* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    199    319     591
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107   101.74690    15.67142
    3     1 S   H    _H1_     3     1.02135    39.53239   120.90854
    4     1 S   H    _H2_     4     1.02058    74.78385   -90.76257
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C27    36     1.80543    98.65454   -78.15346
   34    33 S   HC   _H3_    37     1.08560   109.80004   -60.15181
   35    33 S   HC   _H4_    38     1.08619   109.82967    60.12494
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C22    39     1.53883   109.83290   179.97202
   40    39 S   CT   _C11    40     1.54835   109.84063    60.32371
   41    40 S   HC   _H42    41     1.09652   111.37852    -2.92382
   42    40 S   HC   _H43    42     1.09755   110.23590  -121.33995
   43    39 S   OH   _O30    99     1.43482   105.06822   -55.59016
   44    43 S   HO   _H66   100     0.96779   106.00770   -62.80349
   45    40 S   CT   _C16    43     1.53024   109.91131   118.39515
   46    45 S   HC   _H48    44     1.09495   109.82438  -176.90067
   47    45 S   CT   _C9_    45     1.52917   111.50104   -54.70593
   48    47 S   HC   _H38    46     1.09745   109.86345   -58.22944
   49    47 S   HC   _H39    47     1.09332   108.88852  -174.15005
   50    47 S   CT   _C13    48     1.54711   110.18612    62.74235
   51    50 S   HC   _H45    49     1.09869   105.76131  -117.08285
   52    39 S   CT   _C20    50     1.59686   115.55329  -177.06642
   53    52 S   CT   _C17    51     1.55074   111.90832    62.63922
   54    53 S   HC   _H49    52     1.10249   109.16972   -50.01708
   55    52 S   CO   _C19    89     1.57127   105.90826  -173.91875
   56    55 S   HC   _H51    90     1.08836   111.23505  -176.94597
   57    53 S   CT   _C10    53     1.52837   113.29644  -169.49296
   58    57 S   HC   _H40    54     1.09624   110.55754   -67.86848
   59    57 S   HC   _H41    55     1.09859   108.26782   178.13240
   60    53 S   OS   _O33    82     1.42433   111.58937    67.57850
   61    45 S   OS   _O29    91     1.43106   109.54648    65.00731
   62    55 S   OS   _O34    92     1.42533   112.17130   -58.90955
   63    57 S   CT   _C14    56     1.53750   112.17788    57.15058
   64    63 S   HC   _H46    57     1.09889   106.88987    58.79806
   65    60 S   CO4  _C6_    83     1.36616   115.63572  -149.19459
   66    65 S   O    _O25    84     1.22322   126.25837     0.08623
   67    62 S   CO4  _C7_    93     1.36562   115.64748  -161.34273
   68    67 S   O    _O26    94     1.22407   126.20926     0.00000
   69    50 S   CT   _C21    58     1.58118   115.30416   130.02222
   70    63 S   CT   _C25    78     1.53561   108.81021   173.25544
   71    70 S   HC   _H58    79     1.08623   109.45341    65.21127
   72    70 S   HC   _H59    80     1.08635   109.40323   -54.83481
   73    70 S   HC   _H60    81     1.08644   109.39415  -174.77652
   74    65 S   CT   _C23    85     1.49920   109.70486  -179.96574
   75    74 S   HC   _H52    86     1.09307   109.84262   -89.99340
   76    74 S   HC   _H53    87     1.09287   109.83352   148.15627
   77    74 S   HC   _H54    88     1.09357   109.38006    29.09491
   78    67 S   CT   _C24    95     1.49868   109.74691   180.00000
   79    78 S   HC   _H55    96     1.09209   109.85317   -89.96321
   80    78 S   HC   _H56    97     1.09343   109.84546   148.05922
   81    78 S   HC   _H57    98     1.09435   109.36675    29.10958
   82    69 S   CT   _C15    59     1.51618   107.26228    64.01437
   83    82 S   HC   _H47    60     1.10076   110.36756   179.97202
   84    69 S   CT   _C26    74     1.54662   114.89178   -54.02478
   85    84 S   HC   _H61    75     1.08205   108.86149   179.95577
   86    84 S   HC   _H62    76     1.08223   108.84932    60.02480
   87    84 S   HC   _H63    77     1.08231   108.89309   -60.01111
   88    82 S   CT   _C8_    61     1.51926   113.51302    55.58003
   89    88 S   HC   _H36    62     1.09474   112.60800    81.25006
   90    88 S   HC   _H37    63     1.09687   110.22807   -39.36984
   91    82 S   OS   _O28    73     1.43453   109.82260   -61.86201
   92    88 S   CT   _C12    64     1.51292   103.10992  -155.26915
   93    92 S   HC   _H44    65     1.09407   112.53305   149.26847
   94    92 S   CM   _C4_    66     1.48414   115.84197   -83.02894
   95    94 S   HC   _H34    67     1.07849   125.75723   -63.50567
   96    94 S   CM   _C5_    68     1.32667   108.51809   118.85653
   97    96 S   HC   _H35    69     1.07543   128.40245   177.62447
   98    96 S   OS   _O27    70     1.37711   116.58105    -1.60523
   99    92 S   CO   _C18    71     1.53280   103.84078    26.82841
  100    99 S   HC   _H50    72     1.09494   112.25359   108.82355
  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   7   5   4   3
  13   5   4   2   1   1  20  14   7   6   6   1  12   6  12   6
   5  22   7  16  16   7   9   3  13   6   5   7   2   6  14   7
   5   4   5   4  16   5   2   1   1   3   2   1   1   3   2   1
   1  15   7   5   2   1   1  11   6   5   7   8   6   6   4   4
   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    52    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    50    52    53    55    43    44  
   35    39    40    52    43  
   39    40    52    43  
   37    38  
   38  
    0  
   40    41    42    45    46    47    50    51    52    53    54    57    69    60    55    56    61    62    43    44  
   41    42    45    46    47    48    49    50    52    53    55    61    43    44  
   42    45    46    47    52    61    43  
   45    46    47    52    61    43  
   44    45    50    52    53    55  
   52  
   46    47    48    49    50    51    52    69    55    56    61    62  
   47    48    49    50    55    61  
   48    49    50    51    52    53    63    69    82    84    55    61  
   49    50    51    52    69    61  
   50    51    52    69    61  
   51    52    53    54    57    63    64    69    82    83    88    91    84    85    86    87    70    60    55    56    61    62  
   52    53    63    69    82    84    55  
   53    54    57    58    59    63    69    82    84    60    65    55    56    61    62    67  
   54    57    58    59    63    64    69    70    60    65    66    74    55    56    61    62  
   57    58    59    63    60    65    55  
   56    61    62    67    68    78    57    60    69  
   61    62    67  
   58    59    63    64    69    82    84    70    71    72    73    60    65  
   59    63    64    69    70    60  
   63    64    69    70    60  
   65    66    74    75    76    77    63  
   62    67  
   67    68    78    79    80    81  
   64    69    82    83    88    91    84    85    86    87    70    71    72    73  
   69    82    84    70    71    72    73  
   66    74    75    76    77  
   74    75    76    77  
   68    78    79    80    81  
   78    79    80    81  
   82    83    88    89    90    92    99    91    84    85    86    87    70    71    72    73  
   71    72    73    82    84  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    88    89    90    92    93    94    98    99   100    91    84    85    86    87  
   88    89    90    92    99    91    84  
   85    86    87    88    91  
   86    87  
   87  
    0  
   89    90    92    93    94    95    96    98    99   100    91  
   90    92    93    94    99    91  
   92    93    94    99    91  
   92    93    94    96    98    99   100  
   93    94    95    96    97    98    99   100  
   94    95    96    98    99   100  
   95    96    97    98    99   100  
   96    97    98    99  
   97    98    99   100  
   98    99  
   99   100  
  100  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.100000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.100000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    52   268.000  1.529
   39    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    61   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    69   268.000  1.529
   52    53   268.000  1.529
   52    55   250.000  1.527
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    70   268.000  1.529
   69    82   268.000  1.529
   69    84   268.000  1.529
   82    83   340.000  1.090
   82    88   268.000  1.529
   82    91   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    92   268.000  1.529
   92    93   340.000  1.090
   92    94   317.000  1.510
   92    99   250.000  1.527
   94    95   340.000  1.080
   94    96   549.000  1.340
   96    97   340.000  1.080
   96    98   440.000  1.360
   98    99   320.000  1.380
   99   100   340.000  1.090
   99    91   320.000  1.380
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    65   214.000  1.327
   65    66   570.000  1.229
   65    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   55    56   340.000  1.090
   55    61   320.000  1.380
   55    62   320.000  1.380
   62    67   214.000  1.327
   67    68   570.000  1.229
   67    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   43    44   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    52    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    45    58.35000  112.70000
   39    52    50    58.35000  112.70000
   39    52    53    58.35000  112.70000
   39    52    55    75.00000  109.43000
   39    43    44    55.00000  108.50000
   40    45    46    37.50000  110.70000
   40    45    47    58.35000  112.70000
   40    45    61    50.00000  109.50000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    61    55    60.00000  109.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    69    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    58.35000  112.70000
   50    52    55    75.00000  109.43000
   50    69    63    58.35000  112.70000
   50    69    82    58.35000  112.70000
   50    69    84    58.35000  112.70000
   52    39    40    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    57    58.35000  112.70000
   52    53    60    50.00000  109.50000
   52    55    56    45.00000  112.01100
   52    55    61    90.00000  108.56700
   52    55    62    90.00000  108.56700
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    63    58.35000  112.70000
   53    60    65    83.00000  116.90000
   57    53    54    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    69    58.35000  112.70000
   57    63    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    69    82    58.35000  112.70000
   63    69    84    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    82    83    37.50000  110.70000
   69    82    88    58.35000  112.70000
   69    82    91    50.00000  109.50000
   69    84    85    37.50000  110.70000
   69    84    86    37.50000  110.70000
   69    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    92    58.35000  112.70000
   82    91    99    60.00000  109.50000
   88    82    83    37.50000  110.70000
   88    92    93    37.50000  110.70000
   88    92    94    70.00000  112.02700
   88    92    99    75.00000  109.43000
   90    88    89    33.00000  107.80000
   92    88    89    37.50000  110.70000
   92    88    90    37.50000  110.70000
   92    94    95    35.00000  117.00000
   92    94    96    70.00000  124.00000
   92    99    98    90.00000  108.56700
   92    99   100    45.00000  112.01100
   92    99    91    90.00000  108.56700
   94    92    93    35.00000  109.50000
   94    96    97    35.00000  120.00000
   94    96    98    80.00000  120.01400
   96    94    95    35.00000  120.00000
   96    98    99    85.00000  113.97000
   98    96    97    55.00000  109.52600
   98    99   100    35.00000  109.50000
   98    99    91    92.60000  111.55000
   99    92    93    45.00000  108.72000
   99    92    94    70.00000  112.02700
   91    82    83    35.00000  109.50000
   91    82    88    50.00000  109.50000
   91    99   100    35.00000  109.50000
   84    69    82    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    57    50.00000  109.50000
   60    65    66    83.00000  123.40000
   60    65    74    81.00000  111.40000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   74    65    66    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   55    52    53    75.00000  109.43000
   55    62    67    95.00000  111.08000
   61    45    46    35.00000  109.50000
   61    45    47    50.00000  109.50000
   61    55    56    35.00000  109.50000
   62    55    56    35.00000  109.50000
   62    55    61    92.60000  111.55000
   62    67    68    83.00000  123.40000
   62    67    78    81.00000  111.40000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   78    67    68    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   43    39    40    50.00000  109.50000
   43    39    52    50.00000  109.50000
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
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
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   55    62    67    78   2.92000 -1.0 2.0
   56    55    61    45   0.37050  1.0 3.0
   56    55    62    67   0.08050  1.0 3.0
   61    45    47    48   0.23400  1.0 3.0
   61    45    47    49   0.23400  1.0 3.0
   61    45   -47    50   0.62750  1.0 1.0
   61    45   -47    50  -0.30950 -1.0 2.0
   61    45   -47    50   0.27300  1.0 3.0
   61    55    62    67  -1.83450  1.0 1.0
   61    55    62    67  -0.02700 -1.0 2.0
   61    55    62    67  -0.20100  1.0 3.0
   62    55    61    45  -0.81800  1.0 1.0
   62    67    78    79   0.00000  1.0 1.0
   62    67    78    80   0.00000  1.0 1.0
   62    67    78    81   0.00000  1.0 1.0
   68    67    78    79   0.00000  1.0 1.0
   68    67    78    80   0.00000  1.0 1.0
   68    67    78    81   0.00000  1.0 1.0
   43    39    40    41   0.23400  1.0 3.0
   43    39    40    42   0.23400  1.0 3.0
   43    39    40    45   0.86500  1.0 1.0
   43    39    40    45  -0.17500 -1.0 2.0
   43    39    40    45   0.20800  1.0 3.0
   43    39    52    50   0.86500  1.0 1.0
   43    39    52    50  -0.17500 -1.0 2.0
   43    39    52    50   0.20800  1.0 3.0
   43    39    52    53   0.86500  1.0 1.0
   43    39    52    53  -0.17500 -1.0 2.0
   43    39    52    53   0.20800  1.0 3.0
   43    39    52    55   0.86500  1.0 1.0
   43    39    52    55  -0.17500 -1.0 2.0
   43    39    52    55   0.20800  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   92    95    94    96   1.10000 -1.0 2.0
   98    97    96    94   1.10000 -1.0 2.0
   60    74    65    66  10.50000 -1.0 2.0
   62    78    67    68  10.50000 -1.0 2.0
END
