* LIGAND DATABASE FILE (OPLS2005)
*
001     105   110    200    331     598
    1     0 S   NP   _N1_     1    30.18501    99.61594   -24.26090
    2     1 S   H    _HN1     2     1.02850    71.56746   -66.11989
    3     1 S   H    _H1_     3     1.02751    50.91766   161.48202
    4     1 S   H    _H2_     4     1.03477   154.12778  -159.82331
    5     1 S   CT   _CA1     5     1.50127    91.51575    45.35243
    6     5 S   HC   _HA1     6     1.09541   104.85949   107.20354
    7     5 S   CO3  _C1_     7     1.53691   113.44632   -13.32947
    8     7 S   O2Z  _O11     8     1.26403   115.10281   -28.59419
    9     7 S   O2Z  _O12     9     1.26244   115.05574   150.86883
   10     5 S   CT   _CB1    10     1.53003   107.39792  -134.28674
   11    10 S   HC   HB11    11     1.09516   109.47468   -38.49237
   12    10 S   HC   HB12    12     1.09840   110.44980    77.10144
   13    10 S   CT   _CG1    13     1.53215   113.06125  -160.95560
   14    13 S   HC   HG11    14     1.09542   110.95289   -92.30882
   15    13 S   HC   HG12    15     1.09611   111.51499    27.02957
   16    13 S   C    _CD1    16     1.51545   109.27044   147.64486
   17    16 S   O    _OE1    17     1.22800   121.83462    86.40924
   18    16 S   N    _N2_    18     1.38572   112.52430   -90.25649
   19    18 S   H    _HN2    19     1.01619   119.13969    -5.04228
   20    18 S   CT1  _CA2    20     1.46245   123.59434   173.20745
   21    20 S   HC   _HA2    21     1.09709   109.24402    -9.09516
   22    20 S   C    _C2_    22     1.53853   108.95906  -124.97095
   23    22 S   O    _O2_    23     1.23083   122.03292  -157.62630
   24    20 S   CT   _CB2    32     1.53526   111.66597   113.31309
   25    24 S   HC   HB21    33     1.09482   108.83131    56.46116
   26    24 S   HC   HB22    34     1.09415   110.13508   175.42564
   27    22 S   N    _N3_    24     1.38306   114.10169    28.91764
   28    27 S   H    _HN3    25     1.01419   119.09081    -1.90721
   29    24 S   S    _SG2    35     1.82514   111.69873   -63.97019
   30    27 S   CT   _CA3    26     1.45326   123.48448   178.42853
   31    30 S   HC   HA31    27     1.09551   107.20451   -70.34024
   32    30 S   HC   HA32    28     1.09556   108.23207    46.02261
   33    29 S   CT   _C31    36     1.88617   102.08131  -177.00030
   34    30 S   CO3  _C3_    29     1.53070   114.37625   168.12245
   35    34 S   O2Z  _O31    30     1.26438   116.36198    -6.12433
   36    34 S   O2Z  _O32    31     1.26414   114.42404   173.97208
   37    33 S   CO4  _C19    37     1.52718   104.07259    82.00730
   38    37 S   O    _O38    38     1.22945   122.58945   -92.71818
   39    33 S   CT   _C30    94     1.55638   114.90357   -38.46907
   40    39 S   HC   _H59    95     1.09562   109.93933    57.33959
   41    37 S   CA   _C12    39     1.47963   117.68779    82.71961
   42    39 S   CT   _C33    96     1.53947   114.55979   174.73869
   43    42 S   HC   _H63    97     1.09284   112.61375    62.11716
   44    42 S   HC   _H64    98     1.09311   112.19245   -60.21703
   45    42 S   HC   _H65    99     1.09634   109.74042   180.00000
   46    41 S   CA   _C10    40     1.40365   118.22282    21.17017
   47    46 S   CA   _C6_    41     1.41184   116.87103  -177.19411
   48    47 S   HA   _H48    42     1.08879   120.84907   179.39607
   49    46 S   CMA  _C16    85     1.51629   123.23388     4.72949
   50    49 S   OM   _O33    86     1.26920   119.37758   162.58102
   51    47 S   CA   _C4_    43     1.39820   122.10216    -0.68300
   52    51 S   HA   _H46    44     1.08819   118.67435  -179.81233
   53    33 S   CM   _C20    87     1.51840   106.81561  -159.71754
   54    51 S   CA   _C8_    45     1.39755   120.89755    -0.10468
   55    53 S   CT   _C23    88     1.53296   113.56587    90.58722
   56    55 S   HC   _H50    89     1.09716   108.26991   103.51574
   57    55 S   HC   _H51    90     1.09727   110.25769  -139.14638
   58    54 S   CA   _C9_    46     1.47343   119.87107  -179.46551
   59    41 S   CA   _C14    82     1.41336   120.69306  -157.11346
   60    55 S   CT   _C27    91     1.53537   113.19751   -17.78241
   61    60 S   HC   _H56    92     1.09451   109.46825   -65.82689
   62    58 S   CA   _C5_    47     1.40345   119.60594   106.19333
   63    62 S   HA   _H47    48     1.08855   120.21457     0.02798
   64    59 S   OH   _O43    83     1.37491   122.04432    -1.23907
   65    64 S   HO   _H70    84     0.97316   109.15323    -4.16123
   66    60 S   OS   _O41    93     1.43047   112.48543    54.71403
   67    60 S   CT   _C34   100     1.53047   110.81377   174.76149
   68    67 S   HC   _H66   101     1.09709   109.81868    47.66432
   69    67 S   HC   _H67   102     1.09780   109.43105   -70.47694
   70    62 S   CA   _C7_    49     1.39535   121.01888  -179.64282
   71    70 S   HA   _H49    50     1.08732   118.57353   179.36542
   72    67 S   CO3  _C21   103     1.53461   115.60484   168.00316
   73    72 S   O2Z  _O34   104     1.26581   113.99205   165.69502
   74    72 S   O2Z  _O39   105     1.26161   116.88151   -15.05004
   75    70 S   CA   _C11    51     1.39860   120.21741    -0.28462
   76    75 S   CA   _C13    52     1.39786   119.97329    -0.23821
   77    58 S   CA   _C15    53     1.40866   122.14799   -73.64681
   78    76 S   CO4  _C18    56     1.48341   119.09506  -178.74664
   79    78 S   O    _O37    57     1.22526   119.22191  -158.76577
   80    77 S   OH   _O44    54     1.37380   117.08065    -0.85638
   81    80 S   HO   _H71    55     0.97340   109.29309   175.04500
   82    78 S   CT   _C26    58     1.52516   116.52615    23.56227
   83    82 S   HC   _H55    59     1.09889   106.13567    67.81788
   84    82 S   CT   _C25    60     1.53087   109.03676   -50.42400
   85    84 S   HC   _H54    61     1.09949   107.38487   168.01391
   86    75 S   CO4  _C17    62     1.48234   118.66277   177.98627
   87    86 S   O    _O36    63     1.22859   120.23191    -0.94709
   88    84 S   CT   _C24    64     1.53344   111.30913   -73.16077
   89    88 S   HC   _H52    65     1.09810   109.43632    69.39119
   90    88 S   HC   _H53    66     1.09695   110.12137  -173.88224
   91    88 S   CT   _C28    67     1.53392   110.86736   -51.71376
   92    91 S   HC   _H57    68     1.09742   109.36127   -65.11893
   93    91 S   OS   _O42    69     1.43437   109.87080    54.29483
   94    91 S   CT   _C35    76     1.52743   110.65854   173.43084
   95    94 S   HC   _H68    77     1.09711   109.78513    48.27379
   96    94 S   HC   _H69    78     1.09776   109.56853   -69.97077
   97    82 S   CT   _C29    70     1.53998   114.86130  -172.32977
   98    97 S   HC   _H58    71     1.09922   108.33146  -177.69327
   99    94 S   CO3  _C22    79     1.53332   115.49333   168.46076
  100    99 S   O2Z  _O35    80     1.26554   114.02840   165.75213
  101    99 S   O2Z  _O40    81     1.26131   116.76626   -15.12723
  102    97 S   CT   _C32    72     1.52441   114.70334   -59.29623
  103   102 S   HC   _H60    73     1.09310   112.56053    73.58306
  104   102 S   HC   _H61    74     1.09396   111.43585   -49.65168
  105   102 S   HC   _H62    75     1.09623   109.57450  -169.31163
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  19   2   1   1  14   5  13   7  12   6   3   2   1  11   9   4
   8   2   7   3   7  10   9   5   4  12   4   8   5   8   4   1
   1   4   5   4   3   8   3   2   1   1  11  11   6  12   4   1
   1  16   8  13   7   6   1  10   5   4  11   6  10   6   4   3
   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    53    55    66    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    59    49    50    53    55    56    57    60    66    39    40    42    43    44    45  
   35    36  
   36  
    0  
   38    41    46    47    54    59    64    49    53    55    66    39    40    42  
   41    46    59    53    39  
   40    42    43    44    45    67    41    49    53    55    60    61    66  
   42    43    44    45    53    60    66  
   46    47    48    51    54    58    59    64    65    49    50    53  
   43    44    45    53    60    66  
   44    45    66  
   45    66  
   66  
   47    48    51    52    54    59    64    49    50    53    55  
   48    51    52    54    58    59    49    50    53  
   51    52    54    49  
   50    53    55    56    57    60    51    59  
   53    55  
   52    54    58    62    77    59    64  
   54    58    59  
   55    56    57    60    61    66    67  
   58    62    63    70    76    77    80    59    64    65  
   56    57    60    61    66    67    68    69    72  
   57    60    61    66    67  
   60    61    66    67  
   62    63    70    71    75    76    77    80    81    78    59    64  
   64    65    62    77  
   61    66    67    68    69    72    73    74  
   66    67    68    69    72  
   63    70    71    75    76    77    80    86  
   70    71    75    77  
   65  
    0  
   67    68    69    72  
   68    69    72    73    74  
   69    72    73    74  
   72    73    74  
   71    75    76    77    78    84    86    87  
   75    76    86  
   73    74  
   74  
    0  
   76    77    80    78    79    82    84    85    86    87    88  
   77    80    81    78    79    82    83    84    86    87    97  
   80    81    78    79    82    86  
   79    82    83    84    85    86    88    93    97    98   102    80  
   82    83    84    97  
   81  
    0  
   83    84    85    86    87    88    89    90    91    93    97    98   102   103   104   105  
   84    85    86    88    93    97    98   102  
   85    86    87    88    89    90    91    92    93    97    98   102    94  
   86    87    88    89    90    91    97  
   87    88    89    90    91    97  
   88  
   89    90    91    92    93    97    94    95    96    99  
   90    91    92    93    94  
   91    92    93    94  
   92    93    97    98   102    94    95    96    99   100   101  
   93    97    94    95    96    99  
   97    98   102   103   104   105    94    95    96    99  
   95    96    99   100   101    97  
   96    99   100   101  
   99   100   101  
   98   102   103   104   105  
  102   103   104   105  
  100   101  
  101  
    0  
  103   104   105  
  104   105  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    53   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    59   469.000  1.400
   46    47   469.000  1.400
   46    49   320.000  1.460
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    58   375.000  1.464
   54    59   469.000  1.400
   58    62   469.000  1.400
   58    77   469.000  1.400
   62    63   367.000  1.080
   62    70   469.000  1.400
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   469.000  1.400
   75    86   310.000  1.470
   76    77   469.000  1.400
   76    78   310.000  1.470
   77    80   450.000  1.364
   80    81   553.000  0.945
   78    79   570.000  1.229
   78    82   317.000  1.522
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    97   268.000  1.529
   84    85   340.000  1.090
   84    86   317.000  1.522
   84    88   268.000  1.529
   86    87   570.000  1.229
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   320.000  1.410
   91    94   268.000  1.529
   93    97   320.000  1.410
   97    98   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   317.000  1.522
   99   100   656.000  1.250
   99   101   656.000  1.250
   59    64   450.000  1.364
   64    65   553.000  0.945
   49    50   745.000  1.250
   49    53   465.000  1.376
   53    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    66   320.000  1.410
   60    67   268.000  1.529
   66    39   320.000  1.410
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    53    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    53    49    70.00000  124.00000
   33    53    55    65.00000  117.92700
   33    39    66    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    46    60.00000  119.52600
   37    41    59    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    47    63.00000  120.00000
   41    46    49    60.00000  120.93500
   41    59    54    63.00000  120.00000
   41    59    64    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    85.00000  114.86500
   46    49    53    60.00000  123.20500
   47    51    52    35.00000  120.00000
   47    51    54    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    54    58    60.00000  122.76000
   51    54    59    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    58    62    60.00000  122.76000
   54    58    77    60.00000  122.76000
   54    59    64    70.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    70    63.00000  120.00000
   58    77    76    63.00000  120.00000
   58    77    80    70.00000  120.00000
   62    70    71    35.00000  120.00000
   62    70    75    63.00000  120.00000
   70    62    63    35.00000  120.00000
   70    75    76    63.00000  120.00000
   70    75    86    60.00000  119.52600
   75    70    71    35.00000  120.00000
   75    76    77    63.00000  120.00000
   75    76    78    60.00000  119.52600
   75    86    84    65.00000  115.47100
   75    86    87    75.00000  123.78400
   76    77    80    70.00000  120.00000
   76    78    79    75.00000  123.78400
   76    78    82    65.00000  115.47100
   77    58    62    63.00000  120.00000
   77    80    81    35.00000  113.00000
   78    76    77    60.00000  119.52600
   78    82    83    35.00000  109.50000
   78    82    84    63.00000  111.10000
   78    82    97    63.00000  111.10000
   82    78    79    80.00000  120.40000
   82    84    85    37.50000  110.70000
   82    84    86    63.00000  111.10000
   82    84    88    58.35000  112.70000
   82    97    93    50.00000  109.50000
   82    97    98    37.50000  110.70000
   82    97   102    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    80.00000  120.40000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    58.35000  112.70000
   86    75    76    60.00000  119.52600
   86    84    85    35.00000  109.50000
   88    84    85    37.50000  110.70000
   88    84    86    63.00000  111.10000
   88    91    92    37.50000  110.70000
   88    91    93    50.00000  109.50000
   88    91    94    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   91    93    97    60.00000  109.50000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    99    70.00000  109.69300
   93    91    92    35.00000  109.50000
   93    97    98    35.00000  109.50000
   93    97   102    50.00000  109.50000
   97    82    83    37.50000  110.70000
   97    82    84    58.35000  112.70000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    37.50000  110.70000
  102    97    98    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    50.00000  109.50000
   94    99   100    70.00000  117.00000
   94    99   101    70.00000  117.00000
   96    94    95    33.00000  107.80000
   99    94    95    35.00000  109.50000
   99    94    96    35.00000  109.50000
  101    99   100    80.00000  126.00000
   59    41    46    63.00000  120.00000
   59    54    58    60.00000  122.76000
   59    64    65    35.00000  113.00000
   49    46    47    60.00000  120.93500
   49    53    55    70.00000  124.00000
   53    33    37    70.00000  109.06800
   53    49    50    65.00000  137.10300
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    60    70.00000  112.02700
   55    60    61    37.50000  110.70000
   55    60    66    50.00000  109.50000
   55    60    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    39    60.00000  109.50000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    72    70.00000  109.69300
   66    60    61    35.00000  109.50000
   66    39    40    35.00000  109.50000
   66    39    42    50.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    53    70.00000  112.02700
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    66    50.00000  109.50000
   67    72    73    70.00000  117.00000
   67    72    74    70.00000  117.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   74    72    73    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
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   59    54    58    62  -0.19450  1.0 1.0
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   59    54    58    77  -0.19450  1.0 1.0
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   49    53    55    56   0.00000  1.0 1.0
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   53    33    37    38   0.30150 -1.0 2.0
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   53    33    39    40   0.15000  1.0 3.0
   53    33    39    42   0.34400  1.0 1.0
   53    33    39    42   0.09450 -1.0 2.0
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   53    55    60    61   0.15000  1.0 3.0
   53    55   -60    66   0.61850  1.0 1.0
   53    55   -60    66  -0.22750 -1.0 2.0
   53    55   -60    66   0.15300  1.0 3.0
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   55    60    66    39   0.06250  1.0 1.0
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   55    60    67    69   0.15000  1.0 3.0
   55    60    67    72  -1.63150  1.0 1.0
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   55    60    67    72   0.24500  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    66   0.23400  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    66   0.23400  1.0 3.0
   57    55    60    67   0.15000  1.0 3.0
   60    66   -39    33   0.06250  1.0 1.0
   60    66   -39    33  -0.01100 -1.0 2.0
   60    66   -39    33   0.28050  1.0 3.0
   60    66    39    40   0.37050  1.0 3.0
   60    66    39    42   0.06250  1.0 1.0
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   60    67    72    73   0.41150 -1.0 2.0
   60    67    72    74   0.41150 -1.0 2.0
   61    60    66    39   0.37050  1.0 3.0
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   61    60    67    69   0.15000  1.0 3.0
   61    60    67    72  -0.11250  1.0 3.0
   66    60    67    68   0.23400  1.0 3.0
   66    60    67    69   0.23400  1.0 3.0
   66    60    67    72  -3.35100  1.0 1.0
   66    60    67    72  -0.37050 -1.0 2.0
   66    60    67    72   0.22400  1.0 3.0
   66    39    42    43   0.23400  1.0 3.0
   66    39    42    44   0.23400  1.0 3.0
   66    39    42    45   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    53    49   0.09850  1.0 1.0
   39    33    53    49   0.15250 -1.0 2.0
   39    33    53    49  -0.50650  1.0 3.0
   39    33   -53    55   0.46850  1.0 1.0
   39    33   -53    55   0.08550 -1.0 2.0
   39    33   -53    55   0.09800  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   67    60    66    39   0.06250  1.0 1.0
   67    60    66    39  -0.01100 -1.0 2.0
   67    60    66    39   0.28050  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    74   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   46    59    41    37   4.00000 -1.0 2.0
   47    49    46    41   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   54    52    51    47   1.10000 -1.0 2.0
   58    59    54    51   4.00000 -1.0 2.0
   62    77    58    54   4.00000 -1.0 2.0
   70    63    62    58   1.10000 -1.0 2.0
   75    71    70    62   1.10000 -1.0 2.0
   76    86    75    70   4.00000 -1.0 2.0
   77    78    76    75   4.00000 -1.0 2.0
   76    80    77    58   4.00000 -1.0 2.0
   76    82    78    79  10.50000 -1.0 2.0
   75    84    86    87  10.50000 -1.0 2.0
  100    94    99   101  10.50000 -1.0 2.0
   54    64    59    41   4.00000 -1.0 2.0
   46    50    49    53   1.10000 -1.0 2.0
   33    55    53    49   1.10000 -1.0 2.0
   73    67    72    74  10.50000 -1.0 2.0
END
