* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    235     445
    1     0 S   NP   _N1_     1    28.69163    96.48623   -23.01945
    2     1 S   H    _HN1     2     1.02829    39.11615   167.26682
    3     1 S   H    _H1_     3     1.02783   101.16822   -88.04876
    4     1 S   H    _H2_     4     1.02951    73.10208    17.94606
    5     1 S   CT   _CA1     5     1.50114   142.31256   119.63891
    6     5 S   HC   _HA1     6     1.09573   105.20581    89.12443
    7     5 S   CO3  _C1_     7     1.53793   112.43542   -31.11492
    8     7 S   O2Z  _O11     8     1.26371   115.00621   -42.91497
    9     7 S   O2Z  _O12     9     1.26239   114.94610   136.22088
   10     5 S   CT   _CB1    10     1.53084   107.42538  -152.89935
   11    10 S   HC   HB11    11     1.09830   109.38525   -49.84446
   12    10 S   HC   HB12    12     1.09814   110.43572    66.76255
   13    10 S   CT   _CG1    13     1.52989   112.60511  -170.84137
   14    13 S   HC   HG11    14     1.09588   110.58642   -64.97644
   15    13 S   HC   HG12    15     1.09668   109.83442    54.25310
   16    13 S   C    _CD1    16     1.51802   112.27428   174.69489
   17    16 S   O    _OE1    17     1.22728   123.30364     4.78348
   18    16 S   N    _N2_    18     1.38648   111.63622  -175.32752
   19    18 S   H    _HN2    19     1.01583   118.94548     1.76336
   20    18 S   CT1  _CA2    20     1.46202   123.39664   178.09607
   21    20 S   HC   _HA2    21     1.09737   109.37633     0.03956
   22    20 S   C    _C2_    22     1.53508   108.55526  -115.43339
   23    22 S   O    _O2_    23     1.23049   122.29731  -148.00411
   24    20 S   CT   _CB2    32     1.53375   111.56518   122.04752
   25    24 S   HC   HB21    33     1.09575   109.95749    56.17750
   26    24 S   HC   HB22    34     1.09406   110.00127   175.22439
   27    22 S   N    _N3_    24     1.38339   113.65417    39.45405
   28    27 S   H    _HN3    25     1.01600   119.56291    -3.44031
   29    24 S   S    _SG2    35     1.82838   111.36400   -64.69161
   30    27 S   CT   _CA3    26     1.45286   123.17810   177.06395
   31    30 S   HC   HA31    27     1.09551   107.51539   -64.31054
   32    30 S   HC   HA32    28     1.09558   107.97165    52.11600
   33    29 S   CT   _C14    36     1.84882   100.12464   172.01812
   34    33 S   HC   _H9_    37     1.09835   105.11195   -38.01447
   35    30 S   CO3  _C3_    29     1.52952   114.10243   174.10948
   36    35 S   O2Z  _O31    30     1.26373   116.06483    -0.68984
   37    35 S   O2Z  _O32    31     1.26430   114.41155   179.37006
   38    33 S   CT   _C13    38     1.53992   111.12573    76.29444
   39    38 S   HC   _H8_    39     1.10012   107.84348   -51.97520
   40    33 S   CT   _C5_    55     1.55911   112.54007  -153.19967
   41    40 S   HC   _H3_    56     1.09664   108.32610  -170.04335
   42    38 S   CT   _C12    40     1.53670   117.13798    68.00103
   43    42 S   HC   _H7_    41     1.09861   109.11254   -62.51736
   44    40 S   CT   _C4_    57     1.54664   108.69017    76.27356
   45    44 S   HC   _H10    58     1.09480   111.69514   -71.32669
   46    44 S   HC   _H11    59     1.09452   111.34814   167.86336
   47    44 S   HC   _H12    60     1.09553   111.07196    49.50128
   48    38 S   CO4  _C15    74     1.52474   108.92097  -163.39923
   49    48 S   O    _O33    75     1.22797   123.03133   100.72109
   50    48 S   HC   _H17    76     1.10175   116.83180   -77.03563
   51    42 S   CT   _C11    42     1.53724   116.55788    60.09528
   52    51 S   HC   _H6_    43     1.09414   111.25381    46.96096
   53    42 S   CO4  _C16    71     1.52470   107.76110  -175.52937
   54    53 S   O    _O34    72     1.22749   123.16936    97.27240
   55    53 S   HC   _H18    73     1.10426   116.14195   -79.70739
   56    51 S   CT   _C10    44     1.53898   114.31824   -78.85642
   57    56 S   HC   _H5_    45     1.10029   107.20297   -53.77853
   58    51 S   OH   _O35    69     1.43963   107.78516   162.55601
   59    58 S   HO   _H19    70     0.97328   107.96899    63.96949
   60    56 S   CT   _C9_    46     1.55162   110.54069  -169.05166
   61    60 S   HC   _H15    47     1.09824   109.82919   -31.92879
   62    60 S   HC   _H16    48     1.09608   111.49286    86.77064
   63    60 S   CT   _C8_    49     1.52899   106.14169  -150.65193
   64    63 S   CT   _C7_    50     1.53089   100.91200    37.69079
   65    64 S   HC   _H13    51     1.09569   111.62774  -163.15910
   66    64 S   HC   _H14    52     1.09799   110.39750    77.02330
   67    63 S   CT   _C17    61     1.53691   111.56069   -81.53146
   68    67 S   HC   _H20    62     1.09598   110.76770   -65.94356
   69    67 S   HC   _H21    63     1.09577   110.83113   174.55968
   70    67 S   HC   _H22    64     1.09430   112.65950    54.05780
   71    63 S   CT   _C18    65     1.53099   111.66094   156.14514
   72    71 S   HC   _H23    66     1.09563   111.02968    63.50746
   73    71 S   HC   _H24    67     1.09576   111.53660   -56.42293
   74    71 S   HC   _H25    68     1.09563   110.99678  -176.32129
   75    56 S   CT   _C6_    53     1.54957   119.54672    68.21815
   76    75 S   HC   _H4_    54     1.09826   106.74375  -129.34532
  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  10   5   4   3
  20   8   2   1   1  17   8  17   8  15   8   7   3   2   1   4
   1   1  15   7   4   1   1  14   8   3   1  16   6   5  13  12
   5   4   8   3   2   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    75    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    56    64    75    76    40    41    44    45    46    47    53    48    49    50  
   38    39    42    75    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    51    52    56    75    40    41    44    58    53    54    55    48    49    50  
   42    43    51    40    53    48    49    50  
   41    44    45    46    47    48    42    51    56    57    60    63    64    65    66    75    76  
   44    45    46    47    56    64    75    76  
   43    51    52    56    57    60    75    58    59    53    54    55    48    49    50  
   51    52    56    58    53    54    55    48  
   45    46    47    56    64    75    76  
   46    47    75  
   47    75  
   75  
   49    50    51    53  
   50  
    0  
   52    56    57    60    61    62    63    64    75    76    58    59    53    54    55  
   56    57    60    75    58    59    53  
   54    55    56    58  
   55  
    0  
   57    60    61    62    63    64    65    66    75    76    67    71    58    59  
   60    61    62    63    64    75    76    58  
   59    60    75  
    0  
   61    62    63    64    65    66    75    76    67    68    69    70    71    72    73    74  
   62    63    64    75    67    71  
   63    64    75    67    71  
   64    65    66    75    76    67    68    69    70    71    72    73    74  
   65    66    75    76    67    68    69    70    71    72    73    74  
   66    75    76    67    71  
   75    76    67    71  
   68    69    70    71    72    73    74    75  
   69    70    71  
   70    71  
   71  
   72    73    74    75  
   73    74  
   74  
    0  
   76  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    48   317.000  1.522
   42    43   340.000  1.090
   42    51   268.000  1.529
   42    53   317.000  1.522
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    58   320.000  1.410
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    75   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   63    71   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    75   268.000  1.529
   75    76   340.000  1.090
   75    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   553.000  0.945
   53    54   570.000  1.229
   53    55   340.000  1.090
   48    49   570.000  1.229
   48    50   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    48    63.00000  111.10000
   33    40    75    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    51    58.35000  112.70000
   38    42    53    63.00000  111.10000
   38    48    49    80.00000  120.40000
   38    48    50    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    51    52    37.50000  110.70000
   42    51    56    58.35000  112.70000
   42    51    58    50.00000  109.50000
   42    53    54    80.00000  120.40000
   42    53    55    35.00000  115.00000
   51    42    43    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    75    58.35000  112.70000
   51    58    59    55.00000  108.50000
   56    51    52    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    58.35000  112.70000
   56    75    64    58.35000  112.70000
   56    75    76    37.50000  110.70000
   56    75    40    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    67    58.35000  112.70000
   60    63    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    75    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    74    37.50000  110.70000
   64    75    76    37.50000  110.70000
   64    75    40    58.35000  112.70000
   66    64    65    33.00000  107.80000
   75    56    57    37.50000  110.70000
   75    56    60    58.35000  112.70000
   75    64    65    37.50000  110.70000
   75    64    66    37.50000  110.70000
   75    40    41    37.50000  110.70000
   75    40    44    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    75    76    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    63    64    58.35000  112.70000
   71    63    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    56    50.00000  109.50000
   53    42    43    35.00000  109.50000
   53    42    51    63.00000  111.10000
   55    53    54    35.00000  123.00000
   48    38    39    35.00000  109.50000
   48    38    42    63.00000  111.10000
   50    48    49    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    75   0.44750  1.0 1.0
   29    33    40    75  -0.17800 -1.0 2.0
   29    33    40    75   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    51   0.56750  1.0 1.0
   33    38    42    51  -0.07550 -1.0 2.0
   33    38    42    51   0.20000  1.0 3.0
   33    38    42    53  -0.95700  1.0 1.0
   33    38    42    53  -0.18200 -1.0 2.0
   33    38    42    53   0.29450  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    50   0.74550  1.0 1.0
   33    38    48    50  -0.00500 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    48  -0.11250  1.0 3.0
   34    33    40    75   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    75   0.56750  1.0 1.0
   38    33    40    75  -0.07550 -1.0 2.0
   38    33    40    75   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    56   0.56750  1.0 1.0
   38    42    51    56  -0.07550 -1.0 2.0
   38    42    51    56   0.20000  1.0 3.0
   38    42    51    58   0.86500  1.0 1.0
   38    42    51    58  -0.17500 -1.0 2.0
   38    42    51    58   0.20800  1.0 3.0
   38    42    53    54   0.30150 -1.0 2.0
   38    42    53    55   0.74550  1.0 1.0
   38    42    53    55  -0.00500 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   39    38    42    53  -0.11250  1.0 3.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    50   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    50   0.74550  1.0 1.0
   42    38    48    50  -0.00500 -1.0 2.0
   42    51    56    57   0.15000  1.0 3.0
   42    51    56    60   0.56750  1.0 1.0
   42    51    56    60  -0.07550 -1.0 2.0
   42    51    56    60   0.20000  1.0 3.0
   42    51    56    75   0.56750  1.0 1.0
   42    51    56    75  -0.07550 -1.0 2.0
   42    51    56    75   0.20000  1.0 3.0
   42    51    58    59  -0.11600  1.0 1.0
   42    51    58    59  -0.09450 -1.0 2.0
   42    51    58    59   0.21250  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    56   0.15000  1.0 3.0
   43    42    51    58   0.23400  1.0 3.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    55   0.00000  1.0 1.0
   51    42    53    54   0.30150 -1.0 2.0
   51    42    53    55   0.74550  1.0 1.0
   51    42    53    55  -0.00500 -1.0 2.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    62   0.15000  1.0 3.0
   51    56    60    63   0.56750  1.0 1.0
   51    56    60    63  -0.07550 -1.0 2.0
   51    56    60    63   0.20000  1.0 3.0
   51    56    75    64   0.56750  1.0 1.0
   51    56    75    64  -0.07550 -1.0 2.0
   51    56    75    64   0.20000  1.0 3.0
   51    56    75    76   0.15000  1.0 3.0
   51    56    75    40   0.56750  1.0 1.0
   51    56    75    40  -0.07550 -1.0 2.0
   51    56    75    40   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   52    51    56    75   0.15000  1.0 3.0
   52    51    58    59   0.19450  1.0 3.0
   56    51    58    59  -0.11600  1.0 1.0
   56    51    58    59  -0.09450 -1.0 2.0
   56    51    58    59   0.21250  1.0 3.0
   56    60   -63    64   0.56750  1.0 1.0
   56    60   -63    64  -0.07550 -1.0 2.0
   56    60   -63    64   0.20000  1.0 3.0
   56    60    63    67   0.56750  1.0 1.0
   56    60    63    67  -0.07550 -1.0 2.0
   56    60    63    67   0.20000  1.0 3.0
   56    60    63    71   0.56750  1.0 1.0
   56    60    63    71  -0.07550 -1.0 2.0
   56    60    63    71   0.20000  1.0 3.0
   56    75    40    33   0.56750  1.0 1.0
   56    75    40    33  -0.07550 -1.0 2.0
   56    75    40    33   0.20000  1.0 3.0
   56    75    40    41   0.15000  1.0 3.0
   56    75    40    44   0.56750  1.0 1.0
   56    75    40    44  -0.07550 -1.0 2.0
   56    75    40    44   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   57    56    75    64   0.15000  1.0 3.0
   57    56    75    76   0.15000  1.0 3.0
   57    56    75    40   0.15000  1.0 3.0
   60    56   -75    64   0.56750  1.0 1.0
   60    56   -75    64  -0.07550 -1.0 2.0
   60    56   -75    64   0.20000  1.0 3.0
   60    56    75    76   0.15000  1.0 3.0
   60    56    75    40   0.56750  1.0 1.0
   60    56    75    40  -0.07550 -1.0 2.0
   60    56    75    40   0.20000  1.0 3.0
   60    63    64    65   0.15000  1.0 3.0
   60    63    64    66   0.15000  1.0 3.0
   60    63   -64    75   0.56750  1.0 1.0
   60    63   -64    75  -0.07550 -1.0 2.0
   60    63   -64    75   0.20000  1.0 3.0
   60    63    67    68   0.15000  1.0 3.0
   60    63    67    69   0.15000  1.0 3.0
   60    63    67    70   0.15000  1.0 3.0
   60    63    71    72   0.15000  1.0 3.0
   60    63    71    73   0.15000  1.0 3.0
   60    63    71    74   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    67   0.15000  1.0 3.0
   61    60    63    71   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    67   0.15000  1.0 3.0
   62    60    63    71   0.15000  1.0 3.0
   63    64   -75    56   0.56750  1.0 1.0
   63    64   -75    56  -0.07550 -1.0 2.0
   63    64   -75    56   0.20000  1.0 3.0
   63    64    75    76   0.15000  1.0 3.0
   63    64    75    40   0.56750  1.0 1.0
   63    64    75    40  -0.07550 -1.0 2.0
   63    64    75    40   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    74   0.15000  1.0 3.0
   64    75    40    33   0.56750  1.0 1.0
   64    75    40    33  -0.07550 -1.0 2.0
   64    75    40    33   0.20000  1.0 3.0
   64    75    40    41   0.15000  1.0 3.0
   64    75    40    44   0.56750  1.0 1.0
   64    75    40    44  -0.07550 -1.0 2.0
   64    75    40    44   0.20000  1.0 3.0
   65    64    75    56   0.15000  1.0 3.0
   65    64    75    76   0.15000  1.0 3.0
   65    64    75    40   0.15000  1.0 3.0
   66    64    75    56   0.15000  1.0 3.0
   66    64    75    76   0.15000  1.0 3.0
   66    64    75    40   0.15000  1.0 3.0
   75    56    60    61   0.15000  1.0 3.0
   75    56    60    62   0.15000  1.0 3.0
   75    56   -60    63   0.56750  1.0 1.0
   75    56   -60    63  -0.07550 -1.0 2.0
   75    56   -60    63   0.20000  1.0 3.0
   75    40    44    45   0.15000  1.0 3.0
   75    40    44    46   0.15000  1.0 3.0
   75    40    44    47   0.15000  1.0 3.0
   76    75    40    33   0.15000  1.0 3.0
   76    75    40    41   0.15000  1.0 3.0
   76    75    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    75   0.56750  1.0 1.0
   67    63    64    75  -0.07550 -1.0 2.0
   67    63    64    75   0.20000  1.0 3.0
   67    63    71    72   0.15000  1.0 3.0
   67    63    71    73   0.15000  1.0 3.0
   67    63    71    74   0.15000  1.0 3.0
   71    63    64    65   0.15000  1.0 3.0
   71    63    64    66   0.15000  1.0 3.0
   71    63    64    75   0.56750  1.0 1.0
   71    63    64    75  -0.07550 -1.0 2.0
   71    63    64    75   0.20000  1.0 3.0
   71    63    67    68   0.15000  1.0 3.0
   71    63    67    69   0.15000  1.0 3.0
   71    63    67    70   0.15000  1.0 3.0
   58    51    56    57   0.23400  1.0 3.0
   58    51    56    60   0.86500  1.0 1.0
   58    51    56    60  -0.17500 -1.0 2.0
   58    51    56    60   0.20800  1.0 3.0
   58    51    56    75   0.86500  1.0 1.0
   58    51    56    75  -0.17500 -1.0 2.0
   58    51    56    75   0.20800  1.0 3.0
   53    42    51    52  -0.11250  1.0 3.0
   53    42    51    56  -0.95700  1.0 1.0
   53    42    51    56  -0.18200 -1.0 2.0
   53    42    51    56   0.29450  1.0 3.0
   53    42    51    58  -0.09450  1.0 1.0
   53    42    51    58  -1.12950 -1.0 2.0
   53    42    51    58   0.54000  1.0 3.0
   48    38    42    43  -0.11250  1.0 3.0
   48    38    42    51  -0.95700  1.0 1.0
   48    38    42    51  -0.18200 -1.0 2.0
   48    38    42    51   0.29450  1.0 3.0
   48    38    42    53   0.11950  1.0 1.0
   48    38    42    53   0.20300 -1.0 2.0
   48    38    42    53  -0.70800  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
   36    30    35    37  10.50000 -1.0 2.0
   42    55    53    54  10.50000 -1.0 2.0
   38    50    48    49  10.50000 -1.0 2.0
END
