* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    152    238     442
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02068    89.70440   -69.58563
    3     1 S   H    _H1_     3     1.02077    90.85558    39.11919
    4     1 S   H    _H2_     4     1.02061    32.86228   163.72019
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.83973    98.13159  -158.22023
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C19    37     1.54846   109.46311  -160.02165
   38    37 S   HC   _H17    38     1.08990   112.48720    22.22934
   39    33 S   OH   _O35    82     1.41832   109.73348   -37.25094
   40    39 S   HO   _H22    83     0.96980   106.42971   -61.49958
   41    37 S   C    _C20    39     1.51373   103.83647   -92.85293
   42    41 S   O    _O33    40     1.22165   125.20717   167.14335
   43    37 S   CO4  _C21    76     1.49983   113.18861   145.47492
   44    43 S   O    _O34    77     1.22994   121.64421    84.39911
   45    41 S   N    _N5_    41     1.38736   107.91820   -14.85233
   46    45 S   H    _H18    42     1.02305   123.17248   178.79846
   47    43 S   CT   _C22    78     1.50546   116.69783   -95.51002
   48    47 S   HC   _H19    79     1.09289   109.71924    90.03430
   49    47 S   HC   _H20    80     1.09226   109.57802   -29.48994
   50    47 S   HC   _H21    81     1.09276   109.54579  -150.50148
   51    33 S   CT   _C17    43     1.54283   109.44989    86.26572
   52    51 S   HC   _H3_    44     1.08815   111.90420   -21.78380
   53    51 S   CT   _C16    45     1.52794   114.76741  -147.44468
   54    53 S   HC   _H15    46     1.09438   109.23359    65.94478
   55    53 S   HC   _H16    47     1.09443   109.62040   -51.80728
   56    53 S   C5B  _C14    48     1.49035   111.87558  -173.07474
   57    56 S   C56B _C13    49     1.45137   128.68125   -76.04464
   58    56 S   C5A  _C15    60     1.46618   126.25005   103.93354
   59    58 S   HA   _H13    61     1.09339   124.41045     0.07402
   60    57 S   CA   _C8_    50     1.37848   134.28007    -0.01978
   61    60 S   CA   _C9_    51     1.40016   117.42234  -180.00000
   62    61 S   HA   _H10    52     1.08752   120.01684  -180.00000
   63    60 S   CT   _C7_    62     1.48799   122.55194     0.08847
   64    63 S   HC   _H8_    63     1.10521   110.29876   -45.05781
   65    63 S   HC   _H9_    64     1.10168   110.52531    68.80485
   66    61 S   CA   _C10    53     1.41085   121.16888     0.01978
   67    66 S   HA   _H11    54     1.08748   119.19919  -179.96044
   68    63 S   CM   _C6_    65     1.51079   113.06959  -165.35558
   69    68 S   HC   _H7_    66     1.08981   113.99555   -87.41097
   70    66 S   CA   _C11    55     1.39666   121.12533     0.00000
   71    70 S   HA   _H12    56     1.08410   120.97675  -179.96574
   72    68 S   CM   _C5_    67     1.34646   128.13961    91.93443
   73    57 S   C56A _C12    57     1.40430   104.78923  -180.00000
   74    72 S   CT   _C4_    68     1.50228   125.26634   180.00000
   75    74 S   HC   _H4_    69     1.09116   113.66242    90.04789
   76    74 S   HC   _H5_    70     1.09618   110.01035  -150.10134
   77    74 S   HC   _H6_    71     1.09420   110.09668   -30.85769
   78    72 S   CT   _C23    72     1.50572   120.38614    -0.46688
   79    78 S   HC   _H23    73     1.09577   112.42967    89.96298
   80    78 S   HC   _H24    74     1.09454   110.24474  -149.94883
   81    78 S   HC   _H25    75     1.09503   110.25817   -30.16810
   82    73 S   NA   _N4_    58     1.40119   110.53471    -0.01978
   83    82 S   H    _H14    59     1.01788   123.84207  -179.96044
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  16   8   7   1   9   4   7   4   7   3   3   2
   1   1   7   4   9   4   3  10  15   6   3  13  10   4   9   4
   3   5   3  10   3   4   2   8   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    51    52    53    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    46    51    52    53    54    55    56    43    44    47    39    40  
   35    36  
   36  
    0  
   38    41    42    45    46    51    52    53    43    44    47    48    49    50    39    40  
   41    42    45    51    43    44    47    39  
   40    41    43    45    51    52    53  
   51  
   42    45    46    51    52    53    43    44    47  
   45    46    51    43  
   44    47    48    49    50    45    51  
   47    48    49    50  
   46    51    52    53    54    55    56  
   51    52    53  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58  
   53    54    55    56  
   54    55    56    57    60    73    82    58    59  
   55    56    57    58  
   56    57    58  
   57    60    61    70    73    82    83    58    59    63  
   60    61    62    66    70    71    73    82    83    58    59    63    64    65    68  
   59    60    70    73    82    83  
   73    82    83  
   61    62    66    67    70    73    82    63    64    65    68    69    72  
   62    66    67    70    71    73    63    64    65    68  
   66    67    70    63  
   64    65    68    69    72    74    78    66    73  
   65    68    69    72  
   68    69    72  
   67    70    71    73    82  
   70    71    73  
   69    72    74    75    76    77    78    79    80    81  
   72    74    78  
   71    73    82    83  
   73    82  
   74    75    76    77    78    79    80    81  
   82    83  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83  
    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   0.432500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   83   0.5000   0.0300   0.357700   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    39   320.000  1.410
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   317.000  1.522
   41    42   570.000  1.229
   41    45   490.000  1.335
   45    46   434.000  1.010
   45    51   337.000  1.449
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   295.000  1.494
   56    57   380.000  1.440
   56    58   520.000  1.370
   57    60   469.000  1.404
   57    73   447.000  1.419
   60    61   469.000  1.400
   60    63   317.000  1.510
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    82   428.000  1.380
   82    83   434.000  1.010
   82    58   427.000  1.381
   58    59   367.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   317.000  1.510
   68    69   340.000  1.080
   68    72   549.000  1.340
   72    74   317.000  1.510
   72    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   39    40   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    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    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    63.00000  111.10000
   33    51    45    70.00000  110.72300
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    80.00000  120.40000
   37    41    45    70.00000  116.60000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.00000
   41    37    38    35.00000  109.50000
   41    45    46    35.00000  119.80000
   41    45    51    50.00000  121.90000
   45    41    42    80.00000  122.90000
   45    51    52    35.00000  109.50000
   45    51    53    70.00000  110.72300
   51    33    37    58.35000  112.70000
   51    45    46    38.00000  118.40000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    70.00000  112.62400
   53    51    52    37.50000  110.70000
   53    56    57    55.00000  128.73000
   53    56    58    55.00000  127.77900
   55    53    54    33.00000  107.80000
   56    53    54    45.00000  111.11700
   56    53    55    45.00000  111.11700
   56    57    60    50.00000  134.85500
   56    57    73    80.00000  107.43600
   56    58    82    70.00000  106.30000
   56    58    59    35.00000  130.70000
   57    60    61    63.00000  120.00000
   57    60    63    70.00000  120.00000
   57    73    70    85.00000  122.70000
   57    73    82    70.00000  104.40000
   60    61    62    35.00000  120.00000
   60    61    66    63.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    68    70.00000  112.99600
   61    66    67    35.00000  120.00000
   61    66    70    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    73    85.00000  120.00000
   70    66    67    35.00000  120.00000
   70    73    82    70.00000  132.80000
   73    57    60    85.00000  116.20000
   73    70    71    35.00000  120.00000
   73    82    83    35.00000  123.10000
   73    82    58    90.00000  107.14200
   82    58    59    35.00000  121.60000
   58    56    57    80.00000  105.82900
   58    82    83    35.00000  120.00000
   63    60    61    70.00000  120.00000
   63    68    69    35.00000  117.00000
   63    68    72    70.00000  124.00000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    72    74    70.00000  124.00000
   68    72    78    70.00000  124.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    41    70.00000  107.85200
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    80.00000  120.40000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   39    33    37    50.00000  109.50000
   39    33    51    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    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
   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    45   0.56750  1.0 1.0
   29    33    51    45  -0.07550 -1.0 2.0
   29    33    51    45   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    45   1.39750  1.0 1.0
   33    37   -41    45  -0.07950 -1.0 2.0
   33    37   -41    45  -0.18750  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    47   0.60050  1.0 1.0
   33    37    43    47   0.05600 -1.0 2.0
   33    37    43    47   0.26150  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56  -0.03700  1.0 1.0
   33    51    53    56   0.37200 -1.0 2.0
   33    51    53    56  -0.47300  1.0 3.0
   37    33   -51    45   0.43900  1.0 1.0
   37    33   -51    45   0.49100 -1.0 2.0
   37    33   -51    45   0.28400  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.56750  1.0 1.0
   37    33    51    53  -0.07550 -1.0 2.0
   37    33    51    53   0.20000  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    41    45    46   2.45000 -1.0 2.0
   37    41   -45    51   1.49850  1.0 1.0
   37    41   -45    51   1.53950 -1.0 2.0
   37    43    47    48   0.00000  1.0 1.0
   37    43    47    49   0.00000  1.0 1.0
   37    43    47    50   0.00000  1.0 1.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    45   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    47   0.00000  1.0 1.0
   41    37    43    44   0.30150 -1.0 2.0
   41    37    43    47   0.65300  1.0 1.0
   41    37    43    47  -0.03850 -1.0 2.0
   41    37    43    47   0.33900  1.0 3.0
   41    45   -51    33  -0.43950  1.0 1.0
   41    45   -51    33  -0.08100 -1.0 2.0
   41    45   -51    33   0.03350  1.0 3.0
   41    45    51    52   0.00000  1.0 1.0
   41    45    51    53  -0.43950  1.0 1.0
   41    45    51    53  -0.08100 -1.0 2.0
   41    45    51    53   0.03350  1.0 3.0
   42    41    45    46   2.45000 -1.0 2.0
   42    41    45    51   3.04450 -1.0 2.0
   45    51    53    54   0.15000  1.0 3.0
   45    51    53    55   0.15000  1.0 3.0
   45    51    53    56   0.08550  1.0 1.0
   45    51    53    56   1.07500 -1.0 2.0
   45    51    53    56  -0.10950  1.0 3.0
   46    45    51    33   0.00000  1.0 1.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    41  -0.95700  1.0 1.0
   51    33   -37    41  -0.18200 -1.0 2.0
   51    33   -37    41   0.29450  1.0 3.0
   51    33    37    43  -0.95700  1.0 1.0
   51    33    37    43  -0.18200 -1.0 2.0
   51    33    37    43   0.29450  1.0 3.0
   51    33    39    40  -0.11600  1.0 1.0
   51    33    39    40  -0.09450 -1.0 2.0
   51    33    39    40   0.21250  1.0 3.0
   51    53    56    57   0.04150 -1.0 2.0
   51    53    56    58   0.04150 -1.0 2.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.43200  1.0 3.0
   53    56    57    60   3.62500 -1.0 2.0
   53    56    57    73   3.62500 -1.0 2.0
   53    56    58    82   3.62500 -1.0 2.0
   53    56    58    59   3.62500 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    58   0.00000  1.0 1.0
   56    57    60    61   3.62500 -1.0 2.0
   56    57    60    63   3.62500 -1.0 2.0
   56    57    73    70   3.00000 -1.0 2.0
   56    57   -73    82   3.00000 -1.0 2.0
   57    56   -58    82   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    60    61    62   3.62500 -1.0 2.0
   57    60    61    66   3.62500 -1.0 2.0
   57    60    63    64   0.00000  1.0 1.0
   57    60    63    65   0.00000  1.0 1.0
   57    60    63    68   0.18050 -1.0 2.0
   57    73    82    83   1.52500 -1.0 2.0
   57    73   -82    58   3.62500 -1.0 2.0
   60    57    73    70   3.00000 -1.0 2.0
   60    57    73    82   3.00000 -1.0 2.0
   60    61    66    67   3.62500 -1.0 2.0
   60    61   -66    70   3.62500 -1.0 2.0
   60    63    68    69   0.00000  1.0 1.0
   60    63    68    72   1.44450  1.0 1.0
   60    63    68    72   0.06600 -1.0 2.0
   60    63    68    72   0.29250  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    65   0.00000  1.0 1.0
   61    60    63    68   0.18050 -1.0 2.0
   61    66    70    71   3.62500 -1.0 2.0
   61    66    70    73   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    70   3.62500 -1.0 2.0
   66    70   -73    57   3.62500 -1.0 2.0
   66    70    73    82   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    73   3.62500 -1.0 2.0
   70    73    82    83   1.52500 -1.0 2.0
   70    73    82    58   3.62500 -1.0 2.0
   71    70    73    57   3.62500 -1.0 2.0
   71    70    73    82   3.62500 -1.0 2.0
   73    57   -60    61   3.50000 -1.0 2.0
   73    57    60    63   3.62500 -1.0 2.0
   73    82   -58    56   3.62500 -1.0 2.0
   73    82    58    59   3.62500 -1.0 2.0
   83    82    58    56   1.40000 -1.0 2.0
   83    82    58    59   2.00000 -1.0 2.0
   58    56    57    60   3.62500 -1.0 2.0
   58    56   -57    73   3.50000 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    66   3.62500 -1.0 2.0
   63    68    72    74   7.00000 -1.0 2.0
   63    68    72    78   7.00000 -1.0 2.0
   64    63    68    69   0.33100  1.0 3.0
   64    63    68    72   0.00000  1.0 1.0
   65    63    68    69   0.33100  1.0 3.0
   65    63    68    72   0.00000  1.0 1.0
   68    72    74    75   0.00000  1.0 1.0
   68    72    74    76   0.00000  1.0 1.0
   68    72    74    77   0.00000  1.0 1.0
   68    72    78    79   0.00000  1.0 1.0
   68    72    78    80   0.00000  1.0 1.0
   68    72    78    81   0.00000  1.0 1.0
   69    68    72    74   7.00000 -1.0 2.0
   69    68    72    78   7.00000 -1.0 2.0
   74    72    78    79   0.34800  1.0 3.0
   74    72    78    80   0.34800  1.0 3.0
   74    72    78    81   0.34800  1.0 3.0
   78    72    74    75   0.34800  1.0 3.0
   78    72    74    76   0.34800  1.0 3.0
   78    72    74    77   0.34800  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    45   0.00000  1.0 1.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    50   0.00000  1.0 1.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41  -0.09450  1.0 1.0
   39    33    37    41  -1.12950 -1.0 2.0
   39    33    37    41   0.54000  1.0 3.0
   39    33    37    43  -0.09450  1.0 1.0
   39    33    37    43  -1.12950 -1.0 2.0
   39    33    37    43   0.54000  1.0 3.0
   39    33    51    45   2.76900  1.0 1.0
   39    33    51    45  -0.24350 -1.0 2.0
   39    33    51    45  -0.78250  1.0 3.0
   39    33    51    52   0.23400  1.0 3.0
   39    33    51    53   0.86500  1.0 1.0
   39    33    51    53  -0.17500 -1.0 2.0
   39    33    51    53   0.20800  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   37    45    41    42  10.50000 -1.0 2.0
   46    41    45    51   1.00000 -1.0 2.0
   57    58    56    53   4.00000 -1.0 2.0
   60    73    57    56   4.00000 -1.0 2.0
   61    63    60    57   4.00000 -1.0 2.0
   66    62    61    60   1.10000 -1.0 2.0
   70    67    66    61   1.10000 -1.0 2.0
   73    71    70    66   1.10000 -1.0 2.0
   70    82    73    57   4.00000 -1.0 2.0
   83    73    82    58   1.00000 -1.0 2.0
   82    59    58    56   1.10000 -1.0 2.0
   63    69    68    72  15.00000 -1.0 2.0
   74    78    72    68  15.00000 -1.0 2.0
   37    47    43    44  10.50000 -1.0 2.0
END
