* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    206    339     623
    1     0 S   NP   _N1_     1    30.00011    89.16968   -23.65553
    2     1 S   H    _HN1     2     1.02836    17.83988    40.22397
    3     1 S   H    _H1_     3     1.02779    92.91932  -107.52172
    4     1 S   H    _H2_     4     1.02954   122.24767     6.36190
    5     1 S   CT   _CA1     5     1.50139   109.43133   137.63031
    6     5 S   HC   _HA1     6     1.09561   105.24887    40.30184
    7     5 S   CO3  _C1_     7     1.53846   112.35926   -80.05954
    8     7 S   O2Z  _O11     8     1.26379   114.98282   -41.46811
    9     7 S   O2Z  _O12     9     1.26228   114.96785   137.66985
   10     5 S   CT   _CB1    10     1.53085   107.43710   158.45229
   11    10 S   HC   HB11    11     1.09825   109.58714   -47.96902
   12    10 S   HC   HB12    12     1.09836   110.27098    68.64804
   13    10 S   CT   _CG1    13     1.53050   112.69395  -168.96972
   14    13 S   HC   HG11    14     1.09588   110.45521   -60.67068
   15    13 S   HC   HG12    15     1.09629   110.07295    58.65532
   16    13 S   C    _CD1    16     1.51792   112.13723   179.17861
   17    16 S   O    _OE1    17     1.22744   123.17775    -2.88208
   18    16 S   N    _N2_    18     1.38689   111.74958   176.64514
   19    18 S   H    _HN2    19     1.01579   119.14921     2.77686
   20    18 S   CT1  _CA2    20     1.46313   123.14269  -175.59544
   21    20 S   HC   _HA2    21     1.09742   109.25224   -11.50509
   22    20 S   C    _C2_    22     1.53378   108.84017  -127.39759
   23    22 S   O    _O2_    23     1.23023   122.10303  -147.78006
   24    20 S   CT   _CB2    32     1.53888   111.47541   110.16212
   25    24 S   HC   HB21    33     1.09362   108.69186    59.52154
   26    24 S   HC   HB22    34     1.09293   109.41045   178.87726
   27    22 S   N    _N3_    24     1.38458   113.42294    39.63567
   28    27 S   H    _HN3    25     1.01535   118.86653    -1.02793
   29    24 S   S    _SG2    35     1.82319   110.81140   -61.03977
   30    27 S   CT   _CA3    26     1.45470   123.66888   175.19234
   31    30 S   HC   HA31    27     1.09517   109.49747    18.47103
   32    30 S   HC   HA32    28     1.09513   107.04340   135.51663
   33    29 S   CT   _C21    36     1.91065   105.18561   177.28942
   34    30 S   CO3  _C3_    29     1.52932   112.98248  -105.19298
   35    34 S   O2Z  _O31    30     1.26421   115.36969   -44.86183
   36    34 S   O2Z  _O32    31     1.26355   115.00739   136.04009
   37    33 S   CM   _C6_    37     1.54368   105.00889    89.59312
   38    37 S   CM   _C4_    38     1.35170   118.31341    85.64646
   39    38 S   HC   _H33    39     1.08498   122.70381   179.68286
   40    37 S   CM   _C7_    91     1.47157   118.98802   -95.06569
   41    38 S   CM   _C5_    40     1.44713   122.42557    -4.81007
   42    41 S   HC   _H34    41     1.08413   114.60863  -153.69529
   43    40 S   CM   _C8_    92     1.34602   122.64032    -8.35327
   44    40 S   CT   _C26   100     1.51404   117.50020   169.76515
   45    44 S   HC   _H51   101     1.09551   110.61218    66.39112
   46    44 S   HC   _H52   102     1.09584   110.68801   -54.62334
   47    44 S   HC   _H53   103     1.09470   113.16372  -173.94858
   48    41 S   CM   _C9_    42     1.35224   123.04386    21.38590
   49    43 S   CO4  _C10    93     1.48353   121.46690    -2.19267
   50    49 S   O    _O29    94     1.23138   119.48782   175.42928
   51    43 S   OH   _O33    98     1.38222   122.04357   177.74866
   52    51 S   HO   _H69    99     0.97460   106.97432  -178.44267
   53    33 S   CT   _C22    43     1.63839   107.71934  -153.76437
   54    33 S   CT   _C12    95     1.54359   112.14468   -33.28893
   55    54 S   HC   _H35    96     1.09606   110.93231   -41.35111
   56    54 S   HC   _H36    97     1.09471   111.64563  -159.56856
   57    53 S   CT   _C14    44     1.57047   110.53223    63.12663
   58    57 S   HC   _H39    45     1.09809   109.40699    99.15310
   59    57 S   HC   _H40    46     1.09579   110.96450   -13.30997
   60    53 S   CT   _C28    87     1.57757   107.82417  -178.72344
   61    60 S   HC   _H57    88     1.09519   112.37152   -89.76269
   62    60 S   HC   _H58    89     1.09312   112.79672   148.79003
   63    60 S   HC   _H59    90     1.09522   112.78485    30.08708
   64    57 S   CT   _C16    47     1.53707   119.27568  -136.87215
   65    64 S   HC   _H43    48     1.09450   106.48883   100.83150
   66    64 S   HC   _H44    49     1.09872   108.53532  -146.68777
   67    64 S   CT   _C25    50     1.54663   115.79846   -22.67211
   68    67 S   CT   _C20    51     1.60011   111.87825  -179.08315
   69    68 S   HC   _H50    52     1.09933   104.44678    75.98496
   70    48 S   CT   _C23    70     1.55488   121.74271  -170.41850
   71    67 S   CT   _C31    83     1.56941   105.84416   -64.65225
   72    71 S   HC   _H66    84     1.09080   113.37680   141.25674
   73    71 S   HC   _H67    85     1.09164   112.85388    18.84335
   74    71 S   HC   _H68    86     1.09544   112.52150   -97.11466
   75    68 S   CT   _C18    53     1.55261   117.08815   -35.51836
   76    75 S   HC   _H47    54     1.09253   111.86421    41.66410
   77    75 S   HC   _H48    55     1.09211   110.68286   -76.93717
   78    70 S   CT   _C29    71     1.56214   103.43966    74.76420
   79    78 S   HC   _H60    72     1.08768   113.50132  -175.45287
   80    78 S   HC   _H61    73     1.09221   112.98666    62.73933
   81    78 S   HC   _H62    74     1.09780   111.19459   -57.08333
   82    75 S   CT   _C19    56     1.54340   112.09743   162.58207
   83    82 S   HC   _H49    57     1.09694   108.19112   156.72979
   84    82 S   CO4  _C11    58     1.51965   110.24652    39.66815
   85    84 S   O    _O30    59     1.22996   122.58975  -162.51632
   86    82 S   CT   _C27    79     1.52763   112.00578   -83.79223
   87    86 S   HC   _H54    80     1.09484   111.83884    65.76627
   88    86 S   HC   _H55    81     1.09489   110.99069   -55.33846
   89    86 S   HC   _H56    82     1.09562   110.70992  -174.75443
   90    84 S   CT   _C13    60     1.50790   115.97213    20.90171
   91    90 S   HC   _H37    61     1.09747   106.19933    61.40797
   92    90 S   HC   _H38    62     1.09645   109.16563   175.42222
   93    68 S   CT   _C24    63     1.58294   114.93775  -168.27212
   94    93 S   CT   _C17    64     1.54692   113.23226    38.10029
   95    94 S   HC   _H45    65     1.09883   109.60290  -164.13117
   96    94 S   HC   _H46    66     1.09649   109.92481    81.87330
   97    93 S   CT   _C30    75     1.54975   110.38792   -83.34971
   98    97 S   HC   _H63    76     1.09139   112.58323    69.03641
   99    97 S   HC   _H64    77     1.09553   111.35582   -52.71495
  100    97 S   HC   _H65    78     1.09676   111.15452  -172.11639
  101    94 S   CT   _C15    67     1.52933   116.18730   -41.11408
  102   101 S   HC   _H41    68     1.09682   106.04765   174.73634
  103   101 S   HC   _H42    69     1.09473   109.68811   -72.41293
  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  12   5   4   3
  23   2   1   1  19  10   4  12   9   3  11   5   2   1   1  22
   7   4   2   1  17   4   1   1  13   6   5   5   2   1   1  14
   5   4  22  26  10  16   7   2   1   1  14   6   5   7   3   2
   1  11   7  11   5   4   2   1   1  11   4   3  10   9   5   4
   4   2   1   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    53    57    60    40    49    54    55    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    48    53    57    58    59    64    70    60    61    62    63    40    43    49    50    54    55    56    44  
   35    36  
   36  
    0  
   38    39    41    42    48    53    57    60    40    43    49    54    55    56    51    44    45    46    47  
   39    41    42    48    53    70    40    43    54    44  
   41    42    48    40  
   43    49    50    54    51    52    44    45    46    47    41    53  
   42    48    53    57    67   101    70    78    60  
   48    53    70  
   49    50    54    55    56    51    52    44    45    46    47  
   45    46    47    49    51  
   46    47  
   47  
    0  
   53    57    58    59    64    67    68    94   101   102   103    70    78    79    80    81    71    60    61    62    63    54  
   50    54    55    56    51    52    53  
   54    55    56    51  
   52    54  
    0  
   57    58    59    64    65    66    67   101    70    78    60    61    62    63    54    55    56  
   55    56    57    60  
   56  
    0  
   58    59    64    65    66    67    68    70    71    60    61    62    63  
   59    64    65    66    67    60  
   64    65    66    67    60  
   61    62    63    64    70  
   62    63  
   63  
    0  
   65    66    67    68    69    75    93   101    70    78    71    72    73    74  
   66    67    68    70    71  
   67    68    70    71  
   68    69    75    76    77    82    90    93    94   101   102   103    70    78    79    80    81    97    71    72    73    74  
   69    75    76    77    82    83    84    90    91    92    93    94    95    96   101    70    78    97    98    99   100    86    71    72    73    74  
   75    76    77    82    90    93    94    70    97    71  
   78    79    80    81    71    72    73    74    75    93    94    95    96   101   102   103  
   72    73    74    75    78    93   101  
   73    74  
   74  
    0  
   76    77    82    83    84    85    90    93    94    97    86    87    88    89  
   77    82    83    84    93    86  
   82    83    84    93    86  
   79    80    81    94   101   102   103  
   80    81   101  
   81   101  
  101  
   83    84    85    90    91    92    93    86    87    88    89  
   84    85    90    86    87    88    89  
   85    90    91    92    93    94    97    86    87    88    89  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94    95    96   101    97    98    99   100  
   92    93    94    97  
   93    94    97  
   94    95    96   101   102   103    97    98    99   100  
   95    96   101   102   103    97    98    99   100  
   96   101   102   103    97  
  101   102   103    97  
   98    99   100   101  
   99   100  
  100  
    0  
  102   103  
  103  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   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  1.510
   33    53   268.000  1.529
   33    54   268.000  1.529
   37    38   549.000  1.340
   37    40   380.000  1.444
   38    39   340.000  1.080
   38    41   380.000  1.444
   41    42   340.000  1.080
   41    48   549.000  1.340
   48    53   317.000  1.510
   48    70   317.000  1.510
   53    57   268.000  1.529
   53    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    70   268.000  1.529
   67    71   268.000  1.529
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    93   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   340.000  1.090
   82    84   317.000  1.522
   82    86   268.000  1.529
   84    85   570.000  1.229
   84    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   268.000  1.529
   93    97   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101    70   268.000  1.529
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   40    43   549.000  1.340
   40    44   317.000  1.510
   43    49   320.000  1.462
   43    51   510.000  1.338
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   51    52   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
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  112.20000
   29    33    53    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    70.00000  124.00000
   33    53    48    70.00000  112.02700
   33    53    57    58.35000  112.70000
   33    53    60    58.35000  112.70000
   33    54    49    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    41    70.00000  123.01800
   37    40    43    70.00000  123.01800
   37    40    44    70.00000  124.00000
   38    41    42    35.00000  120.00000
   38    41    48    70.00000  123.01800
   41    38    39    35.00000  120.00000
   41    48    53    70.00000  124.00000
   41    48    70    70.00000  124.00000
   48    41    42    35.00000  120.00000
   48    53    57    70.00000  112.02700
   48    53    60    70.00000  112.02700
   48    70    67    70.00000  112.02700
   48    70   101    70.00000  112.02700
   48    70    78    70.00000  112.02700
   53    33    37    70.00000  112.02700
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    64    58.35000  112.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    70    58.35000  112.70000
   64    67    71    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    75    58.35000  112.70000
   67    68    93    58.35000  112.70000
   67    70   101    58.35000  112.70000
   67    70    78    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    82    58.35000  112.70000
   68    93    90    58.35000  112.70000
   68    93    94    58.35000  112.70000
   68    93    97    58.35000  112.70000
   75    68    69    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    84    63.00000  111.10000
   75    82    86    58.35000  112.70000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   82    84    85    80.00000  120.40000
   82    84    90    70.00000  116.00000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    89    37.50000  110.70000
   84    82    83    35.00000  109.50000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    63.00000  111.10000
   90    84    85    80.00000  120.40000
   90    93    94    58.35000  112.70000
   90    93    97    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    68    69    37.50000  110.70000
   93    68    75    58.35000  112.70000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    94    95    37.50000  110.70000
   93    94    96    37.50000  110.70000
   93    94   101    58.35000  112.70000
   93    97    98    37.50000  110.70000
   93    97    99    37.50000  110.70000
   93    97   100    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101    70    58.35000  112.70000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101    70    78    58.35000  112.70000
  103   101   102    33.00000  107.80000
   70    48    53    65.00000  117.92700
   70    67    68    58.35000  112.70000
   70   101   102    37.50000  110.70000
   70   101   103    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   97    93    94    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    82    83    37.50000  110.70000
   86    82    84    63.00000  111.10000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   71    67    68    58.35000  112.70000
   71    67    70    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    53    57    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   40    37    38    70.00000  123.01800
   40    43    49    65.00000  118.96000
   40    43    51    80.00000  121.38400
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   43    49    50    80.00000  123.72100
   43    49    54    65.00000  118.62400
   43    51    52    70.00000  107.45700
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   54    33    53    58.35000  112.70000
   54    49    50    80.00000  120.40000
   56    54    55    33.00000  107.80000
   51    43    49    85.00000  116.28000
   44    40    43    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
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
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   97    93    94   101   0.20000  1.0 3.0
   86    82    84    85   0.30150 -1.0 2.0
   86    82    84    90   0.60050  1.0 1.0
   86    82    84    90   0.05600 -1.0 2.0
   86    82    84    90   0.26150  1.0 3.0
   71    67    68    69   0.15000  1.0 3.0
   71    67    68    75   0.56750  1.0 1.0
   71    67    68    75  -0.07550 -1.0 2.0
   71    67    68    75   0.20000  1.0 3.0
   71    67    68    93   0.56750  1.0 1.0
   71    67    68    93  -0.07550 -1.0 2.0
   71    67    68    93   0.20000  1.0 3.0
   71    67    70    48   0.34400  1.0 1.0
   71    67    70    48   0.09450 -1.0 2.0
   71    67    70    48   0.11100  1.0 3.0
   71    67    70   101   0.56750  1.0 1.0
   71    67    70   101  -0.07550 -1.0 2.0
   71    67    70   101   0.20000  1.0 3.0
   71    67    70    78   0.56750  1.0 1.0
   71    67    70    78  -0.07550 -1.0 2.0
   71    67    70    78   0.20000  1.0 3.0
   60    53    57    58   0.15000  1.0 3.0
   60    53    57    59   0.15000  1.0 3.0
   60    53    57    64   0.56750  1.0 1.0
   60    53    57    64  -0.07550 -1.0 2.0
   60    53    57    64   0.20000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    43    49    50   1.00000 -1.0 2.0
   40    43    49    54  -0.33500  1.0 1.0
   40    43    49    54   1.06600 -1.0 2.0
   40    43    49    54  -0.14000  1.0 3.0
   40    43    51    52  -0.66100  1.0 1.0
   40    43    51    52   1.20850 -1.0 2.0
   40    43    51    52  -0.36000  1.0 3.0
   43    40    44    45   0.00000  1.0 1.0
   43    40    44    46   0.00000  1.0 1.0
   43    40    44    47   0.00000  1.0 1.0
   43    49   -54    33   0.65300  1.0 1.0
   43    49   -54    33  -0.03850 -1.0 2.0
   43    49   -54    33   0.33900  1.0 3.0
   43    49    54    55   0.00000  1.0 1.0
   43    49    54    56   0.00000  1.0 1.0
   49    43    51    52   2.00000 -1.0 2.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   54    33    37    38   0.09850  1.0 1.0
   54    33    37    38   0.15250 -1.0 2.0
   54    33    37    38  -0.50650  1.0 3.0
   54    33   -37    40   0.98200  1.0 1.0
   54    33   -37    40  -0.11900 -1.0 2.0
   54    33   -37    40   0.24250  1.0 3.0
   54    33    53    48   0.34400  1.0 1.0
   54    33    53    48   0.09450 -1.0 2.0
   54    33    53    48   0.11100  1.0 3.0
   54    33    53    57   0.56750  1.0 1.0
   54    33    53    57  -0.07550 -1.0 2.0
   54    33    53    57   0.20000  1.0 3.0
   54    33    53    60   0.56750  1.0 1.0
   54    33    53    60  -0.07550 -1.0 2.0
   54    33    53    60   0.20000  1.0 3.0
   51    43    49    50  -0.11900  1.0 1.0
   51    43    49    50   0.76850 -1.0 2.0
   51    43    49    50   0.14100  1.0 3.0
   51    43    49    54   0.32450 -1.0 2.0
   51    43    49    54   0.17400  1.0 3.0
   44    40    43    49   7.00000 -1.0 2.0
   44    40    43    51   7.00000 -1.0 2.0
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    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   38    42    41    48   1.10000 -1.0 2.0
   53    70    48    41   1.10000 -1.0 2.0
   82    90    84    85  10.50000 -1.0 2.0
   37    44    40    43   1.10000 -1.0 2.0
   49    51    43    40   1.10000 -1.0 2.0
   43    54    49    50  10.50000 -1.0 2.0
END
