* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.80487    95.19496   -20.18447
    2     1 S   H    _HN1     2     1.02839    38.81456   137.06986
    3     1 S   H    _H1_     3     1.02772    84.73649   -95.47278
    4     1 S   H    _H2_     4     1.02952    85.89221    13.48263
    5     1 S   CT   _CA1     5     1.50168   149.46071   137.91224
    6     5 S   HC   _HA1     6     1.09547   105.21258    58.87101
    7     5 S   CO3  _C1_     7     1.53927   112.67501   -61.40835
    8     7 S   O2Z  _O11     8     1.26396   114.97277   -30.48690
    9     7 S   O2Z  _O12     9     1.26254   115.13888   148.97802
   10     5 S   CT   _CB1    10     1.53128   107.46698   177.35100
   11    10 S   HC   HB11    11     1.09819   109.85561   -44.02356
   12    10 S   HC   HB12    12     1.09835   110.11444    72.71398
   13    10 S   CT   _CG1    13     1.52994   112.64063  -164.90085
   14    13 S   HC   HG11    14     1.09527   110.59770   -59.54824
   15    13 S   HC   HG12    15     1.09630   110.02352    59.81615
   16    13 S   C    _CD1    16     1.51685   112.37556  -179.36234
   17    16 S   O    _OE1    17     1.22698   123.32193    -0.84047
   18    16 S   N    _N2_    18     1.38653   111.47928   178.21655
   19    18 S   H    _HN2    19     1.01584   119.08439     4.27512
   20    18 S   CT1  _CA2    20     1.46163   123.25091  -173.90024
   21    20 S   HC   _HA2    21     1.09722   109.37674   -12.00137
   22    20 S   C    _C2_    22     1.53307   108.66145  -128.06620
   23    22 S   O    _O2_    23     1.23013   122.15558  -146.15062
   24    20 S   CT   _CB2    32     1.53508   111.08845   109.70022
   25    24 S   HC   HB21    33     1.09457   109.83451    60.26578
   26    24 S   HC   HB22    34     1.09529   110.48005   178.21042
   27    22 S   N    _N3_    24     1.38475   113.38047    41.15855
   28    27 S   H    _HN3    25     1.01530   118.91535    -0.56890
   29    24 S   S    _SG2    35     1.82971   111.63209   -62.53952
   30    27 S   CT   _CA3    26     1.45457   123.48045   175.08981
   31    30 S   HC   HA31    27     1.09519   109.28839    23.37821
   32    30 S   HC   HA32    28     1.09495   107.11153   140.40021
   33    29 S   CT   _C25    36     1.84880   100.40858   139.39221
   34    33 S   HC   _H3_    37     1.09732   106.03632    50.13576
   35    30 S   CO3  _C3_    29     1.52923   113.06999  -100.12676
   36    35 S   O2Z  _O31    30     1.26403   115.38299   -44.58335
   37    35 S   O2Z  _O32    31     1.26350   114.98914   136.32694
   38    33 S   CT   _C23    38     1.54850   108.45929   165.69510
   39    38 S   HC   _H38    39     1.09307   106.92750   -49.50065
   40    33 S   CT   _C24    70     1.54463   111.44978   -69.31109
   41    40 S   HC   _H39    71     1.09606   111.92347    12.28203
   42    38 S   CA   _C21    40     1.52904   112.76271    73.43563
   43    40 S   OH   _O25    72     1.43619   108.50608   128.01558
   44    43 S   HO   _H43    73     0.97219   107.74341   -64.03077
   45    38 S   OH   _O24    76     1.42886   109.25218  -165.91107
   46    45 S   HO   _H42    77     0.97234   107.71063    57.98491
   47    42 S   CA   _C19    41     1.45699   123.54210  -133.37550
   48    47 S   CA   _C17    42     1.45057   126.67885   -18.40585
   49    47 S   CA   _C18    62     1.42253   116.41185   161.16598
   50    48 S   CA   _C11    43     1.42159   122.93025   -17.99383
   51    50 S   HA   _H34    44     1.08426   120.85755    -6.92339
   52    49 S   CA   _C12    63     1.41709   117.96374    13.29093
   53    52 S   HA   _H35    64     1.08692   121.61837   174.09004
   54    50 S   CA   _C7_    45     1.39432   124.11880   176.50094
   55    54 S   HA   _H30    46     1.08556   120.25969  -179.15791
   56    52 S   CA   _C13    65     1.38823   123.63202    -5.03497
   57    56 S   HA   _H36    66     1.08603   118.58626   178.32089
   58    54 S   CA   _C6_    47     1.37388   119.12934     1.62702
   59    58 S   HA   _H29    48     1.08536   120.67808  -179.77272
   60    42 S   CA   _C20    67     1.41760   114.19736    41.02127
   61    58 S   CA   _C9_    49     1.39131   118.86309     2.74851
   62    61 S   HA   _H32    50     1.08633   115.17607   176.80132
   63    60 S   CT   _C22    68     1.51356   119.17141     9.80768
   64    63 S   HC   _H37    69     1.09677   108.13102    71.15698
   65    48 S   CA   _C15    51     1.42311   120.90471   165.60758
   66    63 S   OH   _O23    74     1.43142   113.39117  -172.81430
   67    66 S   HO   _H41    75     0.97312   108.63926    54.41201
   68    65 S   CA   _C14    52     1.42843   119.91370     5.81884
   69    68 S   CA   _C8_    53     1.42577   122.70012  -178.51457
   70    69 S   HA   _H31    54     1.08639   121.49279     2.55313
   71    69 S   CA   _C4_    55     1.39278   123.27647  -177.36404
   72    71 S   HA   _H27    56     1.08554   120.30922   179.92087
   73    71 S   CA   _C5_    57     1.37546   119.12301    -0.00000
   74    73 S   HA   _H28    58     1.08559   120.55668  -179.83687
   75    73 S   CA   _C10    59     1.39361   119.18097    -0.43069
   76    75 S   HA   _H33    60     1.08675   115.02768  -178.39758
   77    68 S   CA   _C16    61     1.41689   119.52161     3.53269
  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
  15   8   2   1   1  13   6  11   6  15   5   1   3   1  15  14
  13   8   4   8   4   6   3   6   2   5   3   4   5   2   3   2
   6   1   1   8   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    63    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    60    63    64    40    41    43    44    66    45    46  
   38    39    42    63    40    41    43    45  
   36    37  
   37  
    0  
   39    42    47    48    49    56    60    63    40    41    43    45    46  
   42    47    60    40    45    46  
   41    43    44    66    67    45    42    56    60    63    64  
   43    44    66    60    63    64  
   47    48    50    65    77    49    52    56    57    60    63    64    66    45    46  
   44    66    60    63    64  
   63  
   46    47    60  
    0  
   48    50    51    54    61    65    68    75    77    49    52    53    56    60    63  
   50    51    54    55    58    61    62    65    68    69    77    49    52    60  
   52    53    56    57    60    50    65    68    69    73    75    76    77  
   51    54    55    58    59    61    65    68  
   54    55    58    65  
   53    56    57    60    63    68    75    77  
   56    57    60    77  
   55    58    59    61    62    65  
   58    59    61  
   57    60    63    64    66    77  
   60    63  
   59    61    62    65    68  
   61    62    65  
   63    64    66    67  
   62    65    68    69    77  
   65    68  
   64    66    67  
   66    67  
   68    69    70    71    75    77  
   67  
    0  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   38    45   320.000  1.410
   42    47   469.000  1.400
   42    60   469.000  1.400
   47    48   469.000  1.400
   47    49   469.000  1.400
   48    50   469.000  1.400
   48    65   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    68   469.000  1.400
   68    69   469.000  1.400
   68    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    49   469.000  1.400
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    63   317.000  1.510
   63    64   340.000  1.090
   63    40   268.000  1.529
   63    66   320.000  1.410
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   66    67   553.000  0.945
   45    46   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    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    70.00000  112.17500
   33    38    45    50.00000  109.50000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    70.00000  120.00000
   38    42    60    70.00000  120.00000
   38    45    46    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    47    48    63.00000  120.00000
   42    47    49    63.00000  120.00000
   42    60    56    63.00000  120.00000
   42    60    63    70.00000  120.00000
   47    48    50    63.00000  120.00000
   47    48    65    63.00000  120.00000
   47    49    77    63.00000  120.00000
   47    49    52    63.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    54    63.00000  120.00000
   48    65    61    63.00000  120.00000
   48    65    68    63.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    61    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    65    63.00000  120.00000
   61    58    59    35.00000  120.00000
   61    65    68    63.00000  120.00000
   65    48    50    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    68    69    63.00000  120.00000
   65    68    77    63.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    77    75    63.00000  120.00000
   68    77    49    63.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    49    63.00000  120.00000
   77    68    69    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    49    52    63.00000  120.00000
   49    47    48    63.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    60    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    60    63    70.00000  120.00000
   60    42    47    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    40    70.00000  112.17500
   60    63    66    90.00000  112.51600
   63    40    41    37.50000  110.70000
   63    40    43    50.00000  109.50000
   63    66    67    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   66    63    64    35.00000  109.50000
   66    63    40    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    90.00000  112.51600
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   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    47   0.04150 -1.0 2.0
   33    38    42    60   0.04150 -1.0 2.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    38    45   0.23400  1.0 3.0
   34    33    40    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    63   0.56750  1.0 1.0
   38    33    40    63  -0.07550 -1.0 2.0
   38    33    40    63   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.86500  1.0 1.0
   38    33    40    43  -0.17500 -1.0 2.0
   38    33    40    43   0.20800  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   38    42    60    56   3.62500 -1.0 2.0
   38    42   -60    63   3.62500 -1.0 2.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    60   0.00000  1.0 1.0
   39    38    45    46   0.19450  1.0 3.0
   42    38    45    46   0.31900  1.0 1.0
   42    38    45    46  -0.11800 -1.0 2.0
   42    38    45    46   0.38750  1.0 3.0
   42    47    48    50   3.62500 -1.0 2.0
   42    47    48    65   3.62500 -1.0 2.0
   42    47    49    77   3.62500 -1.0 2.0
   42    47    49    52   3.62500 -1.0 2.0
   42    60    63    64   0.00000  1.0 1.0
   42    60    63    40   0.04150 -1.0 2.0
   42    60    63    66   0.14300 -1.0 2.0
   42    60    63    66   0.00300  1.0 3.0
   47    42    60    56   3.62500 -1.0 2.0
   47    42    60    63   3.62500 -1.0 2.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    54   3.62500 -1.0 2.0
   47    48    65    61   3.62500 -1.0 2.0
   47    48    65    68   3.62500 -1.0 2.0
   47    49    52    53   3.62500 -1.0 2.0
   47    49   -52    56   3.62500 -1.0 2.0
   48    47    49    77   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    58   3.62500 -1.0 2.0
   48    65    68    69   3.62500 -1.0 2.0
   48    65   -68    77   3.62500 -1.0 2.0
   50    48    65    61   3.62500 -1.0 2.0
   50    48    65    68   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54   -58    61   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    58    61    62   3.62500 -1.0 2.0
   54    58    61    65   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    61   -65    48   3.62500 -1.0 2.0
   58    61    65    68   3.62500 -1.0 2.0
   59    58    61    62   3.62500 -1.0 2.0
   59    58    61    65   3.62500 -1.0 2.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65    68    77   3.62500 -1.0 2.0
   62    61    65    48   3.62500 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   65    48    50    51   3.62500 -1.0 2.0
   65    48   -50    54   3.62500 -1.0 2.0
   65    68    69    70   3.62500 -1.0 2.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    77    75   3.62500 -1.0 2.0
   65    68    77    49   3.62500 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   68    77   -49    47   3.62500 -1.0 2.0
   68    77    49    52   3.62500 -1.0 2.0
   69    68    77    75   3.62500 -1.0 2.0
   69    68    77    49   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    68   3.62500 -1.0 2.0
   73    75    77    49   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    49    47   3.62500 -1.0 2.0
   75    77    49    52   3.62500 -1.0 2.0
   76    75    77    68   3.62500 -1.0 2.0
   76    75    77    49   3.62500 -1.0 2.0
   77    68    69    70   3.62500 -1.0 2.0
   77    68   -69    71   3.62500 -1.0 2.0
   77    49    52    53   3.62500 -1.0 2.0
   77    49    52    56   3.62500 -1.0 2.0
   49    47    48    50   3.62500 -1.0 2.0
   49    47   -48    65   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    56    60   3.62500 -1.0 2.0
   52    56   -60    42   3.62500 -1.0 2.0
   52    56    60    63   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    60   3.62500 -1.0 2.0
   56    60    63    64   0.00000  1.0 1.0
   56    60    63    40   0.04150 -1.0 2.0
   56    60    63    66   0.14300 -1.0 2.0
   56    60    63    66   0.00300  1.0 3.0
   57    56    60    42   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    42    47    48   3.62500 -1.0 2.0
   60    42   -47    49   3.62500 -1.0 2.0
   60    63   -40    33  -0.03700  1.0 1.0
   60    63   -40    33   0.37200 -1.0 2.0
   60    63   -40    33  -0.47300  1.0 3.0
   60    63    40    41   0.43200  1.0 3.0
   60    63    40    43   1.13150  1.0 1.0
   60    63    40    43  -1.01400 -1.0 2.0
   60    63    66    67   0.31900  1.0 1.0
   60    63    66    67  -0.11800 -1.0 2.0
   60    63    66    67   0.38750  1.0 3.0
   63    40    43    44  -0.11600  1.0 1.0
   63    40    43    44  -0.09450 -1.0 2.0
   63    40    43    44   0.21250  1.0 3.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   64    63    40    43   0.23400  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.03700  1.0 1.0
   40    33   -38    42   0.37200 -1.0 2.0
   40    33   -38    42  -0.47300  1.0 3.0
   40    33    38    45   0.86500  1.0 1.0
   40    33    38    45  -0.17500 -1.0 2.0
   40    33    38    45   0.20800  1.0 3.0
   40    63    66    67  -0.11600  1.0 1.0
   40    63    66    67  -0.09450 -1.0 2.0
   40    63    66    67   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   66    63    40    33   0.86500  1.0 1.0
   66    63    40    33  -0.17500 -1.0 2.0
   66    63    40    33   0.20800  1.0 3.0
   66    63    40    41   0.23400  1.0 3.0
   66    63    40    43   3.75450  1.0 1.0
   45    38    42    47   0.14300 -1.0 2.0
   45    38    42    47   0.00300  1.0 3.0
   45    38    42    60   0.14300 -1.0 2.0
   45    38    42    60   0.00300  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
   37    30    35    36  10.50000 -1.0 2.0
   47    60    42    38   4.00000 -1.0 2.0
   48    49    47    42   4.00000 -1.0 2.0
   50    65    48    47   4.00000 -1.0 2.0
   54    51    50    48   1.10000 -1.0 2.0
   58    55    54    50   1.10000 -1.0 2.0
   61    59    58    54   1.10000 -1.0 2.0
   65    62    61    58   1.10000 -1.0 2.0
   61    68    65    48   4.00000 -1.0 2.0
   69    77    68    65   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    49    77    68   4.00000 -1.0 2.0
   77    52    49    47   4.00000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   56    63    60    42   4.00000 -1.0 2.0
END
