* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.54516    95.11796   -22.13122
    2     1 S   H    _HN1     2     1.02779    95.83837   -85.60843
    3     1 S   H    _H1_     3     1.02959    84.55862    22.31316
    4     1 S   H    _H2_     4     1.02837    31.09549   159.02300
    5     1 S   CT   _CA1     5     1.50109   140.52437   138.10374
    6     5 S   HC   _HA1     6     1.09574   105.24336    70.51526
    7     5 S   CO3  _C1_     7     1.53785   112.40872   -49.72682
    8     7 S   O2Z  _O11     8     1.26357   115.00445   -43.84146
    9     7 S   O2Z  _O12     9     1.26239   114.91907   135.40426
   10     5 S   CT   _CB1    10     1.53102   107.44116  -171.55766
   11    10 S   HC   HB11    11     1.09824   109.33942   -50.89148
   12    10 S   HC   HB12    12     1.09819   110.41105    65.65752
   13    10 S   CT   _CG1    13     1.53013   112.67328  -171.99634
   14    13 S   HC   HG11    14     1.09595   110.45060   -63.69159
   15    13 S   HC   HG12    15     1.09653   109.97815    55.53177
   16    13 S   C    _CD1    16     1.51811   112.33288   175.89936
   17    16 S   O    _OE1    17     1.22717   123.27339    -1.92234
   18    16 S   N    _N2_    18     1.38642   111.63685   178.27376
   19    18 S   H    _HN2    19     1.01585   118.99863     1.53200
   20    18 S   CT1  _CA2    20     1.46135   123.35498   179.82983
   21    20 S   HC   _HA2    21     1.09750   109.43674    -6.02974
   22    20 S   C    _C2_    22     1.53412   108.35954  -121.56600
   23    22 S   O    _O2_    23     1.23023   122.22273  -143.99618
   24    20 S   CT   _CB2    32     1.53390   111.65399   115.96992
   25    24 S   HC   HB21    33     1.09518   110.07619    55.28967
   26    24 S   HC   HB22    34     1.09479   109.88147   174.18264
   27    22 S   N    _N3_    24     1.38495   113.41907    43.33363
   28    27 S   H    _HN3    25     1.01508   119.01406    -0.48457
   29    24 S   S    _SG2    35     1.82791   111.60656   -65.54868
   30    27 S   CT   _CA3    26     1.45444   123.32054   174.83123
   31    30 S   HC   HA31    27     1.09530   109.13105    26.96618
   32    30 S   HC   HA32    28     1.09492   107.16865   143.97475
   33    29 S   CT   _C23    36     1.85546   100.02474  -162.22202
   34    33 S   HC   _H3_    37     1.09019   111.69560    46.95577
   35    30 S   CO3  _C3_    29     1.52938   113.10338   -96.40867
   36    35 S   O2Z  _O31    30     1.26401   115.40136   -44.66870
   37    35 S   O2Z  _O32    31     1.26353   114.98461   136.21285
   38    33 S   CA   _C21    38     1.53641   108.70720   165.48236
   39    33 S   CT   _C25    70     1.54310   110.47577   -68.66399
   40    39 S   HC   _H40    71     1.09515   111.70359    53.98248
   41    38 S   CA   _C19    39     1.48642   122.26205   -80.12746
   42    39 S   OH   _O25    72     1.43452   109.34949   169.97552
   43    42 S   HO   _H43    73     0.97251   107.79313   -61.77625
   44    41 S   CA   _C15    40     1.42535   113.61466  -179.34002
   45    44 S   CA   _C9_    41     1.38722   122.12919   179.37630
   46    45 S   HA   _H32    42     1.09005   121.05218  -179.89532
   47    44 S   CA   _C12    61     1.39598   123.32351    -0.38866
   48    47 S   HA   _H35    62     1.08975   121.04317   179.70658
   49    45 S   CA   _C11    43     1.38283   121.64554    -0.05234
   50    49 S   HA   _H34    44     1.08601   115.54059  -179.89165
   51    47 S   CA   _C13    63     1.37818   121.49561     0.03956
   52    51 S   HA   _H36    64     1.08776   118.88532   179.14179
   53    49 S   CA   _C17    45     1.39634   122.34914     0.33102
   54    38 S   CA   _C20    65     1.43170   116.06796    99.45587
   55    53 S   CA   _C16    46     1.45315   119.70519   179.80317
   56    41 S   CA   _C18    60     1.50417   131.61957     0.45456
   57    54 S   CT   _C22    66     1.52075   124.71892     2.41703
   58    57 S   HC   _H37    67     1.09783   107.88461   113.09944
   59    55 S   CA   _C7_    47     1.42457   125.49207     0.52786
   60    59 S   HA   _H30    48     1.08654   121.28182     0.11869
   61    57 S   CT   _C24    68     1.52367   115.38239    -9.36863
   62    61 S   HC   _H39    69     1.09578   110.36222   -85.95053
   63    57 S   OH   _O23    76     1.43415   110.39407  -131.18326
   64    63 S   HO   _H41    77     0.97277   107.89593    46.06565
   65    59 S   CA   _C5_    49     1.39941   122.87051  -179.92867
   66    65 S   HA   _H28    50     1.08625   119.93123  -180.00000
   67    61 S   OH   _O24    74     1.43084   108.84458   158.16125
   68    67 S   HO   _H42    75     0.97216   107.63055  -178.90568
   69    65 S   CA   _C4_    51     1.38390   119.89489     0.00000
   70    69 S   HA   _H27    52     1.08552   120.44733   179.97202
   71    69 S   CA   _C6_    53     1.38929   119.20916    -0.01978
   72    71 S   HA   _H29    54     1.08864   118.49744   179.96044
   73    55 S   CA   _C14    55     1.40832   119.15890  -179.42870
   74    73 S   CA   _C8_    56     1.38255   118.91088    -0.02798
   75    74 S   HA   _H31    57     1.08898   120.83461   179.65395
   76    74 S   CA   _C10    58     1.39826   120.91176    -0.22468
   77    76 S   HA   _H33    59     1.07517   112.51011   179.42836
  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   9   5   4   3
  15   7   2   1   1  17  12   6  15   5   1  12   9   4   7   3
   7   3   6   2  10   8  12   6   7   5   8   4   5   3   2   1
   6   3   1   1   5   3   5   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    54    61    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    56    51    54    57    61    62    39    40    42    43    67  
   38    41    54    61    39    40    42  
   36    37  
   37  
    0  
   41    44    45    53    76    56    47    51    52    54    57    58    61    39    40    42    63  
   40    42    43    67    68    63    41    54    57    58    61    62  
   42    43    67    57    61    62  
   44    45    46    49    53    55    74    76    77    56    47    48    51    54    57  
   43    67    57    61    62  
   61  
   45    46    49    50    53    76    56    47    48    51    52    54  
   46    49    50    53    55    56    47    48    51  
   49    50    53    47  
   48    51    52    54    57    49    56  
   51    52    54  
   50    53    55    59    73    76    56  
   53    55    56  
   52    54    57    58    61    63  
   54    57  
   55    59    60    65    71    73    74    76    77    56  
   57    58    61    62    67    63    64    56  
   59    60    65    66    69    71    72    73    74    75    76    56  
   59    73    74    75    76    77  
   58    61    62    67    68    63    64  
   61    62    67    63    64  
   60    65    66    69    70    71    73    74  
   65    66    69    73  
   62    67    68    63    64  
   67    68    63  
   64    67  
    0  
   66    69    70    71    72    73  
   69    70    71  
   68  
    0  
   70    71    72    73    74  
   71    72    73  
   72    73    74    75    76  
   73    74  
   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    54   469.000  1.400
   41    44   469.000  1.400
   41    56   469.000  1.400
   44    45   469.000  1.400
   44    47   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    55   469.000  1.400
   53    56   469.000  1.400
   55    59   469.000  1.400
   55    73   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    66   367.000  1.080
   65    69   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   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    56   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   320.000  1.410
   61    62   340.000  1.090
   61    39   268.000  1.529
   61    67   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   67    68   553.000  0.945
   63    64   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    54    70.00000  120.00000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    44    63.00000  120.00000
   38    41    56    63.00000  120.00000
   38    54    51    63.00000  120.00000
   38    54    57    70.00000  120.00000
   41    44    45    63.00000  120.00000
   41    44    47    63.00000  120.00000
   41    56    53    63.00000  120.00000
   41    56    76    63.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    55    63.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    55    59    63.00000  120.00000
   53    55    73    63.00000  120.00000
   53    56    76    63.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    63.00000  120.00000
   55    73    71    63.00000  120.00000
   55    73    74    63.00000  120.00000
   59    65    66    35.00000  120.00000
   59    65    69    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    71    63.00000  120.00000
   69    65    66    35.00000  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    63.00000  120.00000
   73    55    59    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    56    63.00000  120.00000
   76    74    75    35.00000  120.00000
   56    41    44    63.00000  120.00000
   56    53    55    63.00000  120.00000
   56    76    77    35.00000  120.00000
   47    44    45    63.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    54    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    54    57    70.00000  120.00000
   54    38    41    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    61    70.00000  112.17500
   54    57    63    90.00000  112.51600
   57    61    62    37.50000  110.70000
   57    61    39    58.35000  112.70000
   57    61    67    50.00000  109.50000
   57    63    64    55.00000  108.50000
   61    57    58    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    42    50.00000  109.50000
   61    67    68    55.00000  108.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    61    62    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    39    50.00000  109.50000
   63    57    58    35.00000  109.50000
   63    57    61    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    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    54  -0.16000  1.0 1.0
   29    33    38    54  -0.03200 -1.0 2.0
   29    33    38    54   0.04500  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    56   3.62500 -1.0 2.0
   33    38    54    51   3.62500 -1.0 2.0
   33    38    54    57   3.62500 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    39    61   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   38    33    39    61  -0.03700  1.0 1.0
   38    33    39    61   0.37200 -1.0 2.0
   38    33    39    61  -0.47300  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    42   1.13150  1.0 1.0
   38    33    39    42  -1.01400 -1.0 2.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    47   3.62500 -1.0 2.0
   38    41    56    53   3.62500 -1.0 2.0
   38    41    56    76   3.62500 -1.0 2.0
   38    54    57    58   0.00000  1.0 1.0
   38    54   -57    61   0.04150 -1.0 2.0
   38    54    57    63   0.14300 -1.0 2.0
   38    54    57    63   0.00300  1.0 3.0
   41    38    54    51   3.62500 -1.0 2.0
   41    38    54    57   3.62500 -1.0 2.0
   41    44    45    46   3.62500 -1.0 2.0
   41    44    45    49   3.62500 -1.0 2.0
   41    44    47    48   3.62500 -1.0 2.0
   41    44   -47    51   3.62500 -1.0 2.0
   44    41    56    53   3.62500 -1.0 2.0
   44    41    56    76   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    45   -49    53   3.62500 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47    51    54   3.62500 -1.0 2.0
   45    44    47    48   3.62500 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   45    49    53    55   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53    55    59   3.62500 -1.0 2.0
   49    53    55    73   3.62500 -1.0 2.0
   49    53   -56    41   3.62500 -1.0 2.0
   49    53    56    76   3.62500 -1.0 2.0
   50    49    53    55   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55    59    65   3.62500 -1.0 2.0
   53    55    73    71   3.62500 -1.0 2.0
   53    55    73    74   3.62500 -1.0 2.0
   55    53    56    41   3.62500 -1.0 2.0
   55    53    56    76   3.62500 -1.0 2.0
   55    59    65    66   3.62500 -1.0 2.0
   55    59    65    69   3.62500 -1.0 2.0
   55    73    74    75   3.62500 -1.0 2.0
   55    73   -74    76   3.62500 -1.0 2.0
   59    55    73    71   3.62500 -1.0 2.0
   59    55    73    74   3.62500 -1.0 2.0
   59    65    69    70   3.62500 -1.0 2.0
   59    65   -69    71   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   60    59    65    69   3.62500 -1.0 2.0
   65    69    71    72   3.62500 -1.0 2.0
   65    69    71    73   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    71   -73    55   3.62500 -1.0 2.0
   69    71    73    74   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    74    75   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   72    71    73    55   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    55    59    60   3.62500 -1.0 2.0
   73    55   -59    65   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    56   3.62500 -1.0 2.0
   74    76    56    41   3.62500 -1.0 2.0
   74    76   -56    53   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    56   3.62500 -1.0 2.0
   77    76    56    41   3.62500 -1.0 2.0
   77    76    56    53   3.62500 -1.0 2.0
   56    41   -44    45   3.62500 -1.0 2.0
   56    41    44    47   3.62500 -1.0 2.0
   56    53    55    59   3.62500 -1.0 2.0
   56    53   -55    73   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51   -54    38   3.62500 -1.0 2.0
   47    51    54    57   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    54    57    58   0.00000  1.0 1.0
   51    54    57    61   0.04150 -1.0 2.0
   51    54    57    63   0.14300 -1.0 2.0
   51    54    57    63   0.00300  1.0 3.0
   52    51    54    38   3.62500 -1.0 2.0
   52    51    54    57   3.62500 -1.0 2.0
   54    38   -41    44   3.62500 -1.0 2.0
   54    38    41    56   3.62500 -1.0 2.0
   54    57    61    62   0.43200  1.0 3.0
   54    57    61    39  -0.03700  1.0 1.0
   54    57    61    39   0.37200 -1.0 2.0
   54    57    61    39  -0.47300  1.0 3.0
   54    57    61    67   1.13150  1.0 1.0
   54    57    61    67  -1.01400 -1.0 2.0
   54    57    63    64   0.31900  1.0 1.0
   54    57    63    64  -0.11800 -1.0 2.0
   54    57    63    64   0.38750  1.0 3.0
   57    61   -39    33   0.56750  1.0 1.0
   57    61   -39    33  -0.07550 -1.0 2.0
   57    61   -39    33   0.20000  1.0 3.0
   57    61    39    40   0.15000  1.0 3.0
   57    61    39    42   0.86500  1.0 1.0
   57    61    39    42  -0.17500 -1.0 2.0
   57    61    39    42   0.20800  1.0 3.0
   57    61    67    68  -0.11600  1.0 1.0
   57    61    67    68  -0.09450 -1.0 2.0
   57    61    67    68   0.21250  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    39   0.15000  1.0 3.0
   58    57    61    67   0.23400  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   61    57    63    64  -0.11600  1.0 1.0
   61    57    63    64  -0.09450 -1.0 2.0
   61    57    63    64   0.21250  1.0 3.0
   61    39    42    43  -0.11600  1.0 1.0
   61    39    42    43  -0.09450 -1.0 2.0
   61    39    42    43   0.21250  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    42   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33   -38    54   0.04150 -1.0 2.0
   39    61    67    68  -0.11600  1.0 1.0
   39    61    67    68  -0.09450 -1.0 2.0
   39    61    67    68   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   67    61    39    33   0.86500  1.0 1.0
   67    61    39    33  -0.17500 -1.0 2.0
   67    61    39    33   0.20800  1.0 3.0
   67    61    39    40   0.23400  1.0 3.0
   67    61    39    42   3.75450  1.0 1.0
   63    57    61    62   0.23400  1.0 3.0
   63    57    61    39   0.86500  1.0 1.0
   63    57    61    39  -0.17500 -1.0 2.0
   63    57    61    39   0.20800  1.0 3.0
   63    57    61    67   3.75450  1.0 1.0
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
   41    54    38    33   4.00000 -1.0 2.0
   44    56    41    38   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   55    56    53    49   4.00000 -1.0 2.0
   59    73    55    53   4.00000 -1.0 2.0
   65    60    59    55   1.10000 -1.0 2.0
   69    66    65    59   1.10000 -1.0 2.0
   71    70    69    65   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    55   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   56    77    76    74   1.10000 -1.0 2.0
   53    76    56    41   4.00000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   54    52    51    47   1.10000 -1.0 2.0
   51    57    54    38   4.00000 -1.0 2.0
END
