* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    203    334     614
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02132    77.83189   -86.75867
    3     1 S   H    _H1_     3     1.02083   100.08201    20.37863
    4     1 S   H    _H2_     4     1.02131    37.41656   128.06450
    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     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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   _C21    36     1.88221    96.26743   161.88438
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C7_    37     1.54462   102.88400   -79.99051
   38    37 S   HC   _H35    38     1.09484   112.02895   168.52771
   39    37 S   HC   _H36    39     1.09814   111.29077    50.88445
   40    33 S   CT   _C10    56     1.54293   106.91227    36.69615
   41    40 S   HC   _H41    57     1.09814   110.78507   -53.41759
   42    40 S   HC   _H42    58     1.09700   109.80839  -169.02603
   43    37 S   CO4  _C4_    40     1.51903   111.56743   -70.50696
   44    43 S   O    _O25    41     1.23198   120.92931   140.09600
   45    43 S   CT   _C6_    42     1.51299   117.87647   -45.69703
   46    45 S   HC   _H33    43     1.09583   108.52281   163.87622
   47    45 S   HC   _H34    44     1.09602   107.74200   -80.28454
   48    45 S   CT   _C8_    45     1.53042   113.26992    42.74247
   49    48 S   HC   _H37    46     1.09510   109.06935    75.51880
   50    48 S   HC   _H38    47     1.09661   107.67496  -170.33759
   51    33 S   CT   _C18    48     1.59151   114.89769   158.87615
   52    51 S   CT   _C20    49     1.58950   109.94937   -63.81012
   53    52 S   F    _F31    50     1.38051   106.66372    60.01116
   54    51 S   CT   _C23    97     1.56294   110.36353   174.75305
   55    54 S   HC   _H51    98     1.07675   107.98808    62.41375
   56    54 S   HC   _H52    99     1.07714   107.96774   -57.57505
   57    54 S   HC   _H53   100     1.07651   108.03639  -177.53320
   58    52 S   CT   _C13    51     1.56736   111.28766   -55.32727
   59    58 S   HC   _H47    52     1.09349   109.61071   -66.57347
   60    52 S   CT   _C16    71     1.55957   116.60883   174.40143
   61    60 S   HC   _H50    72     1.09653   108.39582   -62.66973
   62    58 S   CT   _C9_    53     1.53850   112.49161    51.97052
   63    62 S   HC   _H39    54     1.09664   109.23014  -170.84771
   64    62 S   HC   _H40    55     1.09614   110.15750    73.68432
   65    58 S   CT   _C14    59     1.53593   108.44024   174.61748
   66    65 S   HC   _H48    60     1.10078   105.75664   -58.12217
   67    60 S   OH   _O29    73     1.41773   112.46392    55.31213
   68    67 S   HO   _H65    74     0.97238   106.97323  -173.77370
   69    65 S   CT   _C11    61     1.53059   119.51454  -176.96513
   70    69 S   HC   _H43    62     1.09541   110.20818   -44.10512
   71    69 S   HC   _H44    63     1.09519   111.85606    76.38151
   72    69 S   CT   _C15    64     1.54463   103.92741  -162.20992
   73    72 S   HC   _H49    65     1.09526   109.99232   133.81304
   74    72 S   CT   _C17    66     1.53183   106.66475     9.42663
   75    65 S   CT   _C19    67     1.54691   113.37240    60.54580
   76    74 S   OS   _O28    79     1.42555   105.05319   -99.24809
   77    74 S   CO4  _C5_    90     1.50070   114.25087   144.84050
   78    77 S   O    _O26    91     1.23034   121.31950   -30.04770
   79    75 S   CT   _C12    68     1.54144   107.49159   -61.46652
   80    79 S   HC   _H45    69     1.09715   109.93217   -65.04817
   81    79 S   HC   _H46    70     1.09675   109.53732   178.06933
   82    75 S   CT   _C24    75     1.55281   113.34111    61.31512
   83    82 S   HC   _H54    76     1.08071   108.46395    59.11698
   84    82 S   HC   _H55    77     1.08015   108.55215   -60.90679
   85    82 S   HC   _H56    78     1.08093   108.50580   179.02723
   86    76 S   CO   _C22    80     1.43037   106.81501   -20.05335
   87    77 S   CT   _C27    92     1.51396   116.27199   149.92315
   88    87 S   HC   _H63    93     1.09331   109.73469    60.05312
   89    87 S   HC   _H64    94     1.09306   109.05745   -60.17334
   90    72 S   OS   _O27    81     1.42379   110.87438  -106.05454
   91    86 S   CT   _C25    82     1.52373   108.82684  -105.23447
   92    91 S   HC   _H57    83     1.09022   109.96421    59.96870
   93    91 S   HC   _H58    84     1.08990   109.97931   -60.08029
   94    91 S   HC   _H59    85     1.08986   109.95859   179.94065
   95    86 S   CT   _C26    86     1.52571   109.39716   134.11738
   96    95 S   HC   _H60    87     1.08858   109.89439   -60.32616
   97    95 S   HC   _H61    88     1.08973   109.86600   179.74512
   98    95 S   HC   _H62    89     1.08873   109.90489    59.74781
   99    87 S   OH   _O30    95     1.41192   110.65907  -179.46478
  100    99 S   HO   _H66    96     0.97423   107.27392  -180.00000
  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  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1
  18   8   5   1  12   6   5  13   6  19  13  15  10   4   6   2
   1   3   2   1   1   9   4   3   2   8   7   3   2   1   3   2
   1   1   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    62    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    62    63    64    40    41    42    60    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    62    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    65    54    43    48    51    52    58    59    62    63    64  
   42    51    58    62    63    64  
   51    58    62    63    64  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    60    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    62    65    79    60    61    67    54    55    56    57  
   53    58    59    62    63    64    65    66    69    75    79    80    81    60    61    67    68    54    55    56    57  
   58    59    62    65    79    60    61    67    54  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    65    66    69    70    71    72    74    75    79    60    61    67    82  
   62    63    64    65    66    69    75    60  
   61    67    68    82    62    65    74    75    79    80    81  
   67    68    75    79    80    81  
   63    64    65    66    69    75  
   64    65  
   65  
   66    69    70    71    72    73    74    75    79    80    81    82    83    84    85    76    90    77  
   69    70    71    72    74    75    79    82  
   68    75    79    80    81  
   79  
   70    71    72    73    74    75    79    82    76    86    90    77  
   71    72    73    74    75    90  
   72    73    74    75    90  
   73    74    75    79    82    76    86    90    91    95    77    78    87  
   74    75    76    86    90    77  
   75    79    80    81    82    83    84    85    76    86    90    91    95    77    78    87    88    89    99  
   79    80    81    82    83    84    85    76    86    90    77    78    87  
   86    90    91    92    93    94    95    96    97    98    77    78    87    79    82  
   78    87    88    89    99   100    79    82    86    90  
   87    88    89    99  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   90    91    92    93    94    95    96    97    98  
   88    89    99   100  
   89    99   100  
   99   100  
   91    92    93    94    95    96    97    98  
   92    93    94    95    96    97    98  
   93    94    95  
   94    95  
   95  
   96    97    98  
   97    98  
   98  
    0  
  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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   367.000  1.332
   52    58   268.000  1.529
   52    60   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    75   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    90   320.000  1.410
   74    75   268.000  1.529
   74    76   320.000  1.410
   74    77   317.000  1.522
   75    79   268.000  1.529
   75    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    60   268.000  1.529
   60    61   340.000  1.090
   60    67   320.000  1.410
   67    68   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    86   320.000  1.380
   86    90   320.000  1.380
   86    91   250.000  1.527
   86    95   250.000  1.527
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   77    78   570.000  1.229
   77    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    99   320.000  1.410
   99   100   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    62    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    50.00000  109.50000
   51    52    58    58.35000  112.70000
   51    52    60    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    62    58.35000  112.70000
   52    58    65    58.35000  112.70000
   52    60    79    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    67    50.00000  109.50000
   58    52    53    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    40    58.35000  112.70000
   58    65    66    37.50000  110.70000
   58    65    69    58.35000  112.70000
   58    65    75    58.35000  112.70000
   62    58    59    37.50000  110.70000
   62    40    41    37.50000  110.70000
   62    40    42    37.50000  110.70000
   64    62    63    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    37.50000  110.70000
   42    40    41    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    62    58.35000  112.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    58.35000  112.70000
   65    75    74    58.35000  112.70000
   65    75    79    58.35000  112.70000
   65    75    82    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    58.35000  112.70000
   69    72    90    50.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    58.35000  112.70000
   72    74    76    50.00000  109.50000
   72    74    77    63.00000  111.10000
   72    90    86    60.00000  109.50000
   74    72    73    37.50000  110.70000
   74    75    79    58.35000  112.70000
   74    75    82    58.35000  112.70000
   74    76    86    60.00000  109.50000
   74    77    78    80.00000  120.40000
   74    77    87    70.00000  116.00000
   75    65    66    37.50000  110.70000
   75    65    69    58.35000  112.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    60    58.35000  112.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   79    60    61    37.50000  110.70000
   79    60    67    50.00000  109.50000
   81    79    80    33.00000  107.80000
   60    52    53    50.00000  109.50000
   60    52    58    58.35000  112.70000
   60    79    80    37.50000  110.70000
   60    79    81    37.50000  110.70000
   60    67    68    55.00000  108.50000
   67    60    61    35.00000  109.50000
   82    75    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    74    75    50.00000  109.50000
   76    86    90    92.60000  111.55000
   76    86    91    90.00000  108.56700
   76    86    95    90.00000  108.56700
   86    91    92    45.00000  108.72000
   86    91    93    45.00000  108.72000
   86    91    94    45.00000  108.72000
   86    95    96    45.00000  108.72000
   86    95    97    45.00000  108.72000
   86    95    98    45.00000  108.72000
   90    72    73    35.00000  109.50000
   90    72    74    50.00000  109.50000
   91    86    90    90.00000  108.56700
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   95    86    90    90.00000  108.56700
   95    86    91    65.00000  112.71400
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   77    74    75    63.00000  111.10000
   77    74    76    90.00000  108.74100
   77    87    88    35.00000  109.50000
   77    87    89    35.00000  109.50000
   77    87    99    90.00000  109.61100
   87    77    78    80.00000  120.40000
   87    99   100    55.00000  108.50000
   89    87    88    33.00000  107.80000
   99    87    88    35.00000  109.50000
   99    87    89    35.00000  109.50000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
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   60    52   -58    65   0.56750  1.0 1.0
   60    52   -58    65  -0.07550 -1.0 2.0
   60    52   -58    65   0.20000  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   82    75    79    80   0.15000  1.0 3.0
   82    75    79    81   0.15000  1.0 3.0
   82    75    79    60   0.56750  1.0 1.0
   82    75    79    60  -0.07550 -1.0 2.0
   82    75    79    60   0.20000  1.0 3.0
   76    74    75    65   0.62750  1.0 1.0
   76    74    75    65  -0.30950 -1.0 2.0
   76    74    75    65   0.27300  1.0 3.0
   76    74    75    79   0.62750  1.0 1.0
   76    74    75    79  -0.30950 -1.0 2.0
   76    74    75    79   0.27300  1.0 3.0
   76    74    75    82   0.62750  1.0 1.0
   76    74    75    82  -0.30950 -1.0 2.0
   76    74    75    82   0.27300  1.0 3.0
   76    74    77    78   0.30150 -1.0 2.0
   76    74    77    87   0.55300  1.0 1.0
   76    74    77    87   1.25850 -1.0 2.0
   76    74    77    87  -0.23600  1.0 3.0
   76    86   -90    72  -0.53350  1.0 1.0
   76    86   -90    72  -0.78350 -1.0 2.0
   76    86   -90    72   0.33750  1.0 3.0
   76    86    91    92   0.23400  1.0 3.0
   76    86    91    93   0.23400  1.0 3.0
   76    86    91    94   0.23400  1.0 3.0
   76    86    95    96   0.23400  1.0 3.0
   76    86    95    97   0.23400  1.0 3.0
   76    86    95    98   0.23400  1.0 3.0
   90    72    74    75   0.62750  1.0 1.0
   90    72    74    75  -0.30950 -1.0 2.0
   90    72    74    75   0.27300  1.0 3.0
   90    72   -74    76   1.11900  1.0 1.0
   90    72   -74    76  -1.16350 -1.0 2.0
   90    72   -74    76  -0.34150  1.0 3.0
   90    72    74    77  -0.09450  1.0 1.0
   90    72    74    77  -1.12950 -1.0 2.0
   90    72    74    77   0.54000  1.0 3.0
   90    86    91    92   0.23400  1.0 3.0
   90    86    91    93   0.23400  1.0 3.0
   90    86    91    94   0.23400  1.0 3.0
   90    86    95    96   0.23400  1.0 3.0
   90    86    95    97   0.23400  1.0 3.0
   90    86    95    98   0.23400  1.0 3.0
   91    86    90    72   0.06250  1.0 1.0
   91    86    90    72  -0.01100 -1.0 2.0
   91    86    90    72   0.28050  1.0 3.0
   91    86    95    96   0.15000  1.0 3.0
   91    86    95    97   0.15000  1.0 3.0
   91    86    95    98   0.15000  1.0 3.0
   95    86    90    72   0.06250  1.0 1.0
   95    86    90    72  -0.01100 -1.0 2.0
   95    86    90    72   0.28050  1.0 3.0
   95    86    91    92   0.15000  1.0 3.0
   95    86    91    93   0.15000  1.0 3.0
   95    86    91    94   0.15000  1.0 3.0
   77    74    75    65  -0.95700  1.0 1.0
   77    74    75    65  -0.18200 -1.0 2.0
   77    74    75    65   0.29450  1.0 3.0
   77    74    75    79  -0.95700  1.0 1.0
   77    74    75    79  -0.18200 -1.0 2.0
   77    74    75    79   0.29450  1.0 3.0
   77    74    75    82  -0.95700  1.0 1.0
   77    74    75    82  -0.18200 -1.0 2.0
   77    74    75    82   0.29450  1.0 3.0
   77    74    76    86  -1.11000  1.0 1.0
   77    74    76    86   0.50250 -1.0 2.0
   77    74    76    86   0.47450  1.0 3.0
   77    87    99   100   0.91850  1.0 1.0
   77    87    99   100   0.57950  1.0 3.0
   78    77    87    88   0.00000  1.0 1.0
   78    77    87    89   0.00000  1.0 1.0
   78    77    87    99   0.30150 -1.0 2.0
   88    87    99   100   0.19450  1.0 3.0
   89    87    99   100   0.19450  1.0 3.0
   54    51    52    53   0.39650  1.0 1.0
   54    51    52    53  -0.18350 -1.0 2.0
   54    51    52    53   0.41450  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    60   0.56750  1.0 1.0
   54    51    52    60  -0.07550 -1.0 2.0
   54    51    52    60   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   74    87    77    78  10.50000 -1.0 2.0
END
