rApA_plus_ions.tpr:
inputrec:
   integrator                     = md
   tinit                          = 0
   dt                             = 0.0025
   nsteps                         = 25000
   init-step                      = 0
   simulation-part                = 1
   comm-mode                      = Linear
   nstcomm                        = 100
   bd-fric                        = 0
   ld-seed                        = 1993
   emtol                          = 10
   emstep                         = 0.01
   niter                          = 20
   fcstep                         = 0
   nstcgsteep                     = 1000
   nbfgscorr                      = 10
   rtpi                           = 0.05
   nstxout                        = 4000
   nstvout                        = 4000
   nstfout                        = 0
   nstlog                         = 400
   nstcalcenergy                  = 100
   nstenergy                      = 400
   nstxout-compressed             = 400
   compressed-x-precision         = 1000
   cutoff-scheme                  = Group
   nstlist                        = 10
   ns-type                        = Grid
   pbc                            = xyz
   periodic-molecules             = FALSE
   verlet-buffer-tolerance        = 0.005
   rlist                          = 1
   rlistlong                      = 1
   nstcalclr                      = 0
   coulombtype                    = PME
   coulomb-modifier               = None
   rcoulomb-switch                = 0
   rcoulomb                       = 1
   epsilon-r                      = 1
   epsilon-rf                     = inf
   vdw-type                       = Cut-off
   vdw-modifier                   = None
   rvdw-switch                    = 0
   rvdw                           = 1
   DispCorr                       = EnerPres
   table-extension                = 1
   fourierspacing                 = 0.18
   fourier-nx                     = 20
   fourier-ny                     = 20
   fourier-nz                     = 20
   pme-order                      = 4
   ewald-rtol                     = 1e-05
   ewald-rtol-lj                  = 1e-05
   lj-pme-comb-rule               = Geometric
   ewald-geometry                 = 0
   epsilon-surface                = 0
   implicit-solvent               = No
   gb-algorithm                   = Still
   nstgbradii                     = 1
   rgbradii                       = 1
   gb-epsilon-solvent             = 80
   gb-saltconc                    = 0
   gb-obc-alpha                   = 1
   gb-obc-beta                    = 0.8
   gb-obc-gamma                   = 4.85
   gb-dielectric-offset           = 0.009
   sa-algorithm                   = Ace-approximation
   sa-surface-tension             = 2.05016
   tcoupl                         = Nose-Hoover
   nsttcouple                     = 10
   nh-chain-length                = 1
   print-nose-hoover-chain-variables = FALSE
   pcoupl                         = Parrinello-Rahman
   pcoupltype                     = Isotropic
   nstpcouple                     = 10
   tau-p                          = 4
   compressibility (3x3):
      compressibility[    0]={ 4.50000e-05,  0.00000e+00,  0.00000e+00}
      compressibility[    1]={ 0.00000e+00,  4.50000e-05,  0.00000e+00}
      compressibility[    2]={ 0.00000e+00,  0.00000e+00,  4.50000e-05}
   ref-p (3x3):
      ref-p[    0]={ 1.00000e+00,  0.00000e+00,  0.00000e+00}
      ref-p[    1]={ 0.00000e+00,  1.00000e+00,  0.00000e+00}
      ref-p[    2]={ 0.00000e+00,  0.00000e+00,  1.00000e+00}
   refcoord-scaling               = No
   posres-com (3):
      posres-com[0]= 0.00000e+00
      posres-com[1]= 0.00000e+00
      posres-com[2]= 0.00000e+00
   posres-comB (3):
      posres-comB[0]= 0.00000e+00
      posres-comB[1]= 0.00000e+00
      posres-comB[2]= 0.00000e+00
   QMMM                           = FALSE
   QMconstraints                  = 0
   QMMMscheme                     = 0
   MMChargeScaleFactor            = 1
qm-opts:
   ngQM                           = 0
   constraint-algorithm           = Lincs
   continuation                   = FALSE
   Shake-SOR                      = FALSE
   shake-tol                      = 0.0001
   lincs-order                    = 4
   lincs-iter                     = 1
   lincs-warnangle                = 30
   nwall                          = 0
   wall-type                      = 9-3
   wall-r-linpot                  = -1
   wall-atomtype[0]               = -1
   wall-atomtype[1]               = -1
   wall-density[0]                = 0
   wall-density[1]                = 0
   wall-ewald-zfac                = 3
   pull                           = FALSE
   rotation                       = FALSE
   interactiveMD                  = FALSE
   disre                          = No
   disre-weighting                = Conservative
   disre-mixed                    = FALSE
   dr-fc                          = 1000
   dr-tau                         = 0
   nstdisreout                    = 100
   orire-fc                       = 0
   orire-tau                      = 0
   nstorireout                    = 100
   free-energy                    = no
   cos-acceleration               = 0
   deform (3x3):
      deform[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   simulated-tempering            = FALSE
   E-x:
      n = 0
   E-xt:
      n = 0
   E-y:
      n = 0
   E-yt:
      n = 0
   E-z:
      n = 0
   E-zt:
      n = 0
   swapcoords                     = no
   adress                         = FALSE
   userint1                       = 0
   userint2                       = 0
   userint3                       = 0
   userint4                       = 0
   userreal1                      = 0
   userreal2                      = 0
   userreal3                      = 0
   userreal4                      = 0
grpopts:
   nrdf:         149
   ref-t:         298
   tau-t:         0.5
annealing:          No
annealing-npoints:           0
   acc:	           0           0           0
   nfreeze:           N           N           N
   energygrp-flags[  0]: 0
header:
   bIr    = present
   bBox   = present
   bTop   = present
   bX     = present
   bV     = present
   bF     = not present
   natoms = 74
   lambda = 0.000000e+00
topology:
   name="Protein in water"
   #atoms                         = 74
   #molblock                      = 3
   molblock (0):
      moltype              = 0 "RNA"
      #molecules                     = 1
      #atoms_mol                     = 65
      #posres_xA                     = 0
      #posres_xB                     = 0
   molblock (1):
      moltype              = 1 "Na_tip4pew"
      #molecules                     = 5
      #atoms_mol                     = 1
      #posres_xA                     = 0
      #posres_xB                     = 0
   molblock (2):
      moltype              = 2 "Cl_tip4pew"
      #molecules                     = 4
      #atoms_mol                     = 1
      #posres_xA                     = 0
      #posres_xB                     = 0
   bIntermolecularInteractions    = FALSE
   ffparams:
      atnr=19
      ntypes=473
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         functype[376]=ANGLES, thA= 1.17300e+02, ctA= 5.85760e+02, thB= 1.17300e+02, ctB= 5.85760e+02
         functype[377]=ANGLES, thA= 1.19300e+02, ctA= 5.85760e+02, thB= 1.19300e+02, ctB= 5.85760e+02
         functype[378]=ANGLES, thA= 1.20000e+02, ctA= 4.18400e+02, thB= 1.20000e+02, ctB= 4.18400e+02
         functype[379]=ANGLES, thA= 1.20000e+02, ctA= 2.92880e+02, thB= 1.20000e+02, ctB= 2.92880e+02
         functype[380]=ANGLES, thA= 1.18600e+02, ctA= 5.85760e+02, thB= 1.18600e+02, ctB= 5.85760e+02
         functype[381]=ANGLES, thA= 1.15450e+02, ctA= 4.18400e+02, thB= 1.15450e+02, ctB= 4.18400e+02
         functype[382]=ANGLES, thA= 1.29100e+02, ctA= 5.85760e+02, thB= 1.29100e+02, ctB= 5.85760e+02
         functype[383]=ANGLES, thA= 1.11000e+02, ctA= 5.85760e+02, thB= 1.11000e+02, ctB= 5.85760e+02
         functype[384]=ANGLES, thA= 1.06200e+02, ctA= 5.85760e+02, thB= 1.06200e+02, ctB= 5.85760e+02
         functype[385]=ANGLES, thA= 1.26200e+02, ctA= 5.85760e+02, thB= 1.26200e+02, ctB= 5.85760e+02
         functype[386]=ANGLES, thA= 1.27700e+02, ctA= 5.85760e+02, thB= 1.27700e+02, ctB= 5.85760e+02
         functype[387]=ANGLES, thA= 1.20500e+02, ctA= 8.36800e+02, thB= 1.20500e+02, ctB= 8.36800e+02
         functype[388]=ANGLES, thA= 1.08230e+02, ctA= 8.36800e+02, thB= 1.08230e+02, ctB= 8.36800e+02
         functype[389]=ANGLES, thA= 1.02600e+02, ctA= 3.76560e+02, thB= 1.02600e+02, ctB= 3.76560e+02
         functype[390]=ANGLES, thA= 1.19900e+02, ctA= 1.17152e+03, thB= 1.19900e+02, ctB= 1.17152e+03
         functype[391]=PDIHS, phiA= 0.00000000e+00, cpA= 6.97329998e-01, phiB= 0.00000000e+00, cpB= 6.97329998e-01, mult=3
         functype[392]=PDIHS, phiA= 0.00000000e+00, cpA= 1.04600000e+00, phiB= 0.00000000e+00, cpB= 1.04600000e+00, mult=1
         functype[393]=PDIHS, phiA= 0.00000000e+00, cpA= 6.50839984e-01, phiB= 0.00000000e+00, cpB= 6.50839984e-01, mult=3
         functype[394]=PDIHS, phiA= 1.90976532e+02, cpA= 4.92891884e+00, phiB= 1.90976532e+02, cpB= 4.92891884e+00, mult=1
         functype[395]=PDIHS, phiA= 2.95632782e+02, cpA= 3.85354996e-01, phiB= 2.95632782e+02, cpB= 3.85354996e-01, mult=2
         functype[396]=PDIHS, phiA= 3.48095337e+02, cpA= 4.02848101e+00, phiB= 3.48095337e+02, cpB= 4.02848101e+00, mult=3
         functype[397]=PDIHS, phiA= 0.00000000e+00, cpA= 1.60247004e+00, phiB= 0.00000000e+00, cpB= 1.60247004e+00, mult=3
         functype[398]=PDIHS, phiA= 1.80000000e+02, cpA= 4.18399990e-01, phiB= 1.80000000e+02, cpB= 4.18399990e-01, mult=2
         functype[399]=PDIHS, phiA= 0.00000000e+00, cpA= 1.60387003e+00, phiB= 0.00000000e+00, cpB= 1.60387003e+00, mult=3
         functype[400]=PDIHS, phiA= 0.00000000e+00, cpA= 7.53120005e-01, phiB= 0.00000000e+00, cpB= 7.53120005e-01, mult=3
         functype[401]=PDIHS, phiA= 1.80000000e+02, cpA= 1.04600000e+00, phiB= 1.80000000e+02, cpB= 1.04600000e+00, mult=2
         functype[402]=PDIHS, phiA= 1.80000000e+02, cpA= 8.36799979e-01, phiB= 1.80000000e+02, cpB= 8.36799979e-01, mult=1
         functype[403]=PDIHS, phiA= 0.00000000e+00, cpA= 6.02500021e-01, phiB= 0.00000000e+00, cpB= 6.02500021e-01, mult=3
         functype[404]=PDIHS, phiA= 0.00000000e+00, cpA= 4.91620016e+00, phiB= 0.00000000e+00, cpB= 4.91620016e+00, mult=2
         functype[405]=PDIHS, phiA= 0.00000000e+00, cpA= 2.71959996e+00, phiB= 0.00000000e+00, cpB= 2.71959996e+00, mult=2
         functype[406]=PDIHS, phiA= 1.80000000e+02, cpA= 7.11280012e+00, phiB= 1.80000000e+02, cpB= 7.11280012e+00, mult=2
         functype[407]=PDIHS, phiA= 1.80000000e+02, cpA= 6.90360022e+00, phiB= 1.80000000e+02, cpB= 6.90360022e+00, mult=2
         functype[408]=PDIHS, phiA= 1.80000000e+02, cpA= 4.18400002e+01, phiB= 1.80000000e+02, cpB= 4.18400002e+01, mult=2
         functype[409]=PDIHS, phiA= 1.80000000e+02, cpA= 1.06691999e+01, phiB= 1.80000000e+02, cpB= 1.06691999e+01, mult=2
         functype[410]=PDIHS, phiA= 1.80000000e+02, cpA= 1.46440001e+01, phiB= 1.80000000e+02, cpB= 1.46440001e+01, mult=2
         functype[411]=PDIHS, phiA= 1.80000000e+02, cpA= 2.28027992e+01, phiB= 1.80000000e+02, cpB= 2.28027992e+01, mult=2
         functype[412]=PDIHS, phiA= 1.80000000e+02, cpA= 1.00416002e+01, phiB= 1.80000000e+02, cpB= 1.00416002e+01, mult=2
         functype[413]=PDIHS, phiA= 1.80000000e+02, cpA= 2.00832005e+01, phiB= 1.80000000e+02, cpB= 2.00832005e+01, mult=2
         functype[414]=PDIHS, phiA= 1.80000000e+02, cpA= 2.84512005e+01, phiB= 1.80000000e+02, cpB= 2.84512005e+01, mult=2
         functype[415]=PDIHS, phiA= 1.80000000e+02, cpA= 1.73635998e+01, phiB= 1.80000000e+02, cpB= 1.73635998e+01, mult=2
         functype[416]=PDIHS, phiA= 0.00000000e+00, cpA= 6.69439971e-01, phiB= 0.00000000e+00, cpB= 6.69439971e-01, mult=3
         functype[417]=PDIHS, phiA= 0.00000000e+00, cpA= 1.04600000e+00, phiB= 0.00000000e+00, cpB= 1.04600000e+00, mult=3
         functype[418]=PDIHS, phiA= 0.00000000e+00, cpA= 5.02080011e+00, phiB= 0.00000000e+00, cpB= 5.02080011e+00, mult=2
         functype[419]=PDIHS, phiA= 3.17950001e+01, cpA= 7.74797022e-01, phiB= 3.17950001e+01, cpB= 7.74797022e-01, mult=1
         functype[420]=PDIHS, phiA= 3.51959595e+02, cpA= 5.25732613e+00, phiB= 3.51959595e+02, cpB= 5.25732613e+00, mult=2
         functype[421]=PDIHS, phiA= 3.57247467e+02, cpA= 1.48472595e+00, phiB= 3.57247467e+02, cpB= 1.48472595e+00, mult=3
         functype[422]=PIDIHS, phiA= 1.80000000e+02, cpA= 4.18400002e+00, phiB= 1.80000000e+02, cpB= 4.18400002e+00, mult=2
         functype[423]=PIDIHS, phiA= 1.80000000e+02, cpA= 4.60239983e+00, phiB= 1.80000000e+02, cpB= 4.60239983e+00, mult=2
         functype[424]=LJ14, c6A= 2.16744156e-04, c12A= 9.76788144e-08, c6B= 2.16744156e-04, c12B= 9.76788144e-08
         functype[425]=LJ14, c6A= 1.23256433e-03, c12A= 9.59953354e-07, c6B= 1.23256433e-03, c12B= 9.59953354e-07
         functype[426]=LJ14, c6A= 1.44992047e-03, c12A= 1.65590291e-06, c6B= 1.44992047e-03, c12B= 1.65590291e-06
         functype[427]=LJ14, c6A= 0.00000000e+00, c12A= 0.00000000e+00, c6B= 0.00000000e+00, c12B= 0.00000000e+00
         functype[428]=LJ14, c6A= 1.41338352e-03, c12A= 2.18213040e-06, c6B= 1.41338352e-03, c12B= 2.18213040e-06
         functype[429]=LJ14, c6A= 2.21912458e-04, c12A= 1.41998271e-07, c6B= 2.21912458e-04, c12B= 1.41998271e-07
         functype[430]=LJ14, c6A= 1.22496788e-03, c12A= 1.31490526e-06, c6B= 1.22496788e-03, c12B= 1.31490526e-06
         functype[431]=LJ14, c6A= 2.99313851e-05, c12A= 6.81918300e-09, c6B= 2.99313851e-05, c12B= 6.81918300e-09
         functype[432]=LJ14, c6A= 1.81212337e-04, c12A= 7.59590577e-08, c6B= 1.81212337e-04, c12B= 7.59590577e-08
         functype[433]=LJ14, c6A= 1.84448159e-04, c12A= 9.80998394e-08, c6B= 1.84448159e-04, c12B= 9.80998394e-08
         functype[434]=LJ14, c6A= 1.54161372e-03, c12A= 2.08255346e-06, c6B= 1.54161372e-03, c12B= 2.08255346e-06
         functype[435]=LJ14, c6A= 2.56554852e-03, c12A= 5.31759179e-06, c6B= 2.56554852e-03, c12B= 5.31759179e-06
         functype[436]=LJ14, c6A= 1.08608825e-03, c12A= 1.16582896e-06, c6B= 1.08608825e-03, c12B= 1.16582896e-06
         functype[437]=LJ14, c6A= 1.03706692e-03, c12A= 7.56036798e-07, c6B= 1.03706692e-03, c12B= 7.56036798e-07
         functype[438]=LJ14, c6A= 2.06082026e-04, c12A= 1.25286434e-07, c6B= 2.06082026e-04, c12B= 1.25286434e-07
         functype[439]=LJ14, c6A= 1.25314237e-03, c12A= 1.93473329e-06, c6B= 1.25314237e-03, c12B= 1.93473329e-06
         functype[440]=LJ14, c6A= 1.63536504e-04, c12A= 8.69778560e-08, c6B= 1.63536504e-04, c12B= 8.69778560e-08
         functype[441]=LJ14, c6A= 2.40135414e-05, c12A= 4.38925829e-09, c6B= 2.40135414e-05, c12B= 4.38925829e-09
         functype[442]=LJ14, c6A= 1.78126385e-04, c12A= 6.59723653e-08, c6B= 1.78126385e-04, c12B= 6.59723653e-08
         functype[443]=LJ14, c6A= 1.36683451e-03, c12A= 1.84644568e-06, c6B= 1.36683451e-03, c12B= 1.84644568e-06
         functype[444]=LJ14, c6A= 2.36922846e-04, c12A= 1.29842817e-07, c6B= 2.36922846e-04, c12B= 1.29842817e-07
         functype[445]=LJ14, c6A= 1.57049194e-03, c12A= 1.55848397e-06, c6B= 1.57049194e-03, c12B= 1.55848397e-06
         functype[446]=LJ14, c6A= 1.11106841e-03, c12A= 1.71538443e-06, c6B= 1.11106841e-03, c12B= 1.71538443e-06
         functype[447]=LJ14, c6A= 1.82717646e-04, c12A= 1.11082187e-07, c6B= 1.82717646e-04, c12B= 1.11082187e-07
         functype[448]=LJ14, c6A= 1.67637295e-03, c12A= 1.97547138e-06, c6B= 1.67637295e-03, c12B= 1.97547138e-06
         functype[449]=LJ14, c6A= 3.82610706e-05, c12A= 4.76094897e-09, c6B= 3.82610706e-05, c12B= 4.76094897e-09
         functype[450]=LJ14, c6A= 4.38493698e-05, c12A= 4.44765158e-09, c6B= 4.38493698e-05, c12B= 4.44765158e-09
         functype[451]=LJ14, c6A= 1.31109764e-03, c12A= 1.35528262e-06, c6B= 1.31109764e-03, c12B= 1.35528262e-06
         functype[452]=LJ14, c6A= 4.21468430e-04, c12A= 3.78829327e-07, c6B= 4.21468430e-04, c12B= 3.78829327e-07
         functype[453]=LJ14, c6A= 1.46386132e-03, c12A= 1.21711685e-06, c6B= 1.46386132e-03, c12B= 1.21711685e-06
         functype[454]=CONSTR, dA= 9.60000008e-02, dB= 9.60000008e-02
         functype[455]=CONSTR, dA= 1.41000003e-01, dB= 1.41000003e-01
         functype[456]=CONSTR, dA= 1.08999997e-01, dB= 1.08999997e-01
         functype[457]=CONSTR, dA= 1.52600005e-01, dB= 1.52600005e-01
         functype[458]=CONSTR, dA= 1.47499993e-01, dB= 1.47499993e-01
         functype[459]=CONSTR, dA= 1.37099996e-01, dB= 1.37099996e-01
         functype[460]=CONSTR, dA= 1.37400001e-01, dB= 1.37400001e-01
         functype[461]=CONSTR, dA= 1.08000003e-01, dB= 1.08000003e-01
         functype[462]=CONSTR, dA= 1.30400002e-01, dB= 1.30400002e-01
         functype[463]=CONSTR, dA= 1.39100000e-01, dB= 1.39100000e-01
         functype[464]=CONSTR, dA= 1.40400007e-01, dB= 1.40400007e-01
         functype[465]=CONSTR, dA= 1.36999995e-01, dB= 1.36999995e-01
         functype[466]=CONSTR, dA= 1.34000003e-01, dB= 1.34000003e-01
         functype[467]=CONSTR, dA= 1.33900002e-01, dB= 1.33900002e-01
         functype[468]=CONSTR, dA= 1.01000004e-01, dB= 1.01000004e-01
         functype[469]=CONSTR, dA= 1.32400006e-01, dB= 1.32400006e-01
         functype[470]=CONSTR, dA= 1.35399997e-01, dB= 1.35399997e-01
         functype[471]=CONSTR, dA= 1.60999998e-01, dB= 1.60999998e-01
         functype[472]=CONSTR, dA= 1.48000002e-01, dB= 1.48000002e-01
      reppow                         = 12
      fudgeQQ                        = 0.8333
cmap
   atomtypes:
      atomtype[  0]={radius= 1.52000e-01, volume= 1.00000e+00, gb_radius= 1.53500e-01, surftens= 1.08000e+00, atomnumber=   8, S_hct= 8.50000e-01)}
      atomtype[  1]={radius= 1.00000e-01, volume= 1.00000e+00, gb_radius= 1.05000e-01, surftens= 1.00000e+00, atomnumber=   1, S_hct= 8.50000e-01)}
      atomtype[  2]={radius=-1.00000e+00, volume=-1.00000e+00, gb_radius=-1.00000e+00, surftens=-1.00000e+00, atomnumber=   6, S_hct=-1.00000e+00)}
      atomtype[  3]={radius= 1.00000e-01, volume= 1.00000e+00, gb_radius= 1.25000e-01, surftens= 1.00000e+00, atomnumber=   1, S_hct= 8.50000e-01)}
      atomtype[  4]={radius= 1.80000e-01, volume= 1.00000e+00, gb_radius= 1.90000e-01, surftens= 1.27600e+00, atomnumber=   6, S_hct= 7.20000e-01)}
      atomtype[  5]={radius=-1.00000e+00, volume=-1.00000e+00, gb_radius=-1.00000e+00, surftens=-1.00000e+00, atomnumber=   8, S_hct=-1.00000e+00)}
      atomtype[  6]={radius=-1.00000e+00, volume=-1.00000e+00, gb_radius=-1.00000e+00, surftens=-1.00000e+00, atomnumber=   1, S_hct=-1.00000e+00)}
      atomtype[  7]={radius=-1.00000e+00, volume=-1.00000e+00, gb_radius=-1.00000e+00, surftens=-1.00000e+00, atomnumber=   7, S_hct=-1.00000e+00)}
      atomtype[  8]={radius=-1.00000e+00, volume=-1.00000e+00, gb_radius=-1.00000e+00, surftens=-1.00000e+00, atomnumber=   6, S_hct=-1.00000e+00)}
      atomtype[  9]={radius= 1.00000e-01, volume= 1.00000e+00, gb_radius= 1.25000e-01, surftens= 1.00000e+00, atomnumber=   1, S_hct= 8.50000e-01)}
      atomtype[ 10]={radius= 1.55000e-01, volume= 1.00000e+00, gb_radius= 1.70630e-01, surftens= 1.21500e+00, atomnumber=   7, S_hct= 7.90000e-01)}
      atomtype[ 11]={radius= 1.72000e-01, volume= 1.20000e-02, gb_radius= 1.87500e-01, surftens= 1.55400e+00, atomnumber=   6, S_hct= 7.20000e-01)}
      atomtype[ 12]={radius= 1.80000e-01, volume= 1.00000e+00, gb_radius= 1.87500e-01, surftens= 1.03700e+00, atomnumber=   6, S_hct= 7.20000e-01)}
      atomtype[ 13]={radius= 1.60000e-01, volume= 1.00000e+00, gb_radius= 1.70630e-01, surftens= 1.21500e+00, atomnumber=   7, S_hct= 7.90000e-01)}
      atomtype[ 14]={radius= 1.00000e-01, volume= 1.00000e+00, gb_radius= 1.15000e-01, surftens= 1.00000e+00, atomnumber=   1, S_hct= 8.50000e-01)}
      atomtype[ 15]={radius=-1.00000e+00, volume=-1.00000e+00, gb_radius=-1.00000e+00, surftens=-1.00000e+00, atomnumber=  15, S_hct=-1.00000e+00)}
      atomtype[ 16]={radius= 1.70000e-01, volume= 1.00000e+00, gb_radius= 1.48000e-01, surftens= 9.22000e-01, atomnumber=   8, S_hct= 8.50000e-01)}
      atomtype[ 17]={radius=-1.00000e+00, volume=-1.00000e+00, gb_radius=-1.00000e+00, surftens=-1.00000e+00, atomnumber=  11, S_hct=-1.00000e+00)}
      atomtype[ 18]={radius=-1.00000e+00, volume=-1.00000e+00, gb_radius=-1.00000e+00, surftens=-1.00000e+00, atomnumber=  17, S_hct=-1.00000e+00)}
   moltype (0):
      name="RNA"
      atoms:
         atom (65):
            atom[     0]={type=  0, typeB=  0, ptype=    Atom, m= 1.60000e+01, q=-6.22300e-01, mB= 1.60000e+01, qB=-6.22300e-01, resind=    0, atomnumber=  8}
            atom[     1]={type=  1, typeB=  1, ptype=    Atom, m= 1.00800e+00, q= 4.29500e-01, mB= 1.00800e+00, qB= 4.29500e-01, resind=    0, atomnumber=  1}
            atom[     2]={type=  2, typeB=  2, ptype=    Atom, m= 1.20100e+01, q= 5.58000e-02, mB= 1.20100e+01, qB= 5.58000e-02, resind=    0, atomnumber=  6}
            atom[     3]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 6.79000e-02, mB= 1.00800e+00, qB= 6.79000e-02, resind=    0, atomnumber=  1}
            atom[     4]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 6.79000e-02, mB= 1.00800e+00, qB= 6.79000e-02, resind=    0, atomnumber=  1}
            atom[     5]={type=  4, typeB=  4, ptype=    Atom, m= 1.20100e+01, q= 1.06500e-01, mB= 1.20100e+01, qB= 1.06500e-01, resind=    0, atomnumber=  6}
            atom[     6]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 1.17400e-01, mB= 1.00800e+00, qB= 1.17400e-01, resind=    0, atomnumber=  1}
            atom[     7]={type=  5, typeB=  5, ptype=    Atom, m= 1.60000e+01, q=-3.54800e-01, mB= 1.60000e+01, qB=-3.54800e-01, resind=    0, atomnumber=  8}
            atom[     8]={type=  4, typeB=  4, ptype=    Atom, m= 1.20100e+01, q= 3.94000e-02, mB= 1.20100e+01, qB= 3.94000e-02, resind=    0, atomnumber=  6}
            atom[     9]={type=  6, typeB=  6, ptype=    Atom, m= 1.00800e+00, q= 2.00700e-01, mB= 1.00800e+00, qB= 2.00700e-01, resind=    0, atomnumber=  1}
            atom[    10]={type=  7, typeB=  7, ptype=    Atom, m= 1.40100e+01, q=-2.51000e-02, mB= 1.40100e+01, qB=-2.51000e-02, resind=    0, atomnumber=  7}
            atom[    11]={type=  8, typeB=  8, ptype=    Atom, m= 1.20100e+01, q= 2.00600e-01, mB= 1.20100e+01, qB= 2.00600e-01, resind=    0, atomnumber=  6}
            atom[    12]={type=  9, typeB=  9, ptype=    Atom, m= 1.00800e+00, q= 1.55300e-01, mB= 1.00800e+00, qB= 1.55300e-01, resind=    0, atomnumber=  1}
            atom[    13]={type= 10, typeB= 10, ptype=    Atom, m= 1.40100e+01, q=-6.07300e-01, mB= 1.40100e+01, qB=-6.07300e-01, resind=    0, atomnumber=  7}
            atom[    14]={type= 11, typeB= 11, ptype=    Atom, m= 1.20100e+01, q= 5.15000e-02, mB= 1.20100e+01, qB= 5.15000e-02, resind=    0, atomnumber=  6}
            atom[    15]={type= 12, typeB= 12, ptype=    Atom, m= 1.20100e+01, q= 7.00900e-01, mB= 1.20100e+01, qB= 7.00900e-01, resind=    0, atomnumber=  6}
            atom[    16]={type= 13, typeB= 13, ptype=    Atom, m= 1.40100e+01, q=-9.01900e-01, mB= 1.40100e+01, qB=-9.01900e-01, resind=    0, atomnumber=  7}
            atom[    17]={type= 14, typeB= 14, ptype=    Atom, m= 1.00800e+00, q= 4.11500e-01, mB= 1.00800e+00, qB= 4.11500e-01, resind=    0, atomnumber=  1}
            atom[    18]={type= 14, typeB= 14, ptype=    Atom, m= 1.00800e+00, q= 4.11500e-01, mB= 1.00800e+00, qB= 4.11500e-01, resind=    0, atomnumber=  1}
            atom[    19]={type=  7, typeB=  7, ptype=    Atom, m= 1.40100e+01, q=-7.61500e-01, mB= 1.40100e+01, qB=-7.61500e-01, resind=    0, atomnumber=  7}
            atom[    20]={type=  8, typeB=  8, ptype=    Atom, m= 1.20100e+01, q= 5.87500e-01, mB= 1.20100e+01, qB= 5.87500e-01, resind=    0, atomnumber=  6}
            atom[    21]={type=  9, typeB=  9, ptype=    Atom, m= 1.00800e+00, q= 4.73000e-02, mB= 1.00800e+00, qB= 4.73000e-02, resind=    0, atomnumber=  1}
            atom[    22]={type=  7, typeB=  7, ptype=    Atom, m= 1.40100e+01, q=-6.99700e-01, mB= 1.40100e+01, qB=-6.99700e-01, resind=    0, atomnumber=  7}
            atom[    23]={type= 11, typeB= 11, ptype=    Atom, m= 1.20100e+01, q= 3.05300e-01, mB= 1.20100e+01, qB= 3.05300e-01, resind=    0, atomnumber=  6}
            atom[    24]={type=  4, typeB=  4, ptype=    Atom, m= 1.20100e+01, q= 2.02200e-01, mB= 1.20100e+01, qB= 2.02200e-01, resind=    0, atomnumber=  6}
            atom[    25]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 6.15000e-02, mB= 1.00800e+00, qB= 6.15000e-02, resind=    0, atomnumber=  1}
            atom[    26]={type=  4, typeB=  4, ptype=    Atom, m= 1.20100e+01, q= 6.70000e-02, mB= 1.20100e+01, qB= 6.70000e-02, resind=    0, atomnumber=  6}
            atom[    27]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 9.72000e-02, mB= 1.00800e+00, qB= 9.72000e-02, resind=    0, atomnumber=  1}
            atom[    28]={type=  0, typeB=  0, ptype=    Atom, m= 1.60000e+01, q=-6.13900e-01, mB= 1.60000e+01, qB=-6.13900e-01, resind=    0, atomnumber=  8}
            atom[    29]={type=  1, typeB=  1, ptype=    Atom, m= 1.00800e+00, q= 4.18600e-01, mB= 1.00800e+00, qB= 4.18600e-01, resind=    0, atomnumber=  1}
            atom[    30]={type=  5, typeB=  5, ptype=    Atom, m= 1.60000e+01, q=-5.24600e-01, mB= 1.60000e+01, qB=-5.24600e-01, resind=    0, atomnumber=  8}
            atom[    31]={type= 15, typeB= 15, ptype=    Atom, m= 3.09700e+01, q= 1.16620e+00, mB= 3.09700e+01, qB= 1.16620e+00, resind=    1, atomnumber= 15}
            atom[    32]={type= 16, typeB= 16, ptype=    Atom, m= 1.60000e+01, q=-7.76000e-01, mB= 1.60000e+01, qB=-7.76000e-01, resind=    1, atomnumber=  8}
            atom[    33]={type= 16, typeB= 16, ptype=    Atom, m= 1.60000e+01, q=-7.76000e-01, mB= 1.60000e+01, qB=-7.76000e-01, resind=    1, atomnumber=  8}
            atom[    34]={type=  5, typeB=  5, ptype=    Atom, m= 1.60000e+01, q=-4.98900e-01, mB= 1.60000e+01, qB=-4.98900e-01, resind=    1, atomnumber=  8}
            atom[    35]={type=  2, typeB=  2, ptype=    Atom, m= 1.20100e+01, q= 5.58000e-02, mB= 1.20100e+01, qB= 5.58000e-02, resind=    1, atomnumber=  6}
            atom[    36]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 6.79000e-02, mB= 1.00800e+00, qB= 6.79000e-02, resind=    1, atomnumber=  1}
            atom[    37]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 6.79000e-02, mB= 1.00800e+00, qB= 6.79000e-02, resind=    1, atomnumber=  1}
            atom[    38]={type=  4, typeB=  4, ptype=    Atom, m= 1.20100e+01, q= 1.06500e-01, mB= 1.20100e+01, qB= 1.06500e-01, resind=    1, atomnumber=  6}
            atom[    39]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 1.17400e-01, mB= 1.00800e+00, qB= 1.17400e-01, resind=    1, atomnumber=  1}
            atom[    40]={type=  5, typeB=  5, ptype=    Atom, m= 1.60000e+01, q=-3.54800e-01, mB= 1.60000e+01, qB=-3.54800e-01, resind=    1, atomnumber=  8}
            atom[    41]={type=  4, typeB=  4, ptype=    Atom, m= 1.20100e+01, q= 3.94000e-02, mB= 1.20100e+01, qB= 3.94000e-02, resind=    1, atomnumber=  6}
            atom[    42]={type=  6, typeB=  6, ptype=    Atom, m= 1.00800e+00, q= 2.00700e-01, mB= 1.00800e+00, qB= 2.00700e-01, resind=    1, atomnumber=  1}
            atom[    43]={type=  7, typeB=  7, ptype=    Atom, m= 1.40100e+01, q=-2.51000e-02, mB= 1.40100e+01, qB=-2.51000e-02, resind=    1, atomnumber=  7}
            atom[    44]={type=  8, typeB=  8, ptype=    Atom, m= 1.20100e+01, q= 2.00600e-01, mB= 1.20100e+01, qB= 2.00600e-01, resind=    1, atomnumber=  6}
            atom[    45]={type=  9, typeB=  9, ptype=    Atom, m= 1.00800e+00, q= 1.55300e-01, mB= 1.00800e+00, qB= 1.55300e-01, resind=    1, atomnumber=  1}
            atom[    46]={type= 10, typeB= 10, ptype=    Atom, m= 1.40100e+01, q=-6.07300e-01, mB= 1.40100e+01, qB=-6.07300e-01, resind=    1, atomnumber=  7}
            atom[    47]={type= 11, typeB= 11, ptype=    Atom, m= 1.20100e+01, q= 5.15000e-02, mB= 1.20100e+01, qB= 5.15000e-02, resind=    1, atomnumber=  6}
            atom[    48]={type= 12, typeB= 12, ptype=    Atom, m= 1.20100e+01, q= 7.00900e-01, mB= 1.20100e+01, qB= 7.00900e-01, resind=    1, atomnumber=  6}
            atom[    49]={type= 13, typeB= 13, ptype=    Atom, m= 1.40100e+01, q=-9.01900e-01, mB= 1.40100e+01, qB=-9.01900e-01, resind=    1, atomnumber=  7}
            atom[    50]={type= 14, typeB= 14, ptype=    Atom, m= 1.00800e+00, q= 4.11500e-01, mB= 1.00800e+00, qB= 4.11500e-01, resind=    1, atomnumber=  1}
            atom[    51]={type= 14, typeB= 14, ptype=    Atom, m= 1.00800e+00, q= 4.11500e-01, mB= 1.00800e+00, qB= 4.11500e-01, resind=    1, atomnumber=  1}
            atom[    52]={type=  7, typeB=  7, ptype=    Atom, m= 1.40100e+01, q=-7.61500e-01, mB= 1.40100e+01, qB=-7.61500e-01, resind=    1, atomnumber=  7}
            atom[    53]={type=  8, typeB=  8, ptype=    Atom, m= 1.20100e+01, q= 5.87500e-01, mB= 1.20100e+01, qB= 5.87500e-01, resind=    1, atomnumber=  6}
            atom[    54]={type=  9, typeB=  9, ptype=    Atom, m= 1.00800e+00, q= 4.73000e-02, mB= 1.00800e+00, qB= 4.73000e-02, resind=    1, atomnumber=  1}
            atom[    55]={type=  7, typeB=  7, ptype=    Atom, m= 1.40100e+01, q=-6.99700e-01, mB= 1.40100e+01, qB=-6.99700e-01, resind=    1, atomnumber=  7}
            atom[    56]={type= 11, typeB= 11, ptype=    Atom, m= 1.20100e+01, q= 3.05300e-01, mB= 1.20100e+01, qB= 3.05300e-01, resind=    1, atomnumber=  6}
            atom[    57]={type=  4, typeB=  4, ptype=    Atom, m= 1.20100e+01, q= 2.02200e-01, mB= 1.20100e+01, qB= 2.02200e-01, resind=    1, atomnumber=  6}
            atom[    58]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 6.15000e-02, mB= 1.00800e+00, qB= 6.15000e-02, resind=    1, atomnumber=  1}
            atom[    59]={type=  4, typeB=  4, ptype=    Atom, m= 1.20100e+01, q= 6.70000e-02, mB= 1.20100e+01, qB= 6.70000e-02, resind=    1, atomnumber=  6}
            atom[    60]={type=  3, typeB=  3, ptype=    Atom, m= 1.00800e+00, q= 9.72000e-02, mB= 1.00800e+00, qB= 9.72000e-02, resind=    1, atomnumber=  1}
            atom[    61]={type=  0, typeB=  0, ptype=    Atom, m= 1.60000e+01, q=-6.13900e-01, mB= 1.60000e+01, qB=-6.13900e-01, resind=    1, atomnumber=  8}
            atom[    62]={type=  1, typeB=  1, ptype=    Atom, m= 1.00800e+00, q= 4.18600e-01, mB= 1.00800e+00, qB= 4.18600e-01, resind=    1, atomnumber=  1}
            atom[    63]={type=  0, typeB=  0, ptype=    Atom, m= 1.60000e+01, q=-6.54100e-01, mB= 1.60000e+01, qB=-6.54100e-01, resind=    1, atomnumber=  8}
            atom[    64]={type=  1, typeB=  1, ptype=    Atom, m= 1.00800e+00, q= 4.37600e-01, mB= 1.00800e+00, qB= 4.37600e-01, resind=    1, atomnumber=  1}
         atom (65):
            atom[0]={name="O5'"}
            atom[1]={name="H5T"}
            atom[2]={name="C5'"}
            atom[3]={name="H5'1"}
            atom[4]={name="H5'2"}
            atom[5]={name="C4'"}
            atom[6]={name="H4'"}
            atom[7]={name="O4'"}
            atom[8]={name="C1'"}
            atom[9]={name="H1'"}
            atom[10]={name="N9"}
            atom[11]={name="C8"}
            atom[12]={name="H8"}
            atom[13]={name="N7"}
            atom[14]={name="C5"}
            atom[15]={name="C6"}
            atom[16]={name="N6"}
            atom[17]={name="H61"}
            atom[18]={name="H62"}
            atom[19]={name="N1"}
            atom[20]={name="C2"}
            atom[21]={name="H2"}
            atom[22]={name="N3"}
            atom[23]={name="C4"}
            atom[24]={name="C3'"}
            atom[25]={name="H3'"}
            atom[26]={name="C2'"}
            atom[27]={name="H2'1"}
            atom[28]={name="O2'"}
            atom[29]={name="HO'2"}
            atom[30]={name="O3'"}
            atom[31]={name="P"}
            atom[32]={name="O1P"}
            atom[33]={name="O2P"}
            atom[34]={name="O5'"}
            atom[35]={name="C5'"}
            atom[36]={name="H5'1"}
            atom[37]={name="H5'2"}
            atom[38]={name="C4'"}
            atom[39]={name="H4'"}
            atom[40]={name="O4'"}
            atom[41]={name="C1'"}
            atom[42]={name="H1'"}
            atom[43]={name="N9"}
            atom[44]={name="C8"}
            atom[45]={name="H8"}
            atom[46]={name="N7"}
            atom[47]={name="C5"}
            atom[48]={name="C6"}
            atom[49]={name="N6"}
            atom[50]={name="H61"}
            atom[51]={name="H62"}
            atom[52]={name="N1"}
            atom[53]={name="C2"}
            atom[54]={name="H2"}
            atom[55]={name="N3"}
            atom[56]={name="C4"}
            atom[57]={name="C3'"}
            atom[58]={name="H3'"}
            atom[59]={name="C2'"}
            atom[60]={name="H2'1"}
            atom[61]={name="O2'"}
            atom[62]={name="HO'2"}
            atom[63]={name="O3'"}
            atom[64]={name="H3T"}
         type (65):
            type[0]={name="OH",nameB="OH"}
            type[1]={name="HO",nameB="HO"}
            type[2]={name="CI",nameB="CI"}
            type[3]={name="H1",nameB="H1"}
            type[4]={name="H1",nameB="H1"}
            type[5]={name="CT",nameB="CT"}
            type[6]={name="H1",nameB="H1"}
            type[7]={name="OS",nameB="OS"}
            type[8]={name="CT",nameB="CT"}
            type[9]={name="H2",nameB="H2"}
            type[10]={name="N*",nameB="N*"}
            type[11]={name="C4",nameB="C4"}
            type[12]={name="H5",nameB="H5"}
            type[13]={name="NB",nameB="NB"}
            type[14]={name="CB",nameB="CB"}
            type[15]={name="CA",nameB="CA"}
            type[16]={name="N2",nameB="N2"}
            type[17]={name="H",nameB="H"}
            type[18]={name="H",nameB="H"}
            type[19]={name="NC",nameB="NC"}
            type[20]={name="CQ",nameB="CQ"}
            type[21]={name="H5",nameB="H5"}
            type[22]={name="NC",nameB="NC"}
            type[23]={name="CB",nameB="CB"}
            type[24]={name="CT",nameB="CT"}
            type[25]={name="H1",nameB="H1"}
            type[26]={name="CT",nameB="CT"}
            type[27]={name="H1",nameB="H1"}
            type[28]={name="OH",nameB="OH"}
            type[29]={name="HO",nameB="HO"}
            type[30]={name="OS",nameB="OS"}
            type[31]={name="P",nameB="P"}
            type[32]={name="O2",nameB="O2"}
            type[33]={name="O2",nameB="O2"}
            type[34]={name="OS",nameB="OS"}
            type[35]={name="CI",nameB="CI"}
            type[36]={name="H1",nameB="H1"}
            type[37]={name="H1",nameB="H1"}
            type[38]={name="CT",nameB="CT"}
            type[39]={name="H1",nameB="H1"}
            type[40]={name="OS",nameB="OS"}
            type[41]={name="CT",nameB="CT"}
            type[42]={name="H2",nameB="H2"}
            type[43]={name="N*",nameB="N*"}
            type[44]={name="C4",nameB="C4"}
            type[45]={name="H5",nameB="H5"}
            type[46]={name="NB",nameB="NB"}
            type[47]={name="CB",nameB="CB"}
            type[48]={name="CA",nameB="CA"}
            type[49]={name="N2",nameB="N2"}
            type[50]={name="H",nameB="H"}
            type[51]={name="H",nameB="H"}
            type[52]={name="NC",nameB="NC"}
            type[53]={name="CQ",nameB="CQ"}
            type[54]={name="H5",nameB="H5"}
            type[55]={name="NC",nameB="NC"}
            type[56]={name="CB",nameB="CB"}
            type[57]={name="CT",nameB="CT"}
            type[58]={name="H1",nameB="H1"}
            type[59]={name="CT",nameB="CT"}
            type[60]={name="H1",nameB="H1"}
            type[61]={name="OH",nameB="OH"}
            type[62]={name="HO",nameB="HO"}
            type[63]={name="OH",nameB="OH"}
            type[64]={name="HO",nameB="HO"}
         residue (2):
            residue[0]={name="RA", nr=1, ic=' '}
            residue[1]={name="RA", nr=2, ic=' '}
      cgs:
         nr=65
         cgs[0]={0..0}
         cgs[1]={1..1}
         cgs[2]={2..2}
         cgs[3]={3..3}
         cgs[4]={4..4}
         cgs[5]={5..5}
         cgs[6]={6..6}
         cgs[7]={7..7}
         cgs[8]={8..8}
         cgs[9]={9..9}
         cgs[10]={10..10}
         cgs[11]={11..11}
         cgs[12]={12..12}
         cgs[13]={13..13}
         cgs[14]={14..14}
         cgs[15]={15..15}
         cgs[16]={16..16}
         cgs[17]={17..17}
         cgs[18]={18..18}
         cgs[19]={19..19}
         cgs[20]={20..20}
         cgs[21]={21..21}
         cgs[22]={22..22}
         cgs[23]={23..23}
         cgs[24]={24..24}
         cgs[25]={25..25}
         cgs[26]={26..26}
         cgs[27]={27..27}
         cgs[28]={28..28}
         cgs[29]={29..29}
         cgs[30]={30..30}
         cgs[31]={31..31}
         cgs[32]={32..32}
         cgs[33]={33..33}
         cgs[34]={34..34}
         cgs[35]={35..35}
         cgs[36]={36..36}
         cgs[37]={37..37}
         cgs[38]={38..38}
         cgs[39]={39..39}
         cgs[40]={40..40}
         cgs[41]={41..41}
         cgs[42]={42..42}
         cgs[43]={43..43}
         cgs[44]={44..44}
         cgs[45]={45..45}
         cgs[46]={46..46}
         cgs[47]={47..47}
         cgs[48]={48..48}
         cgs[49]={49..49}
         cgs[50]={50..50}
         cgs[51]={51..51}
         cgs[52]={52..52}
         cgs[53]={53..53}
         cgs[54]={54..54}
         cgs[55]={55..55}
         cgs[56]={56..56}
         cgs[57]={57..57}
         cgs[58]={58..58}
         cgs[59]={59..59}
         cgs[60]={60..60}
         cgs[61]={61..61}
         cgs[62]={62..62}
         cgs[63]={63..63}
         cgs[64]={64..64}
      excls:
         nr=65
         nra=765
         excls[0][0..8]={0, 1, 2, 3, 4, 5, 6, 7, 24}
         excls[1][9..14]={0, 1, 2, 3, 4, 5}
         excls[2][15..27]={0, 1, 2, 3, 4, 5, 6, 7, 8, 24, 25, 26, 30}
         excls[3][28..36]={0, 1, 2, 3, 4, 5, 6, 7, 24}
         excls[4][37..45]={0, 1, 2, 3, 4, 5, 6, 7, 24}
         excls[5][46..63]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 24, 25, 26, 
            27, 28, 30, 31}
         excls[6][64..75]={0, 2, 3, 4, 5, 6, 7, 8, 24, 25, 26, 30}
         excls[7][76..93]={0, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 23, 24, 25, 
            26, 27, 28, 30}
         excls[8][94..113]={2, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 22, 23, 
            24, 25, 26, 27, 28, 29, 30}
         excls[9][114..124]={5, 7, 8, 9, 10, 11, 23, 24, 26, 27, 28}
         excls[10][125..141]={5, 7, 8, 9, 10, 11, 12, 13, 14, 15, 20, 22, 
            23, 24, 26, 27, 28}
         excls[11][142..153]={7, 8, 9, 10, 11, 12, 13, 14, 15, 22, 23, 
            26}
         excls[12][154..160]={8, 10, 11, 12, 13, 14, 23}
         excls[13][161..171]={8, 10, 11, 12, 13, 14, 15, 16, 19, 22, 23}
         excls[14][172..185]={8, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 
            20, 22, 23}
         excls[15][186..198]={10, 11, 13, 14, 15, 16, 17, 18, 19, 20, 21, 
            22, 23}
         excls[16][199..207]={13, 14, 15, 16, 17, 18, 19, 20, 23}
         excls[17][208..213]={14, 15, 16, 17, 18, 19}
         excls[18][214..219]={14, 15, 16, 17, 18, 19}
         excls[19][220..230]={13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23}
         excls[20][231..239]={10, 14, 15, 16, 19, 20, 21, 22, 23}
         excls[21][240..245]={15, 19, 20, 21, 22, 23}
         excls[22][246..256]={8, 10, 11, 13, 14, 15, 19, 20, 21, 22, 23}
         excls[23][257..272]={7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 19, 
            20, 21, 22, 23, 26}
         excls[24][273..293]={0, 2, 3, 4, 5, 6, 7, 8, 9, 10, 24, 25, 26, 
            27, 28, 29, 30, 31, 32, 33, 34}
         excls[25][294..305]={2, 5, 6, 7, 8, 24, 25, 26, 27, 28, 30, 31}
         excls[26][306..322]={2, 5, 6, 7, 8, 9, 10, 11, 23, 24, 25, 26, 
            27, 28, 29, 30, 31}
         excls[27][323..334]={5, 7, 8, 9, 10, 24, 25, 26, 27, 28, 29, 30}
         excls[28][335..346]={5, 7, 8, 9, 10, 24, 25, 26, 27, 28, 29, 30}
         excls[29][347..352]={8, 24, 26, 27, 28, 29}
         excls[30][353..368]={2, 5, 6, 7, 8, 24, 25, 26, 27, 28, 30, 31, 
            32, 33, 34, 35}
         excls[31][369..381]={5, 24, 25, 26, 30, 31, 32, 33, 34, 35, 36, 
            37, 38}
         excls[32][382..388]={24, 30, 31, 32, 33, 34, 35}
         excls[33][389..395]={24, 30, 31, 32, 33, 34, 35}
         excls[34][396..408]={24, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 
            40, 57}
         excls[35][409..424]={30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 
            41, 57, 58, 59, 63}
         excls[36][425..433]={31, 34, 35, 36, 37, 38, 39, 40, 57}
         excls[37][434..442]={31, 34, 35, 36, 37, 38, 39, 40, 57}
         excls[38][443..460]={31, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 
            57, 58, 59, 60, 61, 63, 64}
         excls[39][461..472]={34, 35, 36, 37, 38, 39, 40, 41, 57, 58, 59, 
            63}
         excls[40][473..490]={34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 
            56, 57, 58, 59, 60, 61, 63}
         excls[41][491..510]={35, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 
            55, 56, 57, 58, 59, 60, 61, 62, 63}
         excls[42][511..521]={38, 40, 41, 42, 43, 44, 56, 57, 59, 60, 61}
         excls[43][522..538]={38, 40, 41, 42, 43, 44, 45, 46, 47, 48, 53, 
            55, 56, 57, 59, 60, 61}
         excls[44][539..550]={40, 41, 42, 43, 44, 45, 46, 47, 48, 55, 56, 
            59}
         excls[45][551..557]={41, 43, 44, 45, 46, 47, 56}
         excls[46][558..568]={41, 43, 44, 45, 46, 47, 48, 49, 52, 55, 56}
         excls[47][569..582]={41, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 
            53, 55, 56}
         excls[48][583..595]={43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 
            55, 56}
         excls[49][596..604]={46, 47, 48, 49, 50, 51, 52, 53, 56}
         excls[50][605..610]={47, 48, 49, 50, 51, 52}
         excls[51][611..616]={47, 48, 49, 50, 51, 52}
         excls[52][617..627]={46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56}
         excls[53][628..636]={43, 47, 48, 49, 52, 53, 54, 55, 56}
         excls[54][637..642]={48, 52, 53, 54, 55, 56}
         excls[55][643..653]={41, 43, 44, 46, 47, 48, 52, 53, 54, 55, 56}
         excls[56][654..669]={40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 52, 
            53, 54, 55, 56, 59}
         excls[57][670..687]={34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 57, 
            58, 59, 60, 61, 62, 63, 64}
         excls[58][688..699]={35, 38, 39, 40, 41, 57, 58, 59, 60, 61, 63, 
            64}
         excls[59][700..716]={35, 38, 39, 40, 41, 42, 43, 44, 56, 57, 58, 
            59, 60, 61, 62, 63, 64}
         excls[60][717..728]={38, 40, 41, 42, 43, 57, 58, 59, 60, 61, 62, 
            63}
         excls[61][729..740]={38, 40, 41, 42, 43, 57, 58, 59, 60, 61, 62, 
            63}
         excls[62][741..746]={41, 57, 59, 60, 61, 62}
         excls[63][747..758]={35, 38, 39, 40, 41, 57, 58, 59, 60, 61, 63, 
            64}
         excls[64][759..764]={38, 57, 58, 59, 63, 64}
      Angle:
         nr: 488
         iatoms:
            0 type=361 (ANGLES) 1 0 2
            1 type=362 (ANGLES) 0 2 3
            2 type=362 (ANGLES) 0 2 4
            3 type=362 (ANGLES) 0 2 5
            4 type=363 (ANGLES) 3 2 4
            5 type=362 (ANGLES) 3 2 5
            6 type=362 (ANGLES) 4 2 5
            7 type=362 (ANGLES) 2 5 6
            8 type=362 (ANGLES) 2 5 7
            9 type=364 (ANGLES) 2 5 24
            10 type=362 (ANGLES) 6 5 7
            11 type=362 (ANGLES) 6 5 24
            12 type=362 (ANGLES) 7 5 24
            13 type=365 (ANGLES) 5 7 8
            14 type=362 (ANGLES) 7 8 9
            15 type=362 (ANGLES) 7 8 10
            16 type=362 (ANGLES) 7 8 26
            17 type=362 (ANGLES) 9 8 10
            18 type=362 (ANGLES) 9 8 26
            19 type=362 (ANGLES) 10 8 26
            20 type=366 (ANGLES) 8 10 11
            21 type=367 (ANGLES) 8 10 23
            22 type=368 (ANGLES) 11 10 23
            23 type=369 (ANGLES) 10 11 12
            24 type=370 (ANGLES) 10 11 13
            25 type=369 (ANGLES) 12 11 13
            26 type=371 (ANGLES) 11 13 14
            27 type=372 (ANGLES) 13 14 15
            28 type=373 (ANGLES) 13 14 23
            29 type=374 (ANGLES) 15 14 23
            30 type=375 (ANGLES) 14 15 16
            31 type=376 (ANGLES) 14 15 19
            32 type=377 (ANGLES) 16 15 19
            33 type=378 (ANGLES) 15 16 17
            34 type=378 (ANGLES) 15 16 18
            35 type=379 (ANGLES) 17 16 18
            36 type=380 (ANGLES) 15 19 20
            37 type=381 (ANGLES) 19 20 21
            38 type=382 (ANGLES) 19 20 22
            39 type=381 (ANGLES) 21 20 22
            40 type=383 (ANGLES) 20 22 23
            41 type=384 (ANGLES) 10 23 14
            42 type=385 (ANGLES) 10 23 22
            43 type=386 (ANGLES) 14 23 22
            44 type=362 (ANGLES) 5 24 25
            45 type=364 (ANGLES) 5 24 26
            46 type=362 (ANGLES) 5 24 30
            47 type=362 (ANGLES) 25 24 26
            48 type=362 (ANGLES) 25 24 30
            49 type=362 (ANGLES) 26 24 30
            50 type=364 (ANGLES) 8 26 24
            51 type=362 (ANGLES) 8 26 27
            52 type=362 (ANGLES) 8 26 28
            53 type=362 (ANGLES) 24 26 27
            54 type=362 (ANGLES) 24 26 28
            55 type=362 (ANGLES) 27 26 28
            56 type=361 (ANGLES) 26 28 29
            57 type=387 (ANGLES) 24 30 31
            58 type=388 (ANGLES) 30 31 32
            59 type=388 (ANGLES) 30 31 33
            60 type=389 (ANGLES) 30 31 34
            61 type=390 (ANGLES) 32 31 33
            62 type=388 (ANGLES) 32 31 34
            63 type=388 (ANGLES) 33 31 34
            64 type=387 (ANGLES) 31 34 35
            65 type=362 (ANGLES) 34 35 36
            66 type=362 (ANGLES) 34 35 37
            67 type=362 (ANGLES) 34 35 38
            68 type=363 (ANGLES) 36 35 37
            69 type=362 (ANGLES) 36 35 38
            70 type=362 (ANGLES) 37 35 38
            71 type=362 (ANGLES) 35 38 39
            72 type=362 (ANGLES) 35 38 40
            73 type=364 (ANGLES) 35 38 57
            74 type=362 (ANGLES) 39 38 40
            75 type=362 (ANGLES) 39 38 57
            76 type=362 (ANGLES) 40 38 57
            77 type=365 (ANGLES) 38 40 41
            78 type=362 (ANGLES) 40 41 42
            79 type=362 (ANGLES) 40 41 43
            80 type=362 (ANGLES) 40 41 59
            81 type=362 (ANGLES) 42 41 43
            82 type=362 (ANGLES) 42 41 59
            83 type=362 (ANGLES) 43 41 59
            84 type=366 (ANGLES) 41 43 44
            85 type=367 (ANGLES) 41 43 56
            86 type=368 (ANGLES) 44 43 56
            87 type=369 (ANGLES) 43 44 45
            88 type=370 (ANGLES) 43 44 46
            89 type=369 (ANGLES) 45 44 46
            90 type=371 (ANGLES) 44 46 47
            91 type=372 (ANGLES) 46 47 48
            92 type=373 (ANGLES) 46 47 56
            93 type=374 (ANGLES) 48 47 56
            94 type=375 (ANGLES) 47 48 49
            95 type=376 (ANGLES) 47 48 52
            96 type=377 (ANGLES) 49 48 52
            97 type=378 (ANGLES) 48 49 50
            98 type=378 (ANGLES) 48 49 51
            99 type=379 (ANGLES) 50 49 51
            100 type=380 (ANGLES) 48 52 53
            101 type=381 (ANGLES) 52 53 54
            102 type=382 (ANGLES) 52 53 55
            103 type=381 (ANGLES) 54 53 55
            104 type=383 (ANGLES) 53 55 56
            105 type=384 (ANGLES) 43 56 47
            106 type=385 (ANGLES) 43 56 55
            107 type=386 (ANGLES) 47 56 55
            108 type=362 (ANGLES) 38 57 58
            109 type=364 (ANGLES) 38 57 59
            110 type=362 (ANGLES) 38 57 63
            111 type=362 (ANGLES) 58 57 59
            112 type=362 (ANGLES) 58 57 63
            113 type=362 (ANGLES) 59 57 63
            114 type=364 (ANGLES) 41 59 57
            115 type=362 (ANGLES) 41 59 60
            116 type=362 (ANGLES) 41 59 61
            117 type=362 (ANGLES) 57 59 60
            118 type=362 (ANGLES) 57 59 61
            119 type=362 (ANGLES) 60 59 61
            120 type=361 (ANGLES) 59 61 62
            121 type=361 (ANGLES) 57 63 64
      Proper Dih.:
         nr: 1035
         iatoms:
            0 type=391 (PDIHS) 1 0 2 3
            1 type=391 (PDIHS) 1 0 2 4
            2 type=391 (PDIHS) 1 0 2 5
            3 type=392 (PDIHS) 0 2 5 6
            4 type=393 (PDIHS) 0 2 5 7
            5 type=394 (PDIHS) 0 2 5 24
            6 type=395 (PDIHS) 0 2 5 24
            7 type=396 (PDIHS) 0 2 5 24
            8 type=393 (PDIHS) 3 2 5 6
            9 type=392 (PDIHS) 3 2 5 7
            10 type=393 (PDIHS) 3 2 5 24
            11 type=393 (PDIHS) 4 2 5 6
            12 type=392 (PDIHS) 4 2 5 7
            13 type=393 (PDIHS) 4 2 5 24
            14 type=397 (PDIHS) 2 5 7 8
            15 type=398 (PDIHS) 2 5 7 8
            16 type=399 (PDIHS) 6 5 7 8
            17 type=397 (PDIHS) 24 5 7 8
            18 type=398 (PDIHS) 24 5 7 8
            19 type=393 (PDIHS) 2 5 24 25
            20 type=400 (PDIHS) 2 5 24 26
            21 type=401 (PDIHS) 2 5 24 26
            22 type=402 (PDIHS) 2 5 24 26
            23 type=393 (PDIHS) 2 5 24 30
            24 type=393 (PDIHS) 6 5 24 25
            25 type=393 (PDIHS) 6 5 24 26
            26 type=392 (PDIHS) 6 5 24 30
            27 type=392 (PDIHS) 7 5 24 25
            28 type=393 (PDIHS) 7 5 24 26
            29 type=403 (PDIHS) 7 5 24 30
            30 type=404 (PDIHS) 7 5 24 30
            31 type=399 (PDIHS) 5 7 8 9
            32 type=397 (PDIHS) 5 7 8 10
            33 type=405 (PDIHS) 5 7 8 10
            34 type=397 (PDIHS) 5 7 8 26
            35 type=398 (PDIHS) 5 7 8 26
            36 type=393 (PDIHS) 7 8 26 24
            37 type=392 (PDIHS) 7 8 26 27
            38 type=403 (PDIHS) 7 8 26 28
            39 type=404 (PDIHS) 7 8 26 28
            40 type=393 (PDIHS) 9 8 26 24
            41 type=393 (PDIHS) 9 8 26 27
            42 type=393 (PDIHS) 9 8 26 28
            43 type=393 (PDIHS) 10 8 26 24
            44 type=393 (PDIHS) 10 8 26 27
            45 type=393 (PDIHS) 10 8 26 28
            46 type=406 (PDIHS) 8 10 11 12
            47 type=406 (PDIHS) 8 10 11 13
            48 type=406 (PDIHS) 23 10 11 12
            49 type=406 (PDIHS) 23 10 11 13
            50 type=407 (PDIHS) 8 10 23 14
            51 type=407 (PDIHS) 8 10 23 22
            52 type=407 (PDIHS) 11 10 23 14
            53 type=407 (PDIHS) 11 10 23 22
            54 type=408 (PDIHS) 10 11 13 14
            55 type=408 (PDIHS) 12 11 13 14
            56 type=409 (PDIHS) 11 13 14 15
            57 type=409 (PDIHS) 11 13 14 23
            58 type=410 (PDIHS) 13 14 15 16
            59 type=410 (PDIHS) 13 14 15 19
            60 type=410 (PDIHS) 23 14 15 16
            61 type=410 (PDIHS) 23 14 15 19
            62 type=411 (PDIHS) 13 14 23 10
            63 type=411 (PDIHS) 13 14 23 22
            64 type=411 (PDIHS) 15 14 23 10
            65 type=411 (PDIHS) 15 14 23 22
            66 type=412 (PDIHS) 14 15 16 17
            67 type=412 (PDIHS) 14 15 16 18
            68 type=412 (PDIHS) 19 15 16 17
            69 type=412 (PDIHS) 19 15 16 18
            70 type=413 (PDIHS) 14 15 19 20
            71 type=413 (PDIHS) 16 15 19 20
            72 type=414 (PDIHS) 15 19 20 21
            73 type=414 (PDIHS) 15 19 20 22
            74 type=414 (PDIHS) 19 20 22 23
            75 type=414 (PDIHS) 21 20 22 23
            76 type=415 (PDIHS) 20 22 23 10
            77 type=415 (PDIHS) 20 22 23 14
            78 type=400 (PDIHS) 5 24 26 8
            79 type=401 (PDIHS) 5 24 26 8
            80 type=402 (PDIHS) 5 24 26 8
            81 type=393 (PDIHS) 5 24 26 27
            82 type=393 (PDIHS) 5 24 26 28
            83 type=393 (PDIHS) 25 24 26 8
            84 type=393 (PDIHS) 25 24 26 27
            85 type=392 (PDIHS) 25 24 26 28
            86 type=393 (PDIHS) 30 24 26 8
            87 type=392 (PDIHS) 30 24 26 27
            88 type=403 (PDIHS) 30 24 26 28
            89 type=404 (PDIHS) 30 24 26 28
            90 type=399 (PDIHS) 5 24 30 31
            91 type=399 (PDIHS) 25 24 30 31
            92 type=399 (PDIHS) 26 24 30 31
            93 type=416 (PDIHS) 8 26 28 29
            94 type=392 (PDIHS) 8 26 28 29
            95 type=416 (PDIHS) 24 26 28 29
            96 type=392 (PDIHS) 24 26 28 29
            97 type=391 (PDIHS) 27 26 28 29
            98 type=417 (PDIHS) 24 30 31 32
            99 type=417 (PDIHS) 24 30 31 33
            100 type=417 (PDIHS) 24 30 31 34
            101 type=418 (PDIHS) 24 30 31 34
            102 type=419 (PDIHS) 30 31 34 35
            103 type=420 (PDIHS) 30 31 34 35
            104 type=421 (PDIHS) 30 31 34 35
            105 type=417 (PDIHS) 32 31 34 35
            106 type=417 (PDIHS) 33 31 34 35
            107 type=399 (PDIHS) 31 34 35 36
            108 type=399 (PDIHS) 31 34 35 37
            109 type=399 (PDIHS) 31 34 35 38
            110 type=392 (PDIHS) 34 35 38 39
            111 type=393 (PDIHS) 34 35 38 40
            112 type=394 (PDIHS) 34 35 38 57
            113 type=395 (PDIHS) 34 35 38 57
            114 type=396 (PDIHS) 34 35 38 57
            115 type=393 (PDIHS) 36 35 38 39
            116 type=392 (PDIHS) 36 35 38 40
            117 type=393 (PDIHS) 36 35 38 57
            118 type=393 (PDIHS) 37 35 38 39
            119 type=392 (PDIHS) 37 35 38 40
            120 type=393 (PDIHS) 37 35 38 57
            121 type=397 (PDIHS) 35 38 40 41
            122 type=398 (PDIHS) 35 38 40 41
            123 type=399 (PDIHS) 39 38 40 41
            124 type=397 (PDIHS) 57 38 40 41
            125 type=398 (PDIHS) 57 38 40 41
            126 type=393 (PDIHS) 35 38 57 58
            127 type=400 (PDIHS) 35 38 57 59
            128 type=401 (PDIHS) 35 38 57 59
            129 type=402 (PDIHS) 35 38 57 59
            130 type=393 (PDIHS) 35 38 57 63
            131 type=393 (PDIHS) 39 38 57 58
            132 type=393 (PDIHS) 39 38 57 59
            133 type=392 (PDIHS) 39 38 57 63
            134 type=392 (PDIHS) 40 38 57 58
            135 type=393 (PDIHS) 40 38 57 59
            136 type=403 (PDIHS) 40 38 57 63
            137 type=404 (PDIHS) 40 38 57 63
            138 type=399 (PDIHS) 38 40 41 42
            139 type=397 (PDIHS) 38 40 41 43
            140 type=405 (PDIHS) 38 40 41 43
            141 type=397 (PDIHS) 38 40 41 59
            142 type=398 (PDIHS) 38 40 41 59
            143 type=393 (PDIHS) 40 41 59 57
            144 type=392 (PDIHS) 40 41 59 60
            145 type=403 (PDIHS) 40 41 59 61
            146 type=404 (PDIHS) 40 41 59 61
            147 type=393 (PDIHS) 42 41 59 57
            148 type=393 (PDIHS) 42 41 59 60
            149 type=393 (PDIHS) 42 41 59 61
            150 type=393 (PDIHS) 43 41 59 57
            151 type=393 (PDIHS) 43 41 59 60
            152 type=393 (PDIHS) 43 41 59 61
            153 type=406 (PDIHS) 41 43 44 45
            154 type=406 (PDIHS) 41 43 44 46
            155 type=406 (PDIHS) 56 43 44 45
            156 type=406 (PDIHS) 56 43 44 46
            157 type=407 (PDIHS) 41 43 56 47
            158 type=407 (PDIHS) 41 43 56 55
            159 type=407 (PDIHS) 44 43 56 47
            160 type=407 (PDIHS) 44 43 56 55
            161 type=408 (PDIHS) 43 44 46 47
            162 type=408 (PDIHS) 45 44 46 47
            163 type=409 (PDIHS) 44 46 47 48
            164 type=409 (PDIHS) 44 46 47 56
            165 type=410 (PDIHS) 46 47 48 49
            166 type=410 (PDIHS) 46 47 48 52
            167 type=410 (PDIHS) 56 47 48 49
            168 type=410 (PDIHS) 56 47 48 52
            169 type=411 (PDIHS) 46 47 56 43
            170 type=411 (PDIHS) 46 47 56 55
            171 type=411 (PDIHS) 48 47 56 43
            172 type=411 (PDIHS) 48 47 56 55
            173 type=412 (PDIHS) 47 48 49 50
            174 type=412 (PDIHS) 47 48 49 51
            175 type=412 (PDIHS) 52 48 49 50
            176 type=412 (PDIHS) 52 48 49 51
            177 type=413 (PDIHS) 47 48 52 53
            178 type=413 (PDIHS) 49 48 52 53
            179 type=414 (PDIHS) 48 52 53 54
            180 type=414 (PDIHS) 48 52 53 55
            181 type=414 (PDIHS) 52 53 55 56
            182 type=414 (PDIHS) 54 53 55 56
            183 type=415 (PDIHS) 53 55 56 43
            184 type=415 (PDIHS) 53 55 56 47
            185 type=400 (PDIHS) 38 57 59 41
            186 type=401 (PDIHS) 38 57 59 41
            187 type=402 (PDIHS) 38 57 59 41
            188 type=393 (PDIHS) 38 57 59 60
            189 type=393 (PDIHS) 38 57 59 61
            190 type=393 (PDIHS) 58 57 59 41
            191 type=393 (PDIHS) 58 57 59 60
            192 type=392 (PDIHS) 58 57 59 61
            193 type=393 (PDIHS) 63 57 59 41
            194 type=392 (PDIHS) 63 57 59 60
            195 type=403 (PDIHS) 63 57 59 61
            196 type=404 (PDIHS) 63 57 59 61
            197 type=416 (PDIHS) 38 57 63 64
            198 type=392 (PDIHS) 38 57 63 64
            199 type=391 (PDIHS) 58 57 63 64
            200 type=416 (PDIHS) 59 57 63 64
            201 type=392 (PDIHS) 59 57 63 64
            202 type=416 (PDIHS) 41 59 61 62
            203 type=392 (PDIHS) 41 59 61 62
            204 type=416 (PDIHS) 57 59 61 62
            205 type=392 (PDIHS) 57 59 61 62
            206 type=391 (PDIHS) 60 59 61 62
      Improper Dih.:
         nr: 50
         iatoms:
            0 type=422 (PIDIHS) 8 10 11 23
            1 type=423 (PIDIHS) 10 13 11 12
            2 type=423 (PIDIHS) 14 16 15 19
            3 type=422 (PIDIHS) 15 17 16 18
            4 type=423 (PIDIHS) 19 22 20 21
            5 type=422 (PIDIHS) 41 43 44 56
            6 type=423 (PIDIHS) 43 46 44 45
            7 type=423 (PIDIHS) 47 49 48 52
            8 type=422 (PIDIHS) 48 50 49 51
            9 type=423 (PIDIHS) 52 55 53 54
      LJ-14:
         nr: 474
         iatoms:
            0 type=424 (LJ14) 0 6
            1 type=425 (LJ14) 0 7
            2 type=426 (LJ14) 0 24
            3 type=427 (LJ14) 1 3
            4 type=427 (LJ14) 1 4
            5 type=427 (LJ14) 1 5
            6 type=428 (LJ14) 2 8
            7 type=429 (LJ14) 2 25
            8 type=428 (LJ14) 2 26
            9 type=430 (LJ14) 2 30
            10 type=431 (LJ14) 3 6
            11 type=432 (LJ14) 3 7
            12 type=429 (LJ14) 3 24
            13 type=431 (LJ14) 4 6
            14 type=432 (LJ14) 4 7
            15 type=429 (LJ14) 4 24
            16 type=433 (LJ14) 5 9
            17 type=434 (LJ14) 5 10
            18 type=429 (LJ14) 5 27
            19 type=426 (LJ14) 5 28
            20 type=435 (LJ14) 5 31
            21 type=429 (LJ14) 6 8
            22 type=431 (LJ14) 6 25
            23 type=429 (LJ14) 6 26
            24 type=432 (LJ14) 6 30
            25 type=436 (LJ14) 7 11
            26 type=436 (LJ14) 7 23
            27 type=432 (LJ14) 7 25
            28 type=432 (LJ14) 7 27
            29 type=425 (LJ14) 7 28
            30 type=437 (LJ14) 7 30
            31 type=438 (LJ14) 8 12
            32 type=434 (LJ14) 8 13
            33 type=439 (LJ14) 8 14
            34 type=434 (LJ14) 8 22
            35 type=429 (LJ14) 8 25
            36 type=427 (LJ14) 8 29
            37 type=430 (LJ14) 8 30
            38 type=440 (LJ14) 9 11
            39 type=440 (LJ14) 9 23
            40 type=433 (LJ14) 9 24
            41 type=441 (LJ14) 9 27
            42 type=442 (LJ14) 9 28
            43 type=443 (LJ14) 10 15
            44 type=443 (LJ14) 10 20
            45 type=434 (LJ14) 10 24
            46 type=444 (LJ14) 10 27
            47 type=445 (LJ14) 10 28
            48 type=446 (LJ14) 11 15
            49 type=443 (LJ14) 11 22
            50 type=439 (LJ14) 11 26
            51 type=447 (LJ14) 12 14
            52 type=447 (LJ14) 12 23
            53 type=448 (LJ14) 13 16
            54 type=448 (LJ14) 13 19
            55 type=448 (LJ14) 13 22
            56 type=449 (LJ14) 14 17
            57 type=449 (LJ14) 14 18
            58 type=446 (LJ14) 14 20
            59 type=447 (LJ14) 15 21
            60 type=443 (LJ14) 15 22
            61 type=443 (LJ14) 16 20
            62 type=443 (LJ14) 16 23
            63 type=450 (LJ14) 17 19
            64 type=450 (LJ14) 18 19
            65 type=443 (LJ14) 19 23
            66 type=447 (LJ14) 21 23
            67 type=439 (LJ14) 23 26
            68 type=427 (LJ14) 24 29
            69 type=451 (LJ14) 24 32
            70 type=451 (LJ14) 24 33
            71 type=430 (LJ14) 24 34
            72 type=431 (LJ14) 25 27
            73 type=424 (LJ14) 25 28
            74 type=452 (LJ14) 25 31
            75 type=435 (LJ14) 26 31
            76 type=427 (LJ14) 27 29
            77 type=432 (LJ14) 27 30
            78 type=425 (LJ14) 28 30
            79 type=430 (LJ14) 30 35
            80 type=452 (LJ14) 31 36
            81 type=452 (LJ14) 31 37
            82 type=435 (LJ14) 31 38
            83 type=451 (LJ14) 32 35
            84 type=451 (LJ14) 33 35
            85 type=432 (LJ14) 34 39
            86 type=437 (LJ14) 34 40
            87 type=430 (LJ14) 34 57
            88 type=428 (LJ14) 35 41
            89 type=429 (LJ14) 35 58
            90 type=428 (LJ14) 35 59
            91 type=426 (LJ14) 35 63
            92 type=431 (LJ14) 36 39
            93 type=432 (LJ14) 36 40
            94 type=429 (LJ14) 36 57
            95 type=431 (LJ14) 37 39
            96 type=432 (LJ14) 37 40
            97 type=429 (LJ14) 37 57
            98 type=433 (LJ14) 38 42
            99 type=434 (LJ14) 38 43
            100 type=429 (LJ14) 38 60
            101 type=426 (LJ14) 38 61
            102 type=427 (LJ14) 38 64
            103 type=429 (LJ14) 39 41
            104 type=431 (LJ14) 39 58
            105 type=429 (LJ14) 39 59
            106 type=424 (LJ14) 39 63
            107 type=436 (LJ14) 40 44
            108 type=436 (LJ14) 40 56
            109 type=432 (LJ14) 40 58
            110 type=432 (LJ14) 40 60
            111 type=425 (LJ14) 40 61
            112 type=425 (LJ14) 40 63
            113 type=438 (LJ14) 41 45
            114 type=434 (LJ14) 41 46
            115 type=439 (LJ14) 41 47
            116 type=434 (LJ14) 41 55
            117 type=429 (LJ14) 41 58
            118 type=427 (LJ14) 41 62
            119 type=426 (LJ14) 41 63
            120 type=440 (LJ14) 42 44
            121 type=440 (LJ14) 42 56
            122 type=433 (LJ14) 42 57
            123 type=441 (LJ14) 42 60
            124 type=442 (LJ14) 42 61
            125 type=443 (LJ14) 43 48
            126 type=443 (LJ14) 43 53
            127 type=434 (LJ14) 43 57
            128 type=444 (LJ14) 43 60
            129 type=445 (LJ14) 43 61
            130 type=446 (LJ14) 44 48
            131 type=443 (LJ14) 44 55
            132 type=439 (LJ14) 44 59
            133 type=447 (LJ14) 45 47
            134 type=447 (LJ14) 45 56
            135 type=448 (LJ14) 46 49
            136 type=448 (LJ14) 46 52
            137 type=448 (LJ14) 46 55
            138 type=449 (LJ14) 47 50
            139 type=449 (LJ14) 47 51
            140 type=446 (LJ14) 47 53
            141 type=447 (LJ14) 48 54
            142 type=443 (LJ14) 48 55
            143 type=443 (LJ14) 49 53
            144 type=443 (LJ14) 49 56
            145 type=450 (LJ14) 50 52
            146 type=450 (LJ14) 51 52
            147 type=443 (LJ14) 52 56
            148 type=447 (LJ14) 54 56
            149 type=439 (LJ14) 56 59
            150 type=427 (LJ14) 57 62
            151 type=431 (LJ14) 58 60
            152 type=424 (LJ14) 58 61
            153 type=427 (LJ14) 58 64
            154 type=427 (LJ14) 59 64
            155 type=427 (LJ14) 60 62
            156 type=424 (LJ14) 60 63
            157 type=453 (LJ14) 61 63
      Constraint:
         nr: 210
         iatoms:
            0 type=454 (CONSTR) 0 1
            1 type=455 (CONSTR) 0 2
            2 type=456 (CONSTR) 2 3
            3 type=456 (CONSTR) 2 4
            4 type=457 (CONSTR) 2 5
            5 type=456 (CONSTR) 5 6
            6 type=455 (CONSTR) 5 7
            7 type=457 (CONSTR) 5 24
            8 type=455 (CONSTR) 7 8
            9 type=456 (CONSTR) 8 9
            10 type=458 (CONSTR) 8 10
            11 type=457 (CONSTR) 8 26
            12 type=459 (CONSTR) 10 11
            13 type=460 (CONSTR) 10 23
            14 type=461 (CONSTR) 11 12
            15 type=462 (CONSTR) 11 13
            16 type=463 (CONSTR) 13 14
            17 type=464 (CONSTR) 14 15
            18 type=465 (CONSTR) 14 23
            19 type=466 (CONSTR) 15 16
            20 type=467 (CONSTR) 15 19
            21 type=468 (CONSTR) 16 17
            22 type=468 (CONSTR) 16 18
            23 type=469 (CONSTR) 19 20
            24 type=461 (CONSTR) 20 21
            25 type=469 (CONSTR) 20 22
            26 type=470 (CONSTR) 22 23
            27 type=456 (CONSTR) 24 25
            28 type=457 (CONSTR) 24 26
            29 type=455 (CONSTR) 24 30
            30 type=456 (CONSTR) 26 27
            31 type=455 (CONSTR) 26 28
            32 type=454 (CONSTR) 28 29
            33 type=471 (CONSTR) 30 31
            34 type=472 (CONSTR) 31 32
            35 type=472 (CONSTR) 31 33
            36 type=471 (CONSTR) 31 34
            37 type=455 (CONSTR) 34 35
            38 type=456 (CONSTR) 35 36
            39 type=456 (CONSTR) 35 37
            40 type=457 (CONSTR) 35 38
            41 type=456 (CONSTR) 38 39
            42 type=455 (CONSTR) 38 40
            43 type=457 (CONSTR) 38 57
            44 type=455 (CONSTR) 40 41
            45 type=456 (CONSTR) 41 42
            46 type=458 (CONSTR) 41 43
            47 type=457 (CONSTR) 41 59
            48 type=459 (CONSTR) 43 44
            49 type=460 (CONSTR) 43 56
            50 type=461 (CONSTR) 44 45
            51 type=462 (CONSTR) 44 46
            52 type=463 (CONSTR) 46 47
            53 type=464 (CONSTR) 47 48
            54 type=465 (CONSTR) 47 56
            55 type=466 (CONSTR) 48 49
            56 type=467 (CONSTR) 48 52
            57 type=468 (CONSTR) 49 50
            58 type=468 (CONSTR) 49 51
            59 type=469 (CONSTR) 52 53
            60 type=461 (CONSTR) 53 54
            61 type=469 (CONSTR) 53 55
            62 type=470 (CONSTR) 55 56
            63 type=456 (CONSTR) 57 58
            64 type=457 (CONSTR) 57 59
            65 type=455 (CONSTR) 57 63
            66 type=456 (CONSTR) 59 60
            67 type=455 (CONSTR) 59 61
            68 type=454 (CONSTR) 61 62
            69 type=454 (CONSTR) 63 64
   moltype (1):
      name="Na_tip4pew"
      atoms:
         atom (1):
            atom[     0]={type= 17, typeB= 17, ptype=    Atom, m= 2.29900e+01, q= 1.00000e+00, mB= 2.29900e+01, qB= 1.00000e+00, resind=    0, atomnumber= 11}
         atom (1):
            atom[0]={name="Na"}
         type (1):
            type[0]={name="Na_tip4pew",nameB="Na_tip4pew"}
         residue (1):
            residue[0]={name="NA", nr=1, ic=' '}
      cgs:
         nr=1
         cgs[0]={0..0}
      excls:
         nr=1
         nra=1
         excls[0][0..0]={0}
   moltype (2):
      name="Cl_tip4pew"
      atoms:
         atom (1):
            atom[     0]={type= 18, typeB= 18, ptype=    Atom, m= 3.54500e+01, q=-1.00000e+00, mB= 3.54500e+01, qB=-1.00000e+00, resind=    0, atomnumber= 17}
         atom (1):
            atom[0]={name="Cl"}
         type (1):
            type[0]={name="Cl_tip4pew",nameB="Cl_tip4pew"}
         residue (1):
            residue[0]={name="CL", nr=1, ic=' '}
      cgs:
         nr=1
         cgs[0]={0..0}
      excls:
         nr=1
         nra=1
         excls[0][0..0]={0}
grp[T-Coupling  ] nr=1, name=[ System]
grp[Energy Mon. ] nr=1, name=[ System]
grp[Acceleration] nr=1, name=[ rest]
grp[Freeze      ] nr=1, name=[ rest]
grp[User1       ] nr=1, name=[ rest]
grp[User2       ] nr=1, name=[ rest]
grp[VCM         ] nr=1, name=[ rest]
grp[Compressed X] nr=1, name=[ System]
grp[Or. Res. Fit] nr=1, name=[ rest]
grp[QMMM        ] nr=1, name=[ rest]
   grpname (8):
      grpname[0]={name="System"}
      grpname[1]={name="RNA"}
      grpname[2]={name="NA"}
      grpname[3]={name="CL"}
      grpname[4]={name="Ion"}
      grpname[5]={name="NA"}
      grpname[6]={name="CL"}
      grpname[7]={name="rest"}
   groups           T-Cou Energ Accel Freez User1 User2   VCM Compr Or. R  QMMM
   allocated            0     0     0     0     0     0     0     0     0     0
   groupnr[    *] =    0     0     0     0     0     0     0     0     0     0 
box (3x3):
   box[    0]={ 3.50000e+00,  0.00000e+00,  0.00000e+00}
   box[    1]={ 0.00000e+00,  3.50000e+00,  0.00000e+00}
   box[    2]={ 0.00000e+00,  0.00000e+00,  3.50000e+00}
box_rel (3x3):
   box_rel[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   box_rel[    1]={ 0.00000e+00,  1.00000e+00,  0.00000e+00}
   box_rel[    2]={ 0.00000e+00,  0.00000e+00,  1.00000e+00}
boxv (3x3):
   boxv[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   boxv[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   boxv[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
pres_prev (3x3):
   pres_prev[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   pres_prev[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   pres_prev[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
svir_prev (3x3):
   svir_prev[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   svir_prev[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   svir_prev[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
fvir_prev (3x3):
   fvir_prev[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   fvir_prev[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   fvir_prev[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
nosehoover_xi: not available
x (74x3):
   x[    0]={ 2.24620e+00,  1.59080e+00,  1.72810e+00}
   x[    1]={ 2.32220e+00,  1.52680e+00,  1.74410e+00}
   x[    2]={ 2.29820e+00,  1.72380e+00,  1.71510e+00}
   x[    3]={ 2.36320e+00,  1.72480e+00,  1.63910e+00}
   x[    4]={ 2.34620e+00,  1.74680e+00,  1.80010e+00}
   x[    5]={ 2.18420e+00,  1.82180e+00,  1.69010e+00}
   x[    6]={ 2.22320e+00,  1.91380e+00,  1.70110e+00}
   x[    7]={ 2.13020e+00,  1.79680e+00,  1.55710e+00}
   x[    8]={ 1.98920e+00,  1.81680e+00,  1.55710e+00}
   x[    9]={ 1.96320e+00,  1.88380e+00,  1.48710e+00}
   x[   10]={ 1.92320e+00,  1.68980e+00,  1.51910e+00}
   x[   11]={ 1.97820e+00,  1.56480e+00,  1.51310e+00}
   x[   12]={ 2.07420e+00,  1.54580e+00,  1.53610e+00}
   x[   13]={ 1.89520e+00,  1.47280e+00,  1.47510e+00}
   x[   14]={ 1.77620e+00,  1.54180e+00,  1.45510e+00}
   x[   15]={ 1.64820e+00,  1.50080e+00,  1.41410e+00}
   x[   16]={ 1.61720e+00,  1.37280e+00,  1.38510e+00}
   x[   17]={ 1.68720e+00,  1.30180e+00,  1.39210e+00}
   x[   18]={ 1.52420e+00,  1.34980e+00,  1.35610e+00}
   x[   19]={ 1.55320e+00,  1.59480e+00,  1.40410e+00}
   x[   20]={ 1.58420e+00,  1.72180e+00,  1.43410e+00}
   x[   21]={ 1.50920e+00,  1.78780e+00,  1.42610e+00}
   x[   22]={ 1.70020e+00,  1.77180e+00,  1.47310e+00}
   x[   23]={ 1.79220e+00,  1.67480e+00,  1.48110e+00}
   x[   24]={ 2.06320e+00,  1.80780e+00,  1.78210e+00}
   x[   25]={ 2.04620e+00,  1.71680e+00,  1.81710e+00}
   x[   26]={ 1.95120e+00,  1.86680e+00,  1.69710e+00}
   x[   27]={ 1.85920e+00,  1.84680e+00,  1.73110e+00}
   x[   28]={ 1.95920e+00,  2.00780e+00,  1.69410e+00}
   x[   29]={ 1.93520e+00,  2.04480e+00,  1.78410e+00}
   x[   30]={ 2.08320e+00,  1.87680e+00,  1.90510e+00}
   x[   31]={ 2.00820e+00,  1.82480e+00,  2.03610e+00}
   x[   32]={ 2.06220e+00,  1.89480e+00,  2.15510e+00}
   x[   33]={ 2.01620e+00,  1.67580e+00,  2.04110e+00}
   x[   34]={ 1.85820e+00,  1.86880e+00,  2.00910e+00}
   x[   35]={ 1.82920e+00,  2.00980e+00,  1.99610e+00}
   x[   36]={ 1.88320e+00,  2.04480e+00,  1.92010e+00}
   x[   37]={ 1.85720e+00,  2.05480e+00,  2.08110e+00}
   x[   38]={ 1.68020e+00,  2.02980e+00,  1.97110e+00}
   x[   39]={ 1.66320e+00,  2.12880e+00,  1.98210e+00}
   x[   40]={ 1.64920e+00,  1.97980e+00,  1.83810e+00}
   x[   41]={ 1.51920e+00,  1.92080e+00,  1.83810e+00}
   x[   42]={ 1.46120e+00,  1.96280e+00,  1.76810e+00}
   x[   43]={ 1.53220e+00,  1.77880e+00,  1.80010e+00}
   x[   44]={ 1.64620e+00,  1.70280e+00,  1.79410e+00}
   x[   45]={ 1.73720e+00,  1.73880e+00,  1.81710e+00}
   x[   46]={ 1.62620e+00,  1.58080e+00,  1.75610e+00}
   x[   47]={ 1.48920e+00,  1.57380e+00,  1.73610e+00}
   x[   48]={ 1.40320e+00,  1.47080e+00,  1.69510e+00}
   x[   49]={ 1.44620e+00,  1.34680e+00,  1.66610e+00}
   x[   50]={ 1.54320e+00,  1.32480e+00,  1.67310e+00}
   x[   51]={ 1.38120e+00,  1.27680e+00,  1.63710e+00}
   x[   52]={ 1.27220e+00,  1.49880e+00,  1.68510e+00}
   x[   53]={ 1.23020e+00,  1.62180e+00,  1.71510e+00}
   x[   54]={ 1.13120e+00,  1.63680e+00,  1.70710e+00}
   x[   55]={ 1.30020e+00,  1.72680e+00,  1.75410e+00}
   x[   56]={ 1.43020e+00,  1.69480e+00,  1.76210e+00}
   x[   57]={ 1.58620e+00,  1.95380e+00,  2.06310e+00}
   x[   58]={ 1.62120e+00,  1.86680e+00,  2.09810e+00}
   x[   59]={ 1.46020e+00,  1.94180e+00,  1.97810e+00}
   x[   60]={ 1.39420e+00,  1.87580e+00,  2.01210e+00}
   x[   61]={ 1.39020e+00,  2.06580e+00,  1.97510e+00}
   x[   62]={ 1.35020e+00,  2.08380e+00,  2.06510e+00}
   x[   63]={ 1.56520e+00,  2.02180e+00,  2.18610e+00}
   x[   64]={ 1.50320e+00,  1.96780e+00,  2.24310e+00}
   x[   65]={ 3.53000e-01,  7.70000e-02,  1.22800e+00}
   x[   66]={ 5.18000e-01,  2.45320e+00,  1.64000e-01}
   x[   67]={ 3.94000e-01,  2.61220e+00,  2.27420e+00}
   x[   68]={ 3.21320e+00,  1.38500e+00,  2.80420e+00}
   x[   69]={ 3.25420e+00,  2.67820e+00,  4.90000e-01}
   x[   70]={ 1.12200e+00,  6.65000e-01,  2.33520e+00}
   x[   71]={ 1.26400e+00,  3.20120e+00,  1.20400e+00}
   x[   72]={ 2.20620e+00,  1.60100e+00,  3.33420e+00}
   x[   73]={ 2.29520e+00,  3.20520e+00,  1.50100e+00}
v (74x3):
   v[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    3]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    4]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    5]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    6]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    7]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    8]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[    9]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   10]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   11]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   12]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   13]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   14]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   15]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   16]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   17]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   18]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   19]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   20]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   21]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   22]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   23]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   24]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   25]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   26]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   27]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   28]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   29]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   30]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   31]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   32]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   33]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   34]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   35]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   36]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   37]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   38]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   39]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   40]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   41]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   42]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   43]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   44]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   45]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   46]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   47]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   48]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   49]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   50]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   51]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   52]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   53]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   54]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   55]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   56]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   57]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   58]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   59]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   60]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   61]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   62]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   63]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   64]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   65]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   66]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   67]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   68]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   69]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   70]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   71]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   72]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   v[   73]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
Group statistics
T-Coupling  :      74  (total 74 atoms)
Energy Mon. :      74  (total 74 atoms)
Acceleration:      74  (total 74 atoms)
Freeze      :      74  (total 74 atoms)
User1       :      74  (total 74 atoms)
User2       :      74  (total 74 atoms)
VCM         :      74  (total 74 atoms)
Compressed X:      74  (total 74 atoms)
Or. Res. Fit:      74  (total 74 atoms)
QMMM        :      74  (total 74 atoms)
