 2 0.0 2 0.0 2.5 1 0.0    # parm98, TC,PC,PAK
    dihedral_coeff @dihedral:os-c3-c3-os fourier 2 0.144 3 0.0 1.175 2 0.0    # parm98, TC,PC,PAK
    dihedral_coeff @dihedral:os-c3-c3-oh fourier 2 0.144 3 0.0 1.175 2 0.0    # parm98, TC,PC,PAK
    dihedral_coeff @dihedral:oh-c3-c3-oh fourier 2 0.144 3 0.0 1.175 2 0.0    # parm98, TC,PC,PAK
    dihedral_coeff @dihedral:f-c3-c3-f fourier 2 0.0 3 0.0 1.2 1 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:cl-c3-c3-cl fourier 2 0.0 3 0.0 0.45 1 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:br-c3-c3-br fourier 2 0.0 3 0.0 0.0 1 180.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:h1-c3-c3-os fourier 2 0.0 3 0.0 0.25 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:h1-c3-c3-oh fourier 2 0.0 3 0.0 0.25 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:h1-c3-c3-f fourier 2 0.0 3 0.0 0.19 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:h1-c3-c3-cl fourier 2 0.0 3 0.0 0.25 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:h1-c3-c3-br fourier 2 0.0 3 0.0 0.55 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c3-os fourier 2 0.0 3 0.0 0.25 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c3-oh fourier 2 0.0 3 0.0 0.25 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c3-f fourier 2 0.0 3 0.0 0.19 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c3-cl fourier 2 0.0 3 0.0 0.25 1 0.0    # Junmei et al, 1999
    dihedral_coeff @dihedral:hc-c3-c3-br fourier 2 0.0 3 0.0 0.55 1 0.0    # Junmei et al, 1999
  } # (end of dihedral_coeffs)

  write_once("Data Dihedrals By Type") {
    @dihedral:X-c-c-X @atom:* @atom:c @atom:c @atom:*
    @dihedral:X-c-c1-X @atom:* @atom:c @atom:c1 @atom:*
    @dihedral:X-c-cg-X @atom:* @atom:c @atom:cg @atom:*
    @dihedral:X-c-ch-X @atom:* @atom:c @atom:ch @atom:*
    @dihedral:X-c-c2-X @atom:* @atom:c @atom:c2 @atom:*
    @dihedral:X-c-cu-X @atom:* @atom:c @atom:cu @atom:*
    @dihedral:X-c-cv-X @atom:* @atom:c @atom:cv @atom:*
    @dihedral:X-c-ce-X @atom:* @atom:c @atom:ce @atom:*
    @dihedral:X-c-cf-X @atom:* @atom:c @atom:cf @atom:*
    @dihedral:X-c-c3-X @atom:* @atom:c @atom:c3 @atom:*
    @dihedral:X-c-cx-X @atom:* @atom:c @atom:cx @atom:*
    @dihedral:X-c-cy-X @atom:* @atom:c @atom:cy @atom:*
    @dihedral:X-c-ca-X @atom:* @atom:c @atom:ca @atom:*
    @dihedral:X-c-cc-X @atom:* @atom:c @atom:cc @atom:*
    @dihedral:X-c-cd-X @atom:* @atom:c @atom:cd @atom:*
    @dihedral:X-c-n-X @atom:* @atom:c @atom:n @atom:*
    @dihedral:X-c-n2-X @atom:* @atom:c @atom:n2 @atom:*
    @dihedral:X-c-nc-X @atom:* @atom:c @atom:nc @atom:*
    @dihedral:X-c-nd-X @atom:* @atom:c @atom:nd @atom:*
    @dihedral:X-c-ne-X @atom:* @atom:c @atom:ne @atom:*
    @dihedral:X-c-nf-X @atom:* @atom:c @atom:nf @atom:*
    @dihedral:X-c-na-X @atom:* @atom:c @atom:na @atom:*
    @dihedral:X-c-na-X @atom:* @atom:c @atom:na @atom:*
    @dihedral:X-c-no-X @atom:* @atom:c @atom:no @atom:*
    @dihedral:X-c-oh-X @atom:* @atom:c @atom:oh @atom:*
    @dihedral:X-c-os-X @atom:* @atom:c @atom:os @atom:*
    @dihedral:X-c-p2-X @atom:* @atom:c @atom:p2 @atom:*
    @dihedral:X-c-pc-X @atom:* @atom:c @atom:pc @atom:*
    @dihedral:X-c-pd-X @atom:* @atom:c @atom:pd @atom:*
    @dihedral:X-c-pe-X @atom:* @atom:c @atom:pe @atom:*
    @dihedral:X-c-pf-X @atom:* @atom:c @atom:pf @atom:*
    @dihedral:X-c-p3-X @atom:* @atom:c @atom:p3 @atom:*
    @dihedral:X-c-p4-X @atom:* @atom:c @atom:p4 @atom:*
    @dihedral:X-c-px-X @atom:* @atom:c @atom:px @atom:*
    @dihedral:X-c-p5-X @atom:* @atom:c @atom:p5 @atom:*
    @dihedral:X-c-py-X @atom:* @atom:c @atom:py @atom:*
    @dihedral:X-c-sh-X @atom:* @atom:c @atom:sh @atom:*
    @dihedral:X-c-ss-X @atom:* @atom:c @atom:ss @atom:*
    @dihedral:X-c-s4-X @atom:* @atom:c @atom:s4 @atom:*
    @dihedral:X-c-sx-X @atom:* @atom:c @atom:sx @atom:*
    @dihedral:X-c-s6-X @atom:* @atom:c @atom:s6 @atom:*
    @dihedral:X-c-sy-X @atom:* @atom:c @atom:sy @atom:*
    @dihedral:X-c1-c1-X @atom:* @atom:c1 @atom:c1 @atom:*
    @dihedral:X-c1-cg-X @atom:* @atom:c1 @atom:cg @atom:*
    @dihedral:X-c1-ch-X @atom:* @atom:c1 @atom:ch @atom:*
    @dihedral:X-cg-cg-X @atom:* @atom:cg @atom:cg @atom:*
    @dihedral:X-ch-ch-X @atom:* @atom:ch @atom:ch @atom:*
    @dihedral:X-cg-ch-X @atom:* @atom:cg @atom:ch @atom:*
    @dihedral:X-c1-c2-X @atom:* @atom:c1 @atom:c2 @atom:*
    @dihedral:X-c1-c3-X @atom:* @atom:c1 @atom:c3 @atom:*
    @dihedral:X-c1-ca-X @atom:* @atom:c1 @atom:ca @atom:*
    @dihedral:X-c1-cc-X @atom:* @atom:c1 @atom:cc @atom:*
    @dihedral:X-c1-cd-X @atom:* @atom:c1 @atom:cd @atom:*
    @dihedral:X-c1-ce-X @atom:* @atom:c1 @atom:ce @atom:*
    @dihedral:X-c1-cf-X @atom:* @atom:c1 @atom:cf @atom:*
    @dihedral:X-c1-cu-X @atom:* @atom:c1 @atom:cu @atom:*
    @dihedral:X-c1-cv-X @atom:* @atom:c1 @atom:cv @atom:*
    @dihedral:X-c1-cx-X @atom:* @atom:c1 @atom:cx @atom:*
    @dihedral:X-c1-cy-X @atom:* @atom:c1 @atom:cy @atom:*
    @dihedral:X-c1-n-X @atom:* @atom:c1 @atom:n @atom:*
    @dihedral:X-c1-n2-X @atom:* @atom:c1 @atom:n2 @atom:*
    @dihedral:X-c1-n3-X @atom:* @atom:c1 @atom:n3 @atom:*
    @dihedral:X-c1-n4-X @atom:* @atom:c1 @atom:n4 @atom:*
    @dihedral:X-c1-na-X @atom:* @atom:c1 @atom:na @atom:*
    @dihedral:X-c1-nb-X @atom:* @atom:c1 @atom:nb @atom:*
    @dihedral:X-c1-nc-X @atom:* @atom:c1 @atom:nc @atom:*
    @dihedral:X-c1-nd-X @atom:* @atom:c1 @atom:nd @atom:*
    @dihedral:X-c1-ne-X @atom:* @atom:c1 @atom:ne @atom:*
    @dihedral:X-c1-nf-X @atom:* @atom:c1 @atom:nf @atom:*
    @dihedral:X-c1-nh-X @atom:* @atom:c1 @atom:nh @atom:*
    @dihedral:X-c1-no-X @atom:* @atom:c1 @atom:no @atom:*
    @dihedral:X-c1-oh-X @atom:* @atom:c1 @atom:oh @atom:*
    @dihedral:X-c1-os-X @atom:* @atom:c1 @atom:os @atom:*
    @dihedral:X-c1-p2-X @atom:* @atom:c1 @atom:p2 @atom:*
    @dihedral:X-c1-pb-X @atom:* @atom:c1 @atom:pb @atom:*
    @dihedral:X-c1-pc-X @atom:* @atom:c1 @atom:pc @atom:*
    @dihedral:X-c1-pd-X @atom:* @atom:c1 @atom:pd @atom:*
    @dihedral:X-c1-pe-X @atom:* @atom:c1 @atom:pe @atom:*
    @dihedral:X-c1-pf-X @atom:* @atom:c1 @atom:pf @atom:*
    @dihedral:X-c1-p3-X @atom:* @atom:c1 @atom:p3 @atom:*
    @dihedral:X-c1-p4-X @atom:* @atom:c1 @atom:p4 @atom:*
    @dihedral:X-c1-px-X @atom:* @atom:c1 @atom:px @atom:*
    @dihedral:X-c1-p5-X @atom:* @atom:c1 @atom:p5 @atom:*
    @dihedral:X-c1-py-X @atom:* @atom:c1 @atom:py @atom:*
    @dihedral:X-c1-s2-X @atom:* @atom:c1 @atom:s2 @atom:*
    @dihedral:X-c1-sh-X @atom:* @atom:c1 @atom:sh @atom:*
    @dihedral:X-c1-ss-X @atom:* @atom:c1 @atom:ss @atom:*
    @dihedral:X-c1-s4-X @atom:* @atom:c1 @atom:s4 @atom:*
    @dihedral:X-c1-sx-X @atom:* @atom:c1 @atom:sx @atom:*
    @dihedral:X-c1-s6-X @atom:* @atom:c1 @atom:s6 @atom:*
    @dihedral:X-c1-sy-X @atom:* @atom:c1 @atom:sy @atom:*
    @dihedral:X-c2-c2-X @atom:* @atom:c2 @atom:c2 @atom:*
    @dihedral:X-c2-ce-X @atom:* @atom:c2 @atom:ce @atom:*
    @dihedral:X-c2-cf-X @atom:* @atom:c2 @atom:cf @atom:*
    @dihedral:X-ce-cf-X @atom:* @atom:ce @atom:cf @atom:*
    @dihedral:X-ce-ce-X @atom:* @atom:ce @atom:ce @atom:*
    @dihedral:X-cf-cf-X @atom:* @atom:cf @atom:cf @atom:*
    @dihedral:X-cc-cd-X @atom:* @atom:cc @atom:cd @atom:*
    @dihedral:X-cc-cc-X @atom:* @atom:cc @atom:cc @atom:*
    @dihedral:X-cd-cd-X @atom:* @atom:cd @atom:cd @atom:*
    @dihedral:X-c2-c3-X @atom:* @atom:c2 @atom:c3 @atom:*
    @dihedral:X-c2-ca-X @atom:* @atom:c2 @atom:ca @atom:*
    @dihedral:X-c2-n-X @atom:* @atom:c2 @atom:n @atom:*
    @dihedral:X-c2-n2-X @atom:* @atom:c2 @atom:n2 @atom:*
    @dihedral:X-c2-ne-X @atom:* @atom:c2 @atom:ne @atom:*
    @dihedral:X-c2-nf-X @atom:* @atom:c2 @atom:nf @atom:*
    @dihedral:X-ce-ne-X @atom:* @atom:ce @atom:ne @atom:*
    @dihedral:X-cf-nf-X @atom:* @atom:cf @atom:nf @atom:*
    @dihedral:X-c2-nc-X @atom:* @atom:c2 @atom:nc @atom:*
    @dihedral:X-c2-nd-X @atom:* @atom:c2 @atom:nd @atom:*
    @dihedral:X-cc-nd-X @atom:* @atom:cc @atom:nd @atom:*
    @dihedral:X-cd-nc-X @atom:* @atom:cd @atom:nc @atom:*
    @dihedral:X-cc-nc-X @atom:* @atom:cc @atom:nc @atom:*
    @dihedral:X-cd-nd-X @atom:* @atom:cd @atom:nd @atom:*
    @dihedral:X-c2-n3-X @atom:* @atom:c2 @atom:n3 @atom:*
    @dihedral:X-c2-n4-X @atom:* @atom:c2 @atom:n4 @atom:*
    @dihedral:X-c2-na-X @atom:* @atom:c2 @atom:na @atom:*
    @dihedral:X-cc-na-X @atom:* @atom:cc @atom:na @atom:*
    @dihedral:X-cd-na-X @atom:* @atom:cd @atom:na @atom:*
    @dihedral:X-c2-nh-X @atom:* @atom:c2 @atom:nh @atom:*
    @dihedral:X-c2-no-X @atom:* @atom:c2 @atom:no @atom:*
    @dihedral:X-c2-oh-X @atom:* @atom:c2 @atom:oh @atom:*
    @dihedral:X-c2-os-X @atom:* @atom:c2 @atom:os @atom:*
    @dihedral:X-c2-p2-X @atom:* @atom:c2 @atom:p2 @atom:*
    @dihedral:X-c2-pe-X @atom:* @atom:c2 @atom:pe @atom:*
    @dihedral:X-c2-pf-X @atom:* @atom:c2 @atom:pf @atom:*
    @dihedral:X-ce-pf-X @atom:* @atom:ce @atom:pf @atom:*
    @dihedral:X-ce-pe-X @atom:* @atom:ce @atom:pe @atom:*
    @dihedral:X-cf-pf-X @atom:* @atom:cf @atom:pf @atom:*
    @dihedral:X-c2-pc-X @atom:* @atom:c2 @atom:pc @atom:*
    @dihedral:X-c2-pd-X @atom:* @atom:c2 @atom:pd @atom:*
    @dihedral:X-cc-pc-X @atom:* @atom:cc @atom:pc @atom:*
    @dihedral:X-cc-pd-X @atom:* @atom:cc @atom:pd @atom:*
    @dihedral:X-cd-pc-X @atom:* @atom:cd @atom:pc @atom:*
    @dihedral:X-cd-pd-X @atom:* @atom:cd @atom:pd @atom:*
    @dihedral:X-c2-p3-X @atom:* @atom:c2 @atom:p3 @atom:*
    @dihedral:X-c2-p4-X @atom:* @atom:c2 @atom:p4 @atom:*
    @dihedral:X-ce-p4-X @atom:* @atom:ce @atom:p4 @atom:*
    @dihedral:X-cf-p4-X @atom:* @atom:cf @atom:p4 @atom:*
    @dihedral:X-c2-px-X @atom:* @atom:c2 @atom:px @atom:*
    @dihedral:X-ce-px-X @atom:* @atom:ce @atom:px @atom:*
    @dihedral:X-cf-px-X @atom:* @atom:cf @atom:px @atom:*
    @dihedral:X-c2-p5-X @atom:* @atom:c2 @atom:p5 @atom:*
    @dihedral:X-ce-p5-X @atom:* @atom:ce @atom:p5 @atom:*
    @dihedral:X-cf-p5-X @atom:* @atom:cf @atom:p5 @atom:*
    @dihedral:X-c2-py-X @atom:* @atom:c2 @atom:py @atom:*
    @dihedral:X-ce-py-X @atom:* @atom:ce @atom:py @atom:*
    @dihedral:X-cf-py-X @atom:* @atom:cf @atom:py @atom:*
    @dihedral:X-c2-sh-X @atom:* @atom:c2 @atom:sh @atom:*
    @dihedral:X-c2-ss-X @atom:* @atom:c2 @atom:ss @atom:*
    @dihedral:X-c2-s4-X @atom:* @atom:c2 @atom:s4 @atom:*
    @dihedral:X-ce-s4-X @atom:* @atom:ce @atom:s4 @atom:*
    @dihedral:X-cf-s4-X @atom:* @atom:cf @atom:s4 @atom:*
    @dihedral:X-c2-sx-X @atom:* @atom:c2 @atom:sx @atom:*
    @dihedral:X-ce-sx-X @atom:* @atom:ce @atom:sx @atom:*
    @dihedral:X-cf-sx-X @atom:* @atom:cf @atom:sx @atom:*
    @dihedral:X-c2-s6-X @atom:* @atom:c2 @atom:s6 @atom:*
    @dihedral:X-ce-s6-X @atom:* @atom:ce @atom:s6 @atom:*
    @dihedral:X-cf-s6-X @atom:* @atom:cf @atom:s6 @atom:*
    @dihedral:X-c2-sy-X @atom:* @atom:c2 @atom:sy @atom:*
    @dihedral:X-ce-sy-X @atom:* @atom:ce @atom:sy @atom:*
    @dihedral:X-cf-sy-X @atom:* @atom:cf @atom:sy @atom:*
    @dihedral:X-c3-c3-X @atom:* @atom:c3 @atom:c3 @atom:*
    @dihedral:X-cx-cx-X @atom:* @atom:cx @atom:cx @atom:*
    @dihedral:X-cy-cy-X @atom:* @atom:cy @atom:cy @atom:*
    @dihedral:X-c3-ca-X @atom:* @atom:c3 @atom:ca @atom:*
    @dihedral:X-c3-n-X @atom:* @atom:c3 @atom:n @atom:*
    @dihedral:X-cx-n-X @atom:* @atom:cx @atom:n @atom:*
    @dihedral:X-cy-n-X @atom:* @atom:cy @atom:n @atom:*
    @dihedral:X-c3-n2-X @atom:* @atom:c3 @atom:n2 @atom:*
    @dihedral:X-c3-ne-X @atom:* @atom:c3 @atom:ne @atom:*
    @dihedral:X-c3-nf-X @atom:* @atom:c3 @atom:nf @atom:*
    @dihedral:X-c3-n3-X @atom:* @atom:c3 @atom:n3 @atom:*
    @dihedral:X-c3-n4-X @atom:* @atom:c3 @atom:n4 @atom:*
    @dihedral:X-c3-na-X @atom:* @atom:c3 @atom:na @atom:*
    @dihedral:X-c3-nh-X @atom:* @atom:c3 @atom:nh @atom:*
    @dihedral:X-c3-no-X @atom:* @atom:c3 @atom:no @atom:*
    @dihedral:X-c3-oh-X @atom:* @atom:c3 @atom:oh @atom:*
    @dihedral:X-c3-os-X @atom:* @atom:c3 @atom:os @atom:*
    @dihedral:X-c3-p2-X @atom:* @atom:c3 @atom:p2 @atom:*
    @dihedral:X-c3-pe-X @atom:* @atom:c3 @atom:pe @atom:*
    @dihedral:X-c3-pf-X @atom:* @atom:c3 @atom:pf @atom:*
    @dihedral:X-c3-p3-X @atom:* @atom:c3 @atom:p3 @atom:*
    @dihedral:X-c3-p4-X @atom:* @atom:c3 @atom:p4 @atom:*
    @dihedral:X-c3-px-X @atom:* @atom:c3 @atom:px @atom:*
    @dihedral:X-c3-p5-X @atom:* @atom:c3 @atom:p5 @atom:*
    @dihedral:X-c3-py-X @atom:* @atom:c3 @atom:py @atom:*
    @dihedral:X-c3-sh-X @atom:* @atom:c3 @atom:sh @atom:*
    @dihedral:X-c3-ss-X @atom:* @atom:c3 @atom:ss @atom:*
    @dihedral:X-c3-s4-X @atom:* @atom:c3 @atom:s4 @atom:*
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    @dihedral:X-no-no-X @atom:* @atom:no @atom:no @atom:*
    @dihedral:X-no-no-X @atom:* @atom:no @atom:no @atom:*
    @dihedral:X-no-oh-X @atom:* @atom:no @atom:oh @atom:*
    @dihedral:X-no-os-X @atom:* @atom:no @atom:os @atom:*
    @dihedral:X-no-p2-X @atom:* @atom:no @atom:p2 @atom:*
    @dihedral:X-no-pe-X @atom:* @atom:no @atom:pe @atom:*
    @dihedral:X-no-pf-X @atom:* @atom:no @atom:pf @atom:*
    @dihedral:X-no-p3-X @atom:* @atom:no @atom:p3 @atom:*
    @dihedral:X-no-p4-X @atom:* @atom:no @atom:p4 @atom:*
    @dihedral:X-no-px-X @atom:* @atom:no @atom:px @atom:*
    @dihedral:X-no-p5-X @atom:* @atom:no @atom:p5 @atom:*
    @dihedral:X-no-p5-X @atom:* @atom:no @atom:p5 @atom:*
    @dihedral:X-no-py-X @atom:* @atom:no @atom:py @atom:*
    @dihedral:X-no-py-X @atom:* @atom:no @atom:py @atom:*
    @dihedral:X-no-sh-X @atom:* @atom:no @atom:sh @atom:*
    @dihedral:X-no-ss-X @atom:* @atom:no @atom:ss @atom:*
    @dihedral:X-no-s4-X @atom:* @atom:no @atom:s4 @atom:*
    @dihedral:X-no-sx-X @atom:* @atom:no @atom:sx @atom:*
    @dihedral:X-no-s6-X @atom:* @atom:no @atom:s6 @atom:*
    @dihedral:X-no-sy-X @atom:* @atom:no @atom:sy @atom:*
    @dihedral:X-oh-oh-X @atom:* @atom:oh @atom:oh @atom:*
    @dihedral:X-oh-os-X @atom:* @atom:oh @atom:os @atom:*
    @dihedral:X-oh-p2-X @atom:* @atom:oh @atom:p2 @atom:*
    @dihedral:X-oh-pe-X @atom:* @atom:oh @atom:pe @atom:*
    @dihedral:X-oh-pf-X @atom:* @atom:oh @atom:pf @atom:*
    @dihedral:X-oh-p3-X @atom:* @atom:oh @atom:p3 @atom:*
    @dihedral:X-oh-p4-X @atom:* @atom:oh @atom:p4 @atom:*
    @dihedral:X-oh-px-X @atom:* @atom:oh @atom:px @atom:*
    @dihedral:X-oh-p5-X @atom:* @atom:oh @atom:p5 @atom:*
    @dihedral:X-oh-py-X @atom:* @atom:oh @atom:py @atom:*
    @dihedral:X-oh-sh-X @atom:* @atom:oh @atom:sh @atom:*
    @dihedral:X-oh-ss-X @atom:* @atom:oh @atom:ss @atom:*
    @dihedral:X-oh-s4-X @atom:* @atom:oh @atom:s4 @atom:*
    @dihedral:X-oh-sx-X @atom:* @atom:oh @atom:sx @atom:*
    @dihedral:X-oh-s6-X @atom:* @atom:oh @atom:s6 @atom:*
    @dihedral:X-oh-sy-X @atom:* @atom:oh @atom:sy @atom:*
    @dihedral:X-os-os-X @atom:* @atom:os @atom:os @atom:*
    @dihedral:X-os-ss-X @atom:* @atom:os @atom:ss @atom:*
    @dihedral:X-os-sh-X @atom:* @atom:os @atom:sh @atom:*
    @dihedral:X-os-s4-X @atom:* @atom:os @atom:s4 @atom:*
    @dihedral:X-os-sx-X @atom:* @atom:os @atom:sx @atom:*
    @dihedral:X-os-s6-X @atom:* @atom:os @atom:s6 @atom:*
    @dihedral:X-os-sy-X @atom:* @atom:os @atom:sy @atom:*
    @dihedral:X-os-p2-X @atom:* @atom:os @atom:p2 @atom:*
    @dihedral:X-os-p2-X @atom:* @atom:os @atom:p2 @atom:*
    @dihedral:X-os-pe-X @atom:* @atom:os @atom:pe @atom:*
    @dihedral:X-os-pe-X @atom:* @atom:os @atom:pe @atom:*
    @dihedral:X-os-pf-X @atom:* @atom:os @atom:pf @atom:*
    @dihedral:X-os-pf-X @atom:* @atom:os @atom:pf @atom:*
    @dihedral:X-os-p3-X @atom:* @atom:os @atom:p3 @atom:*
    @dihedral:X-os-p4-X @atom:* @atom:os @atom:p4 @atom:*
    @dihedral:X-os-px-X @atom:* @atom:os @atom:px @atom:*
    @dihedral:X-os-p5-X @atom:* @atom:os @atom:p5 @atom:*
    @dihedral:X-os-py-X @atom:* @atom:os @atom:py @atom:*
    @dihedral:X-p2-p2-X @atom:* @atom:p2 @atom:p2 @atom:*
    @dihedral:X-p2-pe-X @atom:* @atom:p2 @atom:pe @atom:*
    @dihedral:X-p2-pf-X @atom:* @atom:p2 @atom:pf @atom:*
    @dihedral:X-p2-pc-X @atom:* @atom:p2 @atom:pc @atom:*
    @dihedral:X-p2-pd-X @atom:* @atom:p2 @atom:pd @atom:*
    @dihedral:X-pe-pe-X @atom:* @atom:pe @atom:pe @atom:*
    @dihedral:X-pf-pf-X @atom:* @atom:pf @atom:pf @atom:*
    @dihedral:X-pc-pc-X @atom:* @atom:pc @atom:pc @atom:*
    @dihedral:X-pd-pd-X @atom:* @atom:pd @atom:pd @atom:*
    @dihedral:X-pc-pd-X @atom:* @atom:pc @atom:pd @atom:*
    @dihedral:X-p2-p3-X @atom:* @atom:p2 @atom:p3 @atom:*
    @dihedral:X-pe-p3-X @atom:* @atom:pe @atom:p3 @atom:*
    @dihedral:X-pf-p3-X @atom:* @atom:pf @atom:p3 @atom:*
    @dihedral:X-p2-p4-X @atom:* @atom:p2 @atom:p4 @atom:*
    @dihedral:X-pe-px-X @atom:* @atom:pe @atom:px @atom:*
    @dihedral:X-pf-px-X @atom:* @atom:pf @atom:px @atom:*
    @dihedral:X-p2-p5-X @atom:* @atom:p2 @atom:p5 @atom:*
    @dihedral:X-pe-py-X @atom:* @atom:pe @atom:py @atom:*
    @dihedral:X-pf-py-X @atom:* @atom:pf @atom:py @atom:*
    @dihedral:X-p2-sh-X @atom:* @atom:p2 @atom:sh @atom:*
    @dihedral:X-pe-sh-X @atom:* @atom:pe @atom:sh @atom:*
    @dihedral:X-pf-sh-X @atom:* @atom:pf @atom:sh @atom:*
    @dihedral:X-p2-ss-X @atom:* @atom:p2 @atom:ss @atom:*
    @dihedral:X-pe-ss-X @atom:* @atom:pe @atom:ss @atom:*
    @dihedral:X-pf-ss-X @atom:* @atom:pf @atom:ss @atom:*
    @dihedral:X-p2-s4-X @atom:* @atom:p2 @atom:s4 @atom:*
    @dihedral:X-pe-sx-X @atom:* @atom:pe @atom:sx @atom:*
    @dihedral:X-pf-sx-X @atom:* @atom:pf @atom:sx @atom:*
    @dihedral:X-p2-s6-X @atom:* @atom:p2 @atom:s6 @atom:*
    @dihedral:X-pe-sy-X @atom:* @atom:pe @atom:sy @atom:*
    @dihedral:X-pf-sy-X @atom:* @atom:pf @atom:sy @atom:*
    @dihedral:X-p3-p3-X @atom:* @atom:p3 @atom:p3 @atom:*
    @dihedral:X-p3-p4-X @atom:* @atom:p3 @atom:p4 @atom:*
    @dihedral:X-p3-px-X @atom:* @atom:p3 @atom:px @atom:*
    @dihedral:X-p3-p5-X @atom:* @atom:p3 @atom:p5 @atom:*
    @dihedral:X-p3-py-X @atom:* @atom:p3 @atom:py @atom:*
    @dihedral:X-p3-sh-X @atom:* @atom:p3 @atom:sh @atom:*
    @dihedral:X-p3-ss-X @atom:* @atom:p3 @atom:ss @atom:*
    @dihedral:X-p3-s4-X @atom:* @atom:p3 @atom:s4 @atom:*
    @dihedral:X-p3-sx-X @atom:* @atom:p3 @atom:sx @atom:*
    @dihedral:X-p3-s6-X @atom:* @atom:p3 @atom:s6 @atom:*
    @dihedral:X-p3-sy-X @atom:* @atom:p3 @atom:sy @atom:*
    @dihedral:X-p4-p4-X @atom:* @atom:p4 @atom:p4 @atom:*
    @dihedral:X-px-px-X @atom:* @atom:px @atom:px @atom:*
    @dihedral:X-p4-p5-X @atom:* @atom:p4 @atom:p5 @atom:*
    @dihedral:X-px-py-X @atom:* @atom:px @atom:py @atom:*
    @dihedral:X-p4-s4-X @atom:* @atom:p4 @atom:s4 @atom:*
    @dihedral:X-px-sx-X @atom:* @atom:px @atom:sx @atom:*
    @dihedral:X-p4-s6-X @atom:* @atom:p4 @atom:s6 @atom:*
    @dihedral:X-px-sy-X @atom:* @atom:px @atom:sy @atom:*
    @dihedral:X-p4-sh-X @atom:* @atom:p4 @atom:sh @atom:*
    @dihedral:X-px-sh-X @atom:* @atom:px @atom:sh @atom:*
    @dihedral:X-p4-ss-X @atom:* @atom:p4 @atom:ss @atom:*
    @dihedral:X-px-ss-X @atom:* @atom:px @atom:ss @atom:*
    @dihedral:X-p5-p5-X @atom:* @atom:p5 @atom:p5 @atom:*
    @dihedral:X-py-py-X @atom:* @atom:py @atom:py @atom:*
    @dihedral:X-p5-sh-X @atom:* @atom:p5 @atom:sh @atom:*
    @dihedral:X-py-sh-X @atom:* @atom:py @atom:sh @atom:*
    @dihedral:X-p5-ss-X @atom:* @atom:p5 @atom:ss @atom:*
    @dihedral:X-py-ss-X @atom:* @atom:py @atom:ss @atom:*
    @dihedral:X-p5-s4-X @atom:* @atom:p5 @atom:s4 @atom:*
    @dihedral:X-py-sx-X @atom:* @atom:py @atom:sx @atom:*
    @dihedral:X-p5-s6-X @atom:* @atom:p5 @atom:s6 @atom:*
    @dihedral:X-py-sy-X @atom:* @atom:py @atom:sy @atom:*
    @dihedral:X-sh-sh-X @atom:* @atom:sh @atom:sh @atom:*
    @dihedral:X-sh-ss-X @atom:* @atom:sh @atom:ss @atom:*
    @dihedral:X-sh-s4-X @atom:* @atom:sh @atom:s4 @atom:*
    @dihedral:X-sh-sx-X @atom:* @atom:sh @atom:sx @atom:*
    @dihedral:X-sh-s6-X @atom:* @atom:sh @atom:s6 @atom:*
    @dihedral:X-sh-sy-X @atom:* @atom:sh @atom:sy @atom:*
    @dihedral:X-ss-ss-X @atom:* @atom:ss @atom:ss @atom:*
    @dihedral:X-ss-s4-X @atom:* @atom:ss @atom:s4 @atom:*
    @dihedral:X-ss-sx-X @atom:* @atom:ss @atom:sx @atom:*
    @dihedral:X-ss-s6-X @atom:* @atom:ss @atom:s6 @atom:*
    @dihedral:X-ss-sy-X @atom:* @atom:ss @atom:sy @atom:*
    @dihedral:X-s4-s4-X @atom:* @atom:s4 @atom:s4 @atom:*
    @dihedral:X-sx-sx-X @atom:* @atom:sx @atom:sx @atom:*
    @dihedral:X-s4-s6-X @atom:* @atom:s4 @atom:s6 @atom:*
    @dihedral:X-sx-sy-X @atom:* @atom:sx @atom:sy @atom:*
    @dihedral:X-s6-s6-X @atom:* @atom:s6 @atom:s6 @atom:*
    @dihedral:X-sy-sy-X @atom:* @atom:sy @atom:sy @atom:*
    @dihedral:c3-c-sh-hs @atom:c3 @atom:c @atom:sh @atom:hs
    @dihedral:c3-c-sh-hs @atom:c3 @atom:c @atom:sh @atom:hs
    @dihedral:c2-c2-ss-c3 @atom:c2 @atom:c2 @atom:ss @atom:c3
    @dihedral:c2-c2-ss-c3 @atom:c2 @atom:c2 @atom:ss @atom:c3
    @dihedral:c2-c2-n-c @atom:c2 @atom:c2 @atom:n @atom:c
    @dihedral:c2-c2-n-c @atom:c2 @atom:c2 @atom:n @atom:c
    @dihedral:c-n-p2-c2 @atom:c @atom:n @atom:p2 @atom:c2
    @dihedral:c-n-p2-c2 @atom:c @atom:n @atom:p2 @atom:c2
    @dihedral:n-c3-c-n @atom:n @atom:c3 @atom:c @atom:n
    @dihedral:n-c3-c-n @atom:n @atom:c3 @atom:c @atom:n
    @dihedral:c-n-c3-c @atom:c @atom:n @atom:c3 @atom:c
    @dihedral:c-n-c3-c @atom:c @atom:n @atom:c3 @atom:c
    @dihedral:c3-c3-n-c @atom:c3 @atom:c3 @atom:n @atom:c
    @dihedral:c3-c3-n-c @atom:c3 @atom:c3 @atom:n @atom:c
    @dihedral:c3-c3-n-c @atom:c3 @atom:c3 @atom:n @atom:c
    @dihedral:c3-c3-c-n @atom:c3 @atom:c3 @atom:c @atom:n
    @dihedral:c3-c3-c-n @atom:c3 @atom:c3 @atom:c @atom:n
    @dihedral:c2-ne-p5-o @atom:c2 @atom:ne @atom:p5 @atom:o
    @dihedral:c2-ne-p5-o @atom:c2 @atom:ne @atom:p5 @atom:o
    @dihedral:c2-nf-p5-o @atom:c2 @atom:nf @atom:p5 @atom:o
    @dihedral:c2-nf-p5-o @atom:c2 @atom:nf @atom:p5 @atom:o
    @dihedral:ce-ne-p5-o @atom:ce @atom:ne @atom:p5 @atom:o
    @dihedral:ce-ne-p5-o @atom:ce @atom:ne @atom:p5 @atom:o
    @dihedral:ce-nf-p5-o @atom:ce @atom:nf @atom:p5 @atom:o
    @dihedral:ce-nf-p5-o @atom:ce @atom:nf @atom:p5 @atom:o
    @dihedral:cf-ne-p5-o @atom:cf @atom:ne @atom:p5 @atom:o
    @dihedral:cf-ne-p5-o @atom:cf @atom:ne @atom:p5 @atom:o
    @dihedral:cf-nf-p5-o @atom:cf @atom:nf @atom:p5 @atom:o
    @dihedral:cf-nf-p5-o @atom:cf @atom:nf @atom:p5 @atom:o
    @dihedral:hn-n-c-o @atom:hn @atom:n @atom:c @atom:o
    @dihedral:hn-n-c-o @atom:hn @atom:n @atom:c @atom:o
    @dihedral:c3-ss-ss-c3 @atom:c3 @atom:ss @atom:ss @atom:c3
    @dihedral:c3-ss-ss-c3 @atom:c3 @atom:ss @atom:ss @atom:c3
    @dihedral:c3-n3-nh-ca @atom:c3 @atom:n3 @atom:nh @atom:ca
    @dihedral:c3-n3-nh-ca @atom:c3 @atom:n3 @atom:nh @atom:ca
    @dihedral:c3-n3-p5-o @atom:c3 @atom:n3 @atom:p5 @atom:o
    @dihedral:c3-n3-p5-o @atom:c3 @atom:n3 @atom:p5 @atom:o
    @dihedral:ca-nh-oh-ho @atom:ca @atom:nh @atom:oh @atom:ho
    @dihedral:ca-nh-oh-ho @atom:ca @atom:nh @atom:oh @atom:ho
    @dihedral:oh-p5-os-c3 @atom:oh @atom:p5 @atom:os @atom:c3
    @dihedral:oh-p5-os-c3 @atom:oh @atom:p5 @atom:os @atom:c3
    @dihedral:os-p5-os-c3 @atom:os @atom:p5 @atom:os @atom:c3
    @dihedral:os-p5-os-c3 @atom:os @atom:p5 @atom:os @atom:c3
    @dihedral:h1-c3-c-o @atom:h1 @atom:c3 @atom:c @atom:o
    @dihedral:h1-c3-c-o @atom:h1 @atom:c3 @atom:c @atom:o
    @dihedral:hc-c3-c-o @atom:hc @atom:c3 @atom:c @atom:o
    @dihedral:hc-c3-c-o @atom:hc @atom:c3 @atom:c @atom:o
    @dihedral:hc-c3-c3-hc @atom:hc @atom:c3 @atom:c3 @atom:hc
    @dihedral:hc-c3-c3-c3 @atom:hc @atom:c3 @atom:c3 @atom:c3
    @dihedral:hc-c3-c2-c2 @atom:hc @atom:c3 @atom:c2 @atom:c2
    @dihedral:hc-c3-c2-c2 @atom:hc @atom:c3 @atom:c2 @atom:c2
    @dihedral:ho-oh-c3-c3 @atom:ho @atom:oh @atom:c3 @atom:c3
    @dihedral:ho-oh-c3-c3 @atom:ho @atom:oh @atom:c3 @atom:c3
    @dihedral:ho-oh-c-o @atom:ho @atom:oh @atom:c @atom:o
    @dihedral:ho-oh-c-o @atom:ho @atom:oh @atom:c @atom:o
    @dihedral:c2-c2-c-o @atom:c2 @atom:c2 @atom:c @atom:o
    @dihedral:c2-c2-c-o @atom:c2 @atom:c2 @atom:c @atom:o
    @dihedral:c3-c2-c2-c3 @atom:c3 @atom:c2 @atom:c2 @atom:c3
    @dihedral:c3-c2-c2-c3 @atom:c3 @atom:c2 @atom:c2 @atom:c3
    @dihedral:c3-c3-c3-c3 @atom:c3 @atom:c3 @atom:c3 @atom:c3
    @dihedral:c3-c3-c3-c3 @atom:c3 @atom:c3 @atom:c3 @atom:c3
    @dihedral:c3-c3-c3-c3 @atom:c3 @atom:c3 @atom:c3 @atom:c3
    @dihedral:c3-c3-n3-c3 @atom:c3 @atom:c3 @atom:n3 @atom:c3
    @dihedral:c3-c3-n3-c3 @atom:c3 @atom:c3 @atom:n3 @atom:c3
    @dihedral:c3-c3-os-c3 @atom:c3 @atom:c3 @atom:os @atom:c3
    @dihedral:c3-c3-os-c3 @atom:c3 @atom:c3 @atom:os @atom:c3
    @dihedral:c3-c3-os-c @atom:c3 @atom:c3 @atom:os @atom:c
    @dihedral:c3-c3-os-c @atom:c3 @atom:c3 @atom:os @atom:c
    @dihedral:c3-os-c3-os @atom:c3 @atom:os @atom:c3 @atom:os
    @dihedral:c3-os-c3-os @atom:c3 @atom:os @atom:c3 @atom:os
    @dihedral:c3-os-c3-os @atom:c3 @atom:os @atom:c3 @atom:os
    @dihedral:c3-os-c3-na @atom:c3 @atom:os @atom:c3 @atom:na
    @dihedral:c3-os-c3-na @atom:c3 @atom:os @atom:c3 @atom:na
    @dihedral:o-c-os-c3 @atom:o @atom:c @atom:os @atom:c3
    @dihedral:o-c-os-c3 @atom:o @atom:c @atom:os @atom:c3
    @dihedral:os-c3-na-c2 @atom:os @atom:c3 @atom:na @atom:c2
    @dihedral:os-c3-na-c2 @atom:os @atom:c3 @atom:na @atom:c2
    @dihedral:os-c3-c3-os @atom:os @atom:c3 @atom:c3 @atom:os
    @dihedral:os-c3-c3-os @atom:os @atom:c3 @atom:c3 @atom:os
    @dihedral:os-c3-c3-oh @atom:os @atom:c3 @atom:c3 @atom:oh
    @dihedral:os-c3-c3-oh @atom:os @atom:c3 @atom:c3 @atom:oh
    @dihedral:oh-c3-c3-oh @atom:oh @atom:c3 @atom:c3 @atom:oh
    @dihedral:oh-c3-c3-oh @atom:oh @atom:c3 @atom:c3 @atom:oh
    @dihedral:f-c3-c3-f @atom:f @atom:c3 @atom:c3 @atom:f
    @dihedral:f-c3-c3-f @atom:f @atom:c3 @atom:c3 @atom:f
    @dihedral:cl-c3-c3-cl @atom:cl @atom:c3 @atom:c3 @atom:cl
    @dihedral:cl-c3-c3-cl @atom:cl @atom:c3 @atom:c3 @atom:cl
    @dihedral:br-c3-c3-br @atom:br @atom:c3 @atom:c3 @atom:br
    @dihedral:br-c3-c3-br @atom:br @atom:c3 @atom:c3 @atom:br
    @dihedral:h1-c3-c3-os @atom:h1 @atom:c3 @atom:c3 @atom:os
    @dihedral:h1-c3-c3-os @atom:h1 @atom:c3 @atom:c3 @atom:os
    @dihedral:h1-c3-c3-oh @atom:h1 @atom:c3 @atom:c3 @atom:oh
    @dihedral:h1-c3-c3-oh @atom:h1 @atom:c3 @atom:c3 @atom:oh
    @dihedral:h1-c3-c3-f @atom:h1 @atom:c3 @atom:c3 @atom:f
    @dihedral:h1-c3-c3-f @atom:h1 @atom:c3 @atom:c3 @atom:f
    @dihedral:h1-c3-c3-cl @atom:h1 @atom:c3 @atom:c3 @atom:cl
    @dihedral:h1-c3-c3-cl @atom:h1 @atom:c3 @atom:c3 @atom:cl
    @dihedral:h1-c3-c3-br @atom:h1 @atom:c3 @atom:c3 @atom:br
    @dihedral:h1-c3-c3-br @atom:h1 @atom:c3 @atom:c3 @atom:br
    @dihedral:hc-c3-c3-os @atom:hc @atom:c3 @atom:c3 @atom:os
    @dihedral:hc-c3-c3-os @atom:hc @atom:c3 @atom:c3 @atom:os
    @dihedral:hc-c3-c3-oh @atom:hc @atom:c3 @atom:c3 @atom:oh
    @dihedral:hc-c3-c3-oh @atom:hc @atom:c3 @atom:c3 @atom:oh
    @dihedral:hc-c3-c3-f @atom:hc @atom:c3 @atom:c3 @atom:f
    @dihedral:hc-c3-c3-f @atom:hc @atom:c3 @atom:c3 @atom:f
    @dihedral:hc-c3-c3-cl @atom:hc @atom:c3 @atom:c3 @atom:cl
    @dihedral:hc-c3-c3-cl @atom:hc @atom:c3 @atom:c3 @atom:cl
    @dihedral:hc-c3-c3-br @atom:hc @atom:c3 @atom:c3 @atom:br
    @dihedral:hc-c3-c3-br @atom:hc @atom:c3 @atom:c3 @atom:br
  } # (end of Dihedrals By Type)

  write_once("In Settings") {
    improper_coeff @improper:X-o-c-o cvff 1.1 -1 2   # JCC,7,(1986),230
    improper_coeff @improper:X-X-c-o cvff 10.5 -1 2   # JCC,7,(1986),230
    improper_coeff @improper:X-X-ca-ha cvff 1.1 -1 2   # bsd.on C6H6 nmodes
    improper_coeff @improper:X-X-n-hn cvff 1.1 -1 2   # JCC,7,(1986),230
    improper_coeff @improper:X-X-n2-hn cvff 1.1 -1 2   # JCC,7,(1986),230
    improper_coeff @improper:X-X-na-hn cvff 1.1 -1 2   # JCC,7,(1986),230
    improper_coeff @improper:X-c3-n-c3 cvff 1.1 -1 2   # JCC,7,(1986),230
    improper_coeff @improper:X-n2-ca-n2 cvff 10.5 -1 2   # JCC,7,(1986),230
    improper_coeff @improper:c-c2-c2-c3 cvff 1.1 -1 2   # dac guess, 9/94
    improper_coeff @improper:c-ca-ca-c3 cvff 1.1 -1 2   # dac guess, 9/94
    improper_coeff @improper:c-c3-n-hn cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:c-c3-n-o cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:c2-c2-na-c3 cvff 1.1 -1 2   # 
    improper_coeff @improper:c2-c-c2-c3 cvff 1.1 -1 2   # 
    improper_coeff @improper:c2-c3-c2-hc cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:c2-c3-ca-hc cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:c2-hc-c-o cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:c3-o-c-oh cvff 1.1 -1 2   # 
    improper_coeff @improper:c3-c2-c2-n2 cvff 1.1 -1 2   # 
    improper_coeff @improper:c3-c2-c2-na cvff 1.1 -1 2   # 
    improper_coeff @improper:c3-ca-ca-n2 cvff 1.1 -1 2   # 
    improper_coeff @improper:c3-ca-ca-na cvff 1.1 -1 2   # 
    improper_coeff @improper:ca-ca-ca-c2 cvff 1.1 -1 2   # 
    improper_coeff @improper:ca-ca-ca-c3 cvff 1.1 -1 2   # 
    improper_coeff @improper:ca-ca-ca-f cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:ca-ca-ca-cl cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:ca-ca-ca-br cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:ca-ca-ca-i cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:ca-ca-c-oh cvff 1.1 -1 2   # (not used in tyr!)
    improper_coeff @improper:ca-ca-na-c3 cvff 1.1 -1 2   # 
    improper_coeff @improper:ca-c-ca-c3 cvff 1.1 -1 2   # 
    improper_coeff @improper:ca-hc-c-o cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:ca-n2-ca-n2 cvff 1.1 -1 2   # dac, 10/94
    improper_coeff @improper:hc-o-c-oh cvff 1.1 -1 2   # Junmei et al.1999
    improper_coeff @improper:hc-o-c-os cvff 1.1 -1 2   # 
    improper_coeff @improper:n2-c2-ca-n2 cvff 1.1 -1 2   # dac guess, 9/94
    improper_coeff @improper:n2-ca-ca-n2 cvff 1.1 -1 2   # dac guess, 9/94
    improper_coeff @improper:na-n2-ca-n2 cvff 1.1 -1 2   # dac, 10/94
  } # (end of improper_coeffs)

  write_once("Data Impropers By Type") {
    @improper:X-o-c-o @atom:* @atom:o @atom:c @atom:o
    @improper:X-X-c-o @atom:* @atom:* @atom:c @atom:o
    @improper:X-X-ca-ha @atom:* @atom:* @atom:ca @atom:ha
    @improper:X-X-n-hn @atom:* @atom:* @atom:n @atom:hn
    @improper:X-X-n2-hn @atom:* @atom:* @atom:n2 @atom:hn
    @improper:X-X-na-hn @atom:* @atom:* @atom:na @atom:hn
    @improper:X-c3-n-c3 @atom:* @atom:c3 @atom:n @atom:c3
    @improper:X-n2-ca-n2 @atom:* @atom:n2 @atom:ca @atom:n2
    @improper:c-c2-c2-c3 @atom:c @atom:c2 @atom:c2 @atom:c3
    @improper:c-ca-ca-c3 @atom:c @atom:ca @atom:ca @atom:c3
    @improper:c-c3-n-hn @atom:c @atom:c3 @atom:n @atom:hn
    @improper:c-c3-n-o @atom:c @atom:c3 @atom:n @atom:o
    @improper:c2-c2-na-c3 @atom:c2 @atom:c2 @atom:na @atom:c3
    @improper:c2-c-c2-c3 @atom:c2 @atom:c @atom:c2 @atom:c3
    @improper:c2-c3-c2-hc @atom:c2 @atom:c3 @atom:c2 @atom:hc
    @improper:c2-c3-ca-hc @atom:c2 @atom:c3 @atom:ca @atom:hc
    @improper:c2-hc-c-o @atom:c2 @atom:hc @atom:c @atom:o
    @improper:c3-o-c-oh @atom:c3 @atom:o @atom:c @atom:oh
    @improper:c3-c2-c2-n2 @atom:c3 @atom:c2 @atom:c2 @atom:n2
    @improper:c3-c2-c2-na @atom:c3 @atom:c2 @atom:c2 @atom:na
    @improper:c3-ca-ca-n2 @atom:c3 @atom:ca @atom:ca @atom:n2
    @improper:c3-ca-ca-na @atom:c3 @atom:ca @atom:ca @atom:na
    @improper:ca-ca-ca-c2 @atom:ca @atom:ca @atom:ca @atom:c2
    @improper:ca-ca-ca-c3 @atom:ca @atom:ca @atom:ca @atom:c3
    @improper:ca-ca-ca-f @atom:ca @atom:ca @atom:ca @atom:f
    @improper:ca-ca-ca-cl @atom:ca @atom:ca @atom:ca @atom:cl
    @improper:ca-ca-ca-br @atom:ca @atom:ca @atom:ca @atom:br
    @improper:ca-ca-ca-i @atom:ca @atom:ca @atom:ca @atom:i
    @improper:ca-ca-c-oh @atom:ca @atom:ca @atom:c @atom:oh
    @improper:ca-ca-na-c3 @atom:ca @atom:ca @atom:na @atom:c3
    @improper:ca-c-ca-c3 @atom:ca @atom:c @atom:ca @atom:c3
    @improper:ca-hc-c-o @atom:ca @atom:hc @atom:c @atom:o
    @improper:ca-n2-ca-n2 @atom:ca @atom:n2 @atom:ca @atom:n2
    @improper:hc-o-c-oh @atom:hc @atom:o @atom:c @atom:oh
    @improper:hc-o-c-os @atom:hc @atom:o @atom:c @atom:os
    @improper:n2-c2-ca-n2 @atom:n2 @atom:c2 @atom:ca @atom:n2
    @improper:n2-ca-ca-n2 @atom:n2 @atom:ca @atom:ca @atom:n2
    @improper:na-n2-ca-n2 @atom:na @atom:n2 @atom:ca @atom:n2
  } # (end of Impropers By Type)


  write_once("In Init") {
    # Default styles and settings for AMBER based force-fields:
    units           real
    atom_style      full
    bond_style      hybrid harmonic
    angle_style     hybrid harmonic
    dihedral_style  hybrid fourier
    improper_style  hybrid cvff
    pair_style      hybrid lj/charmm/coul/long 9.0 10.0 10.0
    kspace_style    pppm 0.0001
    # If long-range coulombic forces are not needed, replace the previous two
    # lines with "pair_style hybrid lj/charmm/coul/charmm 9.0 10.0 10.0"
    pair_modify     mix arithmetic
    special_bonds   amber
  }

}


