* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    150    252     442
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034    97.61460   -54.89132
    3     1 S   H    _H1_     3     1.02056    81.62201    53.00583
    4     1 S   H    _H2_     4     1.02155    35.25216  -166.66581
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.85391    98.16935  -178.20060
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C15    37     1.53791   109.50925    59.94759
   38    33 S   CT   _C18    58     1.57577   105.38707   -64.72480
   39    38 S   HC   _H37    59     1.08581   109.56157    89.82532
   40    38 S   HC   _H38    60     1.08055   113.40073   -31.31091
   41    37 S   CA   _C11    38     1.39510   120.00286    61.32923
   42    41 S   HA   _H35    39     1.08770   120.44427    -0.07402
   43    38 S   C4T  _C21    61     1.53214   104.12858  -154.32718
   44    43 S   HC   _H41    62     1.07714   113.39508   -87.49555
   45    41 S   CA   _C9_    40     1.39394   120.02571   179.98022
   46    45 S   HA   _H33    41     1.08777   119.16679  -179.97202
   47    43 S   C4T  _C19    63     1.54764   123.41074   127.17241
   48    47 S   HC   _H39    64     1.09692   112.87197   151.46787
   49    43 S   N4   _N22    67     1.47374   101.03945    33.58594
   50    45 S   CA   _C14    42     1.39488   120.00031    -0.03426
   51    47 S   C4   _C16    65     1.54109    85.89922   -97.09279
   52    51 S   O    _O23    66     1.20953   135.85814   169.52206
   53    33 S   CT1  _C20    68     1.56001   110.18498  -172.97574
   54    53 S   HC   _H40    69     1.13008   111.57374    23.90383
   55    47 S   CT   _C24    74     1.50623   117.83979    20.19136
   56    55 S   HC   _H45    75     1.09936   110.12418   -59.60270
   57    50 S   CA   _C10    43     1.39530   120.01235     0.04846
   58    57 S   HA   _H34    44     1.08694   120.88534  -179.97202
   59    50 S   CA   _C13    47     1.44677   120.02105   179.98022
   60    53 S   C    _C17    70     1.49513   119.12885  -103.09574
   61    60 S   OC3  _O24    71     1.22158   124.99314   -81.28047
   62    55 S   CT   _C23    76     1.52607   112.42715   178.76077
   63    62 S   HC   _H42    77     1.09472   111.04644   -57.72458
   64    62 S   HC   _H43    78     1.09500   110.82461  -178.51589
   65    62 S   HC   _H44    79     1.09544   110.87674    63.15699
   66    55 S   OH   _O26    80     1.42885   109.77646    57.79911
   67    66 S   HO   _H47    81     0.96918   106.34724    60.02486
   68    37 S   CA   _C12    45     1.39458   120.02018  -118.66582
   69    68 S   HA   _H36    46     1.08744   120.51470    -0.04423
   70    59 S   CA   _C7_    48     1.39503   120.03396   -89.97089
   71    70 S   HA   _H31    49     1.08698   120.81274     0.05595
   72    60 S   OH   _O25    72     1.35499   110.68880    98.81532
   73    72 S   HO   _H46    73     0.98001   111.95577   179.88465
   74    70 S   CA   _C5_    50     1.39483   119.98808   179.94766
   75    74 S   HA   _H29    51     1.08653   119.96804  -179.93744
   76    74 S   CA   _C4_    52     1.39492   120.00663     0.06256
   77    76 S   HA   _H28    53     1.08580   120.00823  -179.90309
   78    76 S   CA   _C6_    54     1.39503   120.00526    -0.06256
   79    78 S   HA   _H30    55     1.08579   120.01481  -179.88809
   80    59 S   CA   _C8_    56     1.39492   119.96080    90.04553
   81    80 S   HA   _H32    57     1.08742   120.89677    -0.07662
  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
  20   2   1   1  17  14   6   5   9   4  13   6   8   3  13   7
   8  11   8   2   6   3   7   6   6   3  10   3   2   5   3   2
   1   1   1   1   1   8   4   1   1   6   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    68    38    39    40    43    49    53    54    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    57    68    69    38    39    40    43    44    47    51    49    53    54    60    61    72  
   35    36  
   36  
    0  
   41    42    45    46    50    57    58    68    69    38    39    40    43    49    53    54    60  
   39    40    43    44    47    48    51    49    53    54    60    55    41    68  
   40    43    44    47    49    53  
   43    44    47    49    53  
   42    45    46    50    57    68    69    59    53  
   45    46    50    68  
   44    47    48    51    52    49    53    54    60    55    56    62    66  
   47    48    51    49    53    55  
   46    50    57    58    68    59    70    80  
   50    57    59  
   48    51    52    49    53    55    56    62    63    64    65    66    67  
   51    52    49    55    56    62    66  
   53    54    60    61    72    55    51    52  
   57    58    68    69    59    70    71    74    78    80    81  
   52    53    54    60    55    56    62    66  
   53    55  
   54    60    61    72    73    68  
   60    61    72  
   56    62    63    64    65    66    67  
   62    63    64    65    66    67  
   58    68    69    59    70    80  
   68    69    59  
   70    71    74    75    76    78    79    80    81    68  
   61    72    73  
   72    73  
   63    64    65    66    67  
   64    65    66  
   65    66  
   66  
   67  
    0  
   69  
    0  
   71    74    75    76    77    78    80    81  
   74    75    76    80  
   73  
    0  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   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
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   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    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  1.510
   33    38   268.000  1.529
   33    53   268.000  1.529
   37    41   469.000  1.400
   37    68   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    57   469.000  1.400
   50    59   375.000  1.464
   57    58   367.000  1.080
   57    68   469.000  1.400
   68    69   367.000  1.080
   59    70   469.000  1.400
   59    80   469.000  1.400
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   260.000  1.519
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   305.000  1.456
   47    48   340.000  1.090
   47    51   250.000  1.540
   47    55   260.000  1.519
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    60   317.000  1.522
   60    61   570.000  1.229
   60    72   450.000  1.364
   72    73   553.000  0.945
   55    56   340.000  1.090
   55    62   268.000  1.529
   55    66   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  108.68000
   33    37    41    70.00000  120.00000
   33    37    68    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.98000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    60    63.00000  111.10000
   37    41    42    35.00000  120.00000
   37    41    45    63.00000  120.00000
   37    68    57    63.00000  120.00000
   37    68    69    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    50    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    57    63.00000  120.00000
   45    50    59    60.00000  122.76000
   50    45    46    35.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    68    63.00000  120.00000
   50    59    70    60.00000  122.76000
   50    59    80    60.00000  122.76000
   57    68    69    35.00000  120.00000
   68    37    41    63.00000  120.00000
   68    57    58    35.00000  120.00000
   59    50    57    60.00000  122.76000
   59    70    71    35.00000  120.00000
   59    70    74    63.00000  120.00000
   59    80    78    63.00000  120.00000
   59    80    81    35.00000  120.00000
   70    74    75    35.00000  120.00000
   70    74    76    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   80    59    70    63.00000  120.00000
   80    78    79    35.00000  120.00000
   38    33    37    70.00000  112.17500
   38    43    44    45.00000  112.72800
   38    43    47    65.00000  119.52000
   38    43    49    80.00000  110.05700
   40    38    39    33.00000  107.80000
   43    38    39    45.00000  111.22300
   43    38    40    45.00000  111.22300
   43    47    48    37.50000  110.70000
   43    47    51   100.00000   86.36000
   43    47    55    65.00000  119.52000
   43    49    51   100.00000   93.00000
   43    49    53    50.00000  132.70000
   47    43    44    37.50000  110.70000
   47    51    52    60.00000  136.58000
   47    51    49    95.00000   92.72400
   47    55    56    45.00000  111.22300
   47    55    62    70.00000  112.98000
   47    55    66    50.00000  109.50000
   51    47    48    40.00000  113.37500
   51    49    53    50.00000  132.10000
   49    43    44    50.00000  112.01000
   49    43    47   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    60    63.00000  110.10000
   53    33    37    63.00000  114.00000
   53    33    38    58.35000  112.70000
   53    60    61    75.00000  119.65400
   53    60    72    80.00000  116.87500
   60    53    54    35.00000  109.50000
   60    72    73    35.00000  113.00000
   72    60    61    80.00000  121.00000
   55    47    48    45.00000  112.72800
   55    47    51    63.00000  111.10000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   55    66    67    55.00000  108.50000
   62    55    56    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    55    56    35.00000  109.50000
   66    55    62    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    68  -0.16000  1.0 1.0
   29    33    37    68  -0.03200 -1.0 2.0
   29    33    37    68   0.04500  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    60  -2.17200  1.0 1.0
   29    33    53    60  -0.85700 -1.0 2.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    45   3.62500 -1.0 2.0
   33    37    68    57   3.62500 -1.0 2.0
   33    37    68    69   3.62500 -1.0 2.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.04050  1.0 1.0
   33    38    43    47   0.63700 -1.0 2.0
   33    38    43    47   0.17650  1.0 3.0
   33    38   -43    49   0.43900  1.0 1.0
   33    38   -43    49   0.49100 -1.0 2.0
   33    38   -43    49   0.28400  1.0 3.0
   33    53    60    61   0.27300 -1.0 2.0
   33    53    60    72   0.50000  1.0 1.0
   33    53    60    72   0.27300 -1.0 2.0
   33    53    60    72   0.22500  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    43  -0.03700  1.0 1.0
   37    33    38    43   0.37200 -1.0 2.0
   37    33    38    43  -0.47300  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.23100  1.0 3.0
   37    33    53    60  -0.84850  1.0 1.0
   37    33    53    60  -0.22800 -1.0 2.0
   37    33    53    60   0.29250  1.0 3.0
   37    41    45    46   3.62500 -1.0 2.0
   37    41    45    50   3.62500 -1.0 2.0
   41    37    68    57   3.62500 -1.0 2.0
   41    37    68    69   3.62500 -1.0 2.0
   41    45   -50    57   3.62500 -1.0 2.0
   41    45    50    59   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    68   3.62500 -1.0 2.0
   45    50    59    70  -0.19450  1.0 1.0
   45    50    59    70   0.63300 -1.0 2.0
   45    50    59    70   0.07450  1.0 3.0
   45    50    59    80  -0.19450  1.0 1.0
   45    50    59    80   0.63300 -1.0 2.0
   45    50    59    80   0.07450  1.0 3.0
   46    45    50    57   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    57   -68    37   3.62500 -1.0 2.0
   50    57    68    69   3.62500 -1.0 2.0
   50    59    70    71   3.62500 -1.0 2.0
   50    59    70    74   3.62500 -1.0 2.0
   50    59    80    78   3.62500 -1.0 2.0
   50    59    80    81   3.62500 -1.0 2.0
   57    50    59    70  -0.19450  1.0 1.0
   57    50    59    70   0.63300 -1.0 2.0
   57    50    59    70   0.07450  1.0 3.0
   57    50    59    80  -0.19450  1.0 1.0
   57    50    59    80   0.63300 -1.0 2.0
   57    50    59    80   0.07450  1.0 3.0
   58    57    68    37   3.62500 -1.0 2.0
   58    57    68    69   3.62500 -1.0 2.0
   68    37    41    42   3.62500 -1.0 2.0
   68    37   -41    45   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   59    50    57    68   3.62500 -1.0 2.0
   59    70    74    75   3.62500 -1.0 2.0
   59    70    74    76   3.62500 -1.0 2.0
   70    59    80    78   3.62500 -1.0 2.0
   70    59    80    81   3.62500 -1.0 2.0
   70    74    76    77   3.62500 -1.0 2.0
   70    74   -76    78   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   71    70    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    59   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    59   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    59    70    71   3.62500 -1.0 2.0
   80    59   -70    74   3.62500 -1.0 2.0
   38    33    37    41   0.04150 -1.0 2.0
   38    33    37    68   0.04150 -1.0 2.0
   38    33   -53    49   0.42250  1.0 1.0
   38    33   -53    49  -0.48100 -1.0 2.0
   38    33   -53    49   0.35650  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    60  -0.84850  1.0 1.0
   38    33    53    60  -0.22800 -1.0 2.0
   38    33    53    60   0.29250  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43    47    51  -0.95700  1.0 1.0
   38    43    47    51  -0.18200 -1.0 2.0
   38    43    47    51   0.29450  1.0 3.0
   38    43    47    55   0.56750  1.0 1.0
   38    43    47    55  -0.07550 -1.0 2.0
   38    43    47    55   0.20000  1.0 3.0
   38    43   -49    51   0.00000  1.0 1.0
   38    43   -49    53   0.00000  1.0 1.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.00000  1.0 1.0
   39    38    43    49   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.00000  1.0 1.0
   40    38    43    49   0.15000  1.0 3.0
   43    47    51    52  -0.11250  1.0 1.0
   43    47    51    52   0.11400 -1.0 2.0
   43    47    51    52  -0.28950  1.0 3.0
   43    47   -51    49   3.00000 -1.0 2.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    62   0.04050  1.0 1.0
   43    47    55    62   0.63700 -1.0 2.0
   43    47    55    62   0.17650  1.0 3.0
   43    47    55    66   0.86500  1.0 1.0
   43    47    55    66  -0.17500 -1.0 2.0
   43    47    55    66   0.20800  1.0 3.0
   43    49   -53    33   0.00000  1.0 1.0
   43    49    53    54   0.00000  1.0 1.0
   43    49    53    60   0.00000  1.0 1.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    55   0.15000  1.0 3.0
   44    43   -49    51   0.00000  1.0 1.0
   44    43    49    53   0.00000  1.0 1.0
   47    43   -49    51   0.00000  1.0 1.0
   47    43    49    53   0.00000  1.0 1.0
   47    51   -49    43   3.00000 -1.0 2.0
   47    51   -49    53   3.00000 -1.0 2.0
   47    55    62    63   0.15000  1.0 3.0
   47    55    62    64   0.15000  1.0 3.0
   47    55    62    65   0.15000  1.0 3.0
   47    55    66    67  -0.11600  1.0 1.0
   47    55    66    67  -0.09450 -1.0 2.0
   47    55    66    67   0.21250  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49   0.00000  1.0 1.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    62   0.15000  1.0 3.0
   48    47    55    66   0.23400  1.0 3.0
   51    47    55    56  -0.11250  1.0 3.0
   51    47    55    62  -0.95700  1.0 1.0
   51    47    55    62  -0.18200 -1.0 2.0
   51    47    55    62   0.29450  1.0 3.0
   51    47    55    66  -0.09450  1.0 1.0
   51    47    55    66  -1.12950 -1.0 2.0
   51    47    55    66   0.54000  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    60   0.00000  1.0 1.0
   52    51   -49    43   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    43   -47    48   0.15000  1.0 3.0
   49    43   -47    51   3.00000 -1.0 2.0
   49    43    47    55   0.43900  1.0 1.0
   49    43    47    55   0.49100 -1.0 2.0
   49    43    47    55   0.28400  1.0 3.0
   49    53    60    61   0.00000  1.0 1.0
   49    53    60    72   0.40000  1.0 3.0
   53    33    37    41   0.00000  1.0 1.0
   53    33    37    68   0.00000  1.0 1.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    43   0.31550 -1.0 2.0
   53    33   -38    43   0.11250  1.0 3.0
   53    60    72    73   1.50000  1.0 1.0
   53    60    72    73   2.45000 -1.0 2.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    72   0.00000  1.0 1.0
   61    60    72    73   2.45000 -1.0 2.0
   55    47    51    52   0.30150 -1.0 2.0
   55    47   -51    49   1.39750  1.0 1.0
   55    47   -51    49  -0.07950 -1.0 2.0
   55    47   -51    49  -0.18750  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   56    55    66    67   0.19450  1.0 3.0
   62    55    66    67  -0.11600  1.0 1.0
   62    55    66    67  -0.09450 -1.0 2.0
   62    55    66    67   0.21250  1.0 3.0
   66    55    62    63   0.23400  1.0 3.0
   66    55    62    64   0.23400  1.0 3.0
   66    55    62    65   0.23400  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
   36    30    34    35  10.50000 -1.0 2.0
   41    68    37    33   4.00000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   50    46    45    41   1.10000 -1.0 2.0
   57    59    50    45   4.00000 -1.0 2.0
   68    58    57    50   1.10000 -1.0 2.0
   57    69    68    37   1.10000 -1.0 2.0
   70    80    59    50   4.00000 -1.0 2.0
   74    71    70    59   1.10000 -1.0 2.0
   76    75    74    70   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    59   1.10000 -1.0 2.0
   47    49    51    52  10.50000 -1.0 2.0
   53    51    49    43   1.00000 -1.0 2.0
   53    72    60    61  10.50000 -1.0 2.0
END
