* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    235     429
    1     0 S   NP   _N1_     1    28.57539    95.39248   -22.17332
    2     1 S   H    _HN1     2     1.02960    81.71138    25.76848
    3     1 S   H    _H1_     3     1.02835    34.07672   163.81653
    4     1 S   H    _H2_     4     1.02776    95.49305   -82.01873
    5     1 S   CT   _CA1     5     1.50132   142.87431   138.73338
    6     5 S   HC   _HA1     6     1.09577   105.20920    73.84730
    7     5 S   CO3  _C1_     7     1.53770   112.40114   -46.30056
    8     7 S   O2Z  _O11     8     1.26358   114.98995   -43.11957
    9     7 S   O2Z  _O12     9     1.26238   114.91312   135.98516
   10     5 S   CT   _CB1    10     1.53090   107.41562  -168.28104
   11    10 S   HC   HB11    11     1.09826   109.25476   -50.98459
   12    10 S   HC   HB12    12     1.09817   110.43896    65.54072
   13    10 S   CT   _CG1    13     1.53016   112.71854  -172.10613
   14    13 S   HC   HG11    14     1.09597   110.44559   -65.11492
   15    13 S   HC   HG12    15     1.09657   109.96441    54.10975
   16    13 S   C    _CD1    16     1.51833   112.32289   174.39839
   17    16 S   O    _OE1    17     1.22722   123.26320    -1.03892
   18    16 S   N    _N2_    18     1.38640   111.65229   179.25401
   19    18 S   H    _HN2    19     1.01583   119.00642     1.02622
   20    18 S   CT1  _CA2    20     1.46164   123.37511   179.21916
   21    20 S   HC   _HA2    21     1.09738   109.43164    -5.11420
   22    20 S   C    _C2_    22     1.53511   108.60344  -120.72010
   23    22 S   O    _O2_    23     1.23050   122.14718  -146.43658
   24    20 S   CT   _CB2    32     1.53445   111.61514   116.95408
   25    24 S   HC   HB21    33     1.09499   109.58835    54.96244
   26    24 S   HC   HB22    34     1.09342   109.65141   173.63173
   27    22 S   N    _N3_    24     1.38467   113.54121    40.95812
   28    27 S   H    _HN3    25     1.01506   118.97787    -0.57811
   29    24 S   S    _SG2    35     1.82996   111.54379   -65.60867
   30    27 S   CT   _CA3    26     1.45449   123.44634   175.16037
   31    30 S   HC   HA31    27     1.09521   109.29882    23.96910
   32    30 S   HC   HA32    28     1.09499   107.12992   140.96487
   33    29 S   CT   _C21    36     1.87821   101.61609  -165.67436
   34    30 S   CO3  _C3_    29     1.52902   112.97005   -99.54344
   35    34 S   O2Z  _O31    30     1.26410   115.31765   -47.28908
   36    34 S   O2Z  _O32    31     1.26343   115.04096   133.60539
   37    33 S   CO4  _C17    37     1.54166   106.94475    62.61930
   38    37 S   O    _O22    38     1.23033   121.25350    44.93747
   39    33 S   CT   _C20    74     1.55494   109.63736   179.63792
   40    39 S   HC   _H36    75     1.09825   109.40849  -172.30043
   41    37 S   CA   _C10    39     1.49152   119.36100  -139.08789
   42    39 S   OH   _O25    76     1.43543   112.02583   -56.12883
   43    42 S   HO   _H44    77     0.97275   108.45144   -49.94445
   44    41 S   CA   _C9_    40     1.39742   119.93979   -10.97018
   45    44 S   CA   _C5_    41     1.40055   121.07885  -175.11970
   46    45 S   HA   _H30    42     1.08721   121.05021   179.83449
   47    44 S   CO4  _C16    53     1.47202   120.07277     6.06676
   48    47 S   O    _O21    54     1.22545   120.00577  -154.69730
   49    45 S   CA   _C4_    43     1.39242   119.88219    -0.83087
   50    49 S   HA   _H29    44     1.08632   120.07714   179.88297
   51    33 S   CT   _C18    55     1.54249   110.88618   -60.33768
   52    51 S   HC   _H34    56     1.09737   109.38928    52.83045
   53    49 S   CA   _C6_    45     1.39205   119.86121    -0.45413
   54    53 S   HA   _H31    46     1.08696   119.56491   179.88131
   55    51 S   CA   _C12    57     1.51844   113.42330   -68.18691
   56    41 S   CA   _C14    47     1.40448   121.69822   171.58263
   57    55 S   CA   _C11    58     1.40548   120.82394   -27.44610
   58    56 S   OS   _O27    48     1.37169   121.59957    -2.24516
   59    57 S   CA   _C7_    59     1.40850   119.30654  -179.83331
   60    59 S   HA   _H32    60     1.08913   119.23256  -178.22966
   61    57 S   CT   _C19    72     1.51192   122.09708     2.96181
   62    61 S   HC   _H35    73     1.09741   108.01389   116.84241
   63    58 S   CT   _C22    49     1.42878   110.26340   -98.41608
   64    63 S   HC   _H37    50     1.09403   107.79946   174.13756
   65    63 S   HC   _H38    51     1.09576   111.44524    55.75468
   66    63 S   HC   _H39    52     1.09521   111.01872   -67.69239
   67    59 S   CA   _C13    61     1.40012   121.52092     1.43122
   68    61 S   OH   _O24    78     1.43353   110.00756  -127.75735
   69    68 S   HO   _H43    79     0.97272   108.01746    42.59156
   70    67 S   CA   _C8_    62     1.39634   118.90382    -1.06918
   71    70 S   HA   _H33    63     1.08710   119.67938  -179.22924
   72    67 S   CT   _C23    67     1.50079   120.63452  -179.20156
   73    72 S   HC   _H40    68     1.09541   110.59529  -142.90726
   74    72 S   HC   _H41    69     1.09528   111.11575   -23.07403
   75    55 S   CA   _C15    64     1.40581   120.42915   153.93967
   76    72 S   OH   _O26    70     1.41904   108.97817    97.05086
   77    76 S   HO   _H45    71     0.97213   107.11807  -179.07465
   78    75 S   OH   _O23    65     1.37072   119.05176    -0.75433
   79    78 S   HO   _H42    66     0.97234   108.79420   179.46661
  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  12   5   4   3
  19   2   1   1  15   5  14   7  12   6   1  12   9   4   8   3
   5   3   8   3   4   2  12   5  11   4  12   4   5   2   3   2
   1   1   9   1   1   8   3   5   3   2   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    51    52    55    61    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    56    47    48    51    52    55    57    75    61    62    39    40    42    43    68  
   35    36  
   36  
    0  
   38    41    44    45    53    56    58    47    51    52    55    61    39    40    42  
   41    44    56    51    39  
   40    42    43    68    69    41    47    51    52    55    57    59    61    62  
   42    43    68    51    57    61    62  
   44    45    46    49    53    54    56    58    63    47    48    51  
   43    68    51    57    61    62  
   61  
   45    46    49    50    53    56    58    47    48    51    52    55  
   46    49    50    53    54    56    47    48    51  
   49    50    53    47  
   48    51    52    55    57    75    49    56  
   51    52    55  
   50    53    54    56    58  
   53    54    56  
   52    55    57    59    70    75    78    61  
   55    57    75  
   54    56    58    63  
   56    58  
   57    59    60    67    70    71    75    78    79    61    62    68  
   58    63    64    65    66  
   59    60    67    70    75    78    72    61    62    68    69  
   63    64    65    66  
   60    67    70    71    75    72    73    74    76    61    62    68  
   67    70    72    61  
   62    68    69    67    75  
   68    69  
   64    65    66  
   65    66  
   66  
    0  
   70    71    75    78    72    73    74    76    77  
   69  
    0  
   71    75    78    79    72    73    74    76  
   75    78    72  
   73    74    76    77    75  
   74    76    77  
   76    77  
   78    79  
   77  
    0  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.115000   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  -0.115000   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    56   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   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    54   367.000  1.080
   53    56   469.000  1.400
   56    58   450.000  1.364
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    55   317.000  1.510
   55    57   469.000  1.400
   55    75   469.000  1.400
   57    59   469.000  1.400
   57    61   317.000  1.510
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    70   469.000  1.400
   67    72   317.000  1.510
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    78   450.000  1.364
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   320.000  1.410
   76    77   553.000  0.945
   61    62   340.000  1.090
   61    39   268.000  1.529
   61    68   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   68    69   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    55    70.00000  112.17500
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    56    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  119.52600
   41    56    53    63.00000  120.00000
   41    56    58    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    51    65.00000  115.47100
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    58    70.00000  120.00000
   56    41    44    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    58    63    75.00000  111.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   47    44    45    60.00000  119.52600
   47    51    52    35.00000  109.50000
   47    51    55    70.00000  110.93000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   51    55    57    70.00000  120.00000
   51    55    75    70.00000  120.00000
   55    51    52    35.00000  109.50000
   55    57    59    63.00000  120.00000
   55    57    61    70.00000  120.00000
   55    75    70    63.00000  120.00000
   55    75    78    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    67    63.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    39    70.00000  112.17500
   57    61    68    90.00000  112.51600
   59    67    70    63.00000  120.00000
   59    67    72    70.00000  120.00000
   67    59    60    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    75    63.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    76    90.00000  112.51600
   70    75    78    70.00000  120.00000
   75    55    57    63.00000  120.00000
   75    70    71    35.00000  120.00000
   75    78    79    35.00000  113.00000
   72    67    70    70.00000  120.00000
   72    76    77    55.00000  108.50000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   61    57    59    70.00000  120.00000
   61    39    40    37.50000  110.70000
   61    39    42    50.00000  109.50000
   61    68    69    55.00000  108.50000
   39    33    37    63.00000  111.10000
   39    33    51    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   68    61    62    35.00000  109.50000
   68    61    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  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    37    41    44   2.26350  1.0 1.0
   33    37    41    44   0.76750 -1.0 2.0
   33    37    41    44   0.22500  1.0 3.0
   33    37    41    56   2.26350  1.0 1.0
   33    37    41    56   0.76750 -1.0 2.0
   33    37    41    56   0.22500  1.0 3.0
   33    51    55    57   0.04150 -1.0 2.0
   33    51    55    75   0.04150 -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
   37    33    51    47   0.11950  1.0 1.0
   37    33    51    47   0.20300 -1.0 2.0
   37    33    51    47  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    55   0.56750  1.0 1.0
   37    33    51    55  -0.07550 -1.0 2.0
   37    33    51    55   0.20000  1.0 3.0
   37    33    39    61  -0.95700  1.0 1.0
   37    33    39    61  -0.18200 -1.0 2.0
   37    33    39    61   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41   -44    47   3.62500 -1.0 2.0
   37    41    56    53   3.62500 -1.0 2.0
   37    41    56    58   3.62500 -1.0 2.0
   38    37    41    44   1.05000 -1.0 2.0
   38    37    41    56   1.05000 -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   1.05000 -1.0 2.0
   41    44    47    51   2.26350  1.0 1.0
   41    44    47    51   0.76750 -1.0 2.0
   41    44    47    51   0.22500  1.0 3.0
   41    56    58    63   1.63200 -1.0 2.0
   44    41    56    53   3.62500 -1.0 2.0
   44    41    56    58   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    33   0.05850 -1.0 2.0
   44    47   -51    33   0.17250  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.65300  1.0 1.0
   44    47    51    55  -0.03850 -1.0 2.0
   44    47    51    55   0.33900  1.0 3.0
   45    44    47    48   1.05000 -1.0 2.0
   45    44    47    51   2.26350  1.0 1.0
   45    44    47    51   0.76750 -1.0 2.0
   45    44    47    51   0.22500  1.0 3.0
   45    49    53    54   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   -56    41   3.62500 -1.0 2.0
   49    53    56    58   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56    58    63   1.63200 -1.0 2.0
   54    53    56    41   3.62500 -1.0 2.0
   54    53    56    58   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    58    63    64   0.08050  1.0 3.0
   56    58    63    65   0.08050  1.0 3.0
   56    58    63    66   0.08050  1.0 3.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    55    57   0.04300 -1.0 2.0
   47    51    55    75   0.04300 -1.0 2.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.30150 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    41   0.05850 -1.0 2.0
   51    33   -37    41   0.17250  1.0 3.0
   51    33    39    61   0.56750  1.0 1.0
   51    33    39    61  -0.07550 -1.0 2.0
   51    33    39    61   0.20000  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    42   0.86500  1.0 1.0
   51    33    39    42  -0.17500 -1.0 2.0
   51    33    39    42   0.20800  1.0 3.0
   51    55    57    59   3.62500 -1.0 2.0
   51    55   -57    61   3.62500 -1.0 2.0
   51    55    75    70   3.62500 -1.0 2.0
   51    55    75    78   3.62500 -1.0 2.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    75   0.00000  1.0 1.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    67   3.62500 -1.0 2.0
   55    57    61    62   0.00000  1.0 1.0
   55    57    61    39   0.04150 -1.0 2.0
   55    57    61    68   0.14300 -1.0 2.0
   55    57    61    68   0.00300  1.0 3.0
   55    75    78    79   0.84100 -1.0 2.0
   57    55    75    70   3.62500 -1.0 2.0
   57    55    75    78   3.62500 -1.0 2.0
   57    59   -67    70   3.62500 -1.0 2.0
   57    59    67    72   3.62500 -1.0 2.0
   57    61   -39    33  -0.03700  1.0 1.0
   57    61   -39    33   0.37200 -1.0 2.0
   57    61   -39    33  -0.47300  1.0 3.0
   57    61    39    40   0.43200  1.0 3.0
   57    61    39    42   1.13150  1.0 1.0
   57    61    39    42  -1.01400 -1.0 2.0
   57    61    68    69   0.31900  1.0 1.0
   57    61    68    69  -0.11800 -1.0 2.0
   57    61    68    69   0.38750  1.0 3.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    39   0.04150 -1.0 2.0
   59    57    61    68   0.14300 -1.0 2.0
   59    57    61    68   0.00300  1.0 3.0
   59    67    70    71   3.62500 -1.0 2.0
   59    67    70    75   3.62500 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    74   0.00000  1.0 1.0
   59    67    72    76   0.14300 -1.0 2.0
   59    67    72    76   0.00300  1.0 3.0
   60    59    67    70   3.62500 -1.0 2.0
   60    59    67    72   3.62500 -1.0 2.0
   67    70   -75    55   3.62500 -1.0 2.0
   67    70    75    78   3.62500 -1.0 2.0
   67    72    76    77   0.31900  1.0 1.0
   67    72    76    77  -0.11800 -1.0 2.0
   67    72    76    77   0.38750  1.0 3.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    67    72    76   0.14300 -1.0 2.0
   70    67    72    76   0.00300  1.0 3.0
   70    75    78    79   0.84100 -1.0 2.0
   71    70    75    55   3.62500 -1.0 2.0
   71    70    75    78   3.62500 -1.0 2.0
   75    55   -57    59   3.62500 -1.0 2.0
   75    55    57    61   3.62500 -1.0 2.0
   72    67    70    71   3.62500 -1.0 2.0
   72    67    70    75   3.62500 -1.0 2.0
   73    72    76    77   0.19450  1.0 3.0
   74    72    76    77   0.19450  1.0 3.0
   61    57    59    60   3.62500 -1.0 2.0
   61    57    59    67   3.62500 -1.0 2.0
   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    68    69   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    51    47  -0.95700  1.0 1.0
   39    33    51    47  -0.18200 -1.0 2.0
   39    33    51    47   0.29450  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33   -51    55  -0.03700  1.0 1.0
   39    33   -51    55   0.37200 -1.0 2.0
   39    33   -51    55  -0.47300  1.0 3.0
   39    61    68    69  -0.11600  1.0 1.0
   39    61    68    69  -0.09450 -1.0 2.0
   39    61    68    69   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   68    61    39    33   0.86500  1.0 1.0
   68    61    39    33  -0.17500 -1.0 2.0
   68    61    39    33   0.20800  1.0 3.0
   68    61    39    40   0.23400  1.0 3.0
   68    61    39    42   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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    56    41    37   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
   56    54    53    49   1.10000 -1.0 2.0
   53    58    56    41   4.00000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   57    75    55    51   4.00000 -1.0 2.0
   59    61    57    55   4.00000 -1.0 2.0
   67    60    59    57   1.10000 -1.0 2.0
   70    72    67    59   4.00000 -1.0 2.0
   75    71    70    67   1.10000 -1.0 2.0
   70    78    75    55   4.00000 -1.0 2.0
END
