* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    161    250     475
    1     0 S   NP   _N1_     1    28.97915    92.03546   -21.18050
    2     1 S   H    _HN1     2     1.02840    23.16473   120.67111
    3     1 S   H    _H1_     3     1.02780    87.97700   -89.67166
    4     1 S   H    _H2_     4     1.02955   103.47575    18.68480
    5     1 S   CT   _CA1     5     1.50121   131.26496   152.14319
    6     5 S   HC   _HA1     6     1.09566   105.29239    46.62636
    7     5 S   CO3  _C1_     7     1.53833   112.20622   -73.75461
    8     7 S   O2Z  _O11     8     1.26373   115.01286   -46.49405
    9     7 S   O2Z  _O12     9     1.26224   114.89977   132.60388
   10     5 S   CT   _CB1    10     1.53061   107.42406   164.64371
   11    10 S   HC   HB11    11     1.09825   109.55069   -49.43171
   12    10 S   HC   HB12    12     1.09840   110.28317    67.11231
   13    10 S   CT   _CG1    13     1.53080   112.70467  -170.49101
   14    13 S   HC   HG11    14     1.09590   110.41510   -59.11996
   15    13 S   HC   HG12    15     1.09616   110.16612    60.21283
   16    13 S   C    _CD1    16     1.51779   111.95798  -179.37068
   17    16 S   O    _OE1    17     1.22767   123.10464    -7.43957
   18    16 S   N    _N2_    18     1.38696   111.88500   172.33868
   19    18 S   H    _HN2    19     1.01580   119.23510     2.77545
   20    18 S   CT1  _CA2    20     1.46241   122.97201  -175.27743
   21    20 S   HC   _HA2    21     1.09741   109.15250   -11.23384
   22    20 S   C    _C2_    22     1.53330   108.88688  -127.08416
   23    22 S   O    _O2_    23     1.23026   122.13294  -147.28131
   24    20 S   CT   _CB2    32     1.53756   111.78438   110.16870
   25    24 S   HC   HB21    33     1.09543   109.59892    61.97879
   26    24 S   HC   HB22    34     1.09420   109.64180  -179.22722
   27    22 S   N    _N3_    24     1.38475   113.43879    40.16197
   28    27 S   H    _HN3    25     1.01524   118.90531    -0.64498
   29    24 S   S    _SG2    35     1.82763   111.40582   -58.12412
   30    27 S   CT   _CA3    26     1.45443   123.41068   174.96242
   31    30 S   HC   HA31    27     1.09527   109.18158    25.47316
   32    30 S   HC   HA32    28     1.09494   107.13918   142.47936
   33    29 S   CT   _C19    36     1.86927   102.57393  -168.89759
   34    30 S   CO3  _C3_    29     1.52932   113.14541   -97.95536
   35    34 S   O2Z  _O31    30     1.26401   115.42308   -43.94276
   36    34 S   O2Z  _O32    31     1.26359   114.96887   136.98796
   37    33 S   CT   _C14    37     1.57732   111.53981  -169.81783
   38    37 S   HC   _H35    38     1.10046   106.90642   164.15840
   39    33 S   CT   _C22    83     1.53618   110.54618   -44.81572
   40    39 S   HC   _H46    84     1.09566   111.48498    73.01125
   41    39 S   HC   _H47    85     1.09423   112.53015   -48.14588
   42    39 S   HC   _H48    86     1.09605   111.35380  -168.27350
   43    37 S   CM   _C4_    39     1.53096   103.99003   -83.39664
   44    37 S   CT   _C16    52     1.53856   115.17114    44.07014
   45    44 S   HC   _H37    53     1.09778   109.96192   -65.75048
   46    43 S   CM   _C5_    40     1.35295   128.49092   171.46866
   47    43 S   CT   _C12    76     1.52023   108.83155   -12.76832
   48    47 S   HC   _H31    77     1.09556   109.50718   106.44424
   49    47 S   HC   _H32    78     1.09494   111.75205  -132.00360
   50    46 S   CT   _C13    41     1.51856   125.50000     3.61124
   51    50 S   HC   _H33    42     1.09802   108.19267    75.09561
   52    50 S   HC   _H34    43     1.09852   108.02002  -171.72270
   53    46 S   CT   _C23    71     1.51629   121.82078  -178.91357
   54    53 S   HC   _H49    72     1.09616   109.87300   129.01509
   55    53 S   HC   _H50    73     1.09270   113.72696     9.38797
   56    33 S   CT   _C17    79     1.54114   108.71637    78.75313
   57    56 S   HC   _H38    80     1.09453   113.61067   -44.91938
   58    50 S   CT   _C18    44     1.53315   118.67375   -50.75402
   59    58 S   HC   _H39    45     1.09798   107.65978  -171.30751
   60    53 S   OH   _O25    74     1.42138   109.18244  -111.70422
   61    60 S   HO   _H52    75     0.97222   107.00372  -177.68083
   62    56 S   OH   _O24    81     1.42898   110.71839  -165.14594
   63    62 S   HO   _H51    82     0.97254   107.53255  -177.54091
   64    58 S   CT   _C15    46     1.52744   111.78777    69.75093
   65    64 S   HC   _H36    47     1.09947   109.41374    49.79547
   66    58 S   OS   _O26    57     1.44344   109.96754   -52.35577
   67    64 S   CM   _C6_    48     1.49574   117.27125   170.95239
   68    66 S   CO4  _C11    58     1.35640   118.20431   -82.54907
   69    68 S   O    _O22    59     1.22072   126.96694    -0.86683
   70    67 S   CO4  _C7_    49     1.47937   107.39466   152.50221
   71    70 S   O    _O21    50     1.21680   127.39425   166.06768
   72    67 S   CM   _C8_    54     1.33548   131.05739   -25.62063
   73    72 S   HC   _H28    55     1.08414   121.50571    -1.20187
   74    72 S   HC   _H29    56     1.08552   121.48463   178.80613
   75    68 S   CM   _C10    60     1.48530   108.25300   179.43872
   76    70 S   OS   _O23    51     1.36432   106.42862   -12.19259
   77    75 S   CM   _C9_    61     1.34468   120.47422  -135.60745
   78    77 S   HC   _H30    62     1.08919   117.80086  -177.87514
   79    75 S   CT   _C21    67     1.50097   116.98786    46.28710
   80    79 S   HC   _H43    68     1.09501   110.71974   -70.77674
   81    79 S   HC   _H44    69     1.09514   110.43412    49.46326
   82    79 S   HC   _H45    70     1.09528   111.94764   169.12181
   83    77 S   CT   _C20    63     1.49581   128.18954     3.99091
   84    83 S   HC   _H40    64     1.09400   109.98678  -109.08265
   85    83 S   HC   _H41    65     1.09505   109.33401   132.38644
   86    83 S   HC   _H42    66     1.09250   113.50631    13.06861
  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  13   5   4   3
  19   2   1   1  23   9   9   3   2   1  19  15   6  16   8   4
   3  13   6   5   5   3   2   3   2  11   5   1   1   1   1  10
   5   6   6   9   3   5   2   3   1   1  10   1   9   5   4   2
   1   1   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    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    56    57    62    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    64    76    44    45    47    48    49    56    57    62    63    39    40    41    42  
   35    36  
   36  
    0  
   38    43    46    50    58    64    65    67    70    76    44    45    53    47    48    49    56    57    62    39    40    41    42  
   43    46    64    76    44    45    47    56    39  
   40    41    42    43    44    47    56    57    62  
   41    42    56  
   42    56  
   56  
   46    50    51    52    58    64    76    44    45    53    54    55    60    47    48    49    56    57    62  
   45    72    66    47    56    46    50    58    59    64    65    67    70    71    76  
   58    64    65    67    70    76  
   50    51    52    58    59    64    66    53    54    55    60    61    47    48    49    56  
   48    49    56    57    62    63    50    53  
   49    56    57    62  
   56    57    62  
   51    52    58    59    64    65    67    66    68    53    54    55    60  
   52    58    59    64    66    53  
   58    59    64    66    53  
   54    55    60    61    58  
   55    60    61  
   60    61  
   57    62    63  
   62    63  
   59    64    65    67    70    76    72    66    68    69    75  
   64    65    67    66    68  
   61  
    0  
   63  
    0  
   65    67    70    71    76    72    73    74    66    68  
   67    70    76    72    66  
   68    69    75    77    79    67  
   70    71    76    72    73    74  
   69    75    77    78    83    79    80    81    82  
   75    77    79  
   71    76    72    73    74  
   76    72  
   73    74    76  
   74  
    0  
   77    78    83    84    85    86    79    80    81    82  
    0  
   78    83    84    85    86    79    80    81    82  
   83    84    85    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    56   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.510
   37    44   268.000  1.529
   43    46   549.000  1.340
   43    47   317.000  1.510
   46    50   317.000  1.510
   46    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    66   320.000  1.410
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    44   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    76   214.000  1.327
   76    44   320.000  1.410
   44    45   340.000  1.090
   72    73   340.000  1.080
   72    74   340.000  1.080
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    75   320.000  1.462
   75    77   549.000  1.340
   75    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   320.000  1.410
   60    61   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    62   320.000  1.410
   62    63   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    56    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    70.00000  112.02700
   33    37    44    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    62    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    46    70.00000  124.00000
   37    43    47    65.00000  117.92700
   37    44    64    58.35000  112.70000
   37    44    76    50.00000  109.50000
   37    44    45    37.50000  110.70000
   43    37    38    35.00000  109.50000
   43    46    50    70.00000  124.00000
   43    46    53    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    56    70.00000  112.02700
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    58    70.00000  112.02700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    60    90.00000  110.39200
   50    58    59    37.50000  110.70000
   50    58    64    58.35000  112.70000
   50    58    66    50.00000  109.50000
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    67    70.00000  112.02700
   58    64    44    58.35000  112.70000
   58    66    68    83.00000  116.90000
   64    58    59    37.50000  110.70000
   64    67    70    65.00000  116.34900
   64    67    72    70.00000  124.00000
   64    44    76    50.00000  109.50000
   64    44    45    37.50000  110.70000
   67    64    65    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    76    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   70    76    44    83.00000  116.90000
   76    70    71    83.00000  123.40000
   76    44    45    35.00000  109.50000
   44    37    38    37.50000  110.70000
   44    37    43    70.00000  112.02700
   44    64    65    37.50000  110.70000
   44    64    67    70.00000  112.02700
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   66    58    59    35.00000  109.50000
   66    58    64    50.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    75    90.00000  111.29400
   68    75    77    65.00000  118.96000
   68    75    79    65.00000  116.34900
   75    68    69    80.00000  123.72100
   75    77    78    35.00000  120.00000
   75    77    83    70.00000  124.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    75    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   53    46    50    65.00000  117.92700
   53    60    61    55.00000  108.50000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   47    43    46    70.00000  124.00000
   47    56    57    37.50000  110.70000
   47    56    62    50.00000  109.50000
   49    47    48    33.00000  107.80000
   56    33    37    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    62    63    55.00000  108.50000
   62    56    57    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    56    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62   0.56750  1.0 1.0
   29    33    56    62  -0.07550 -1.0 2.0
   29    33    56    62   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    46   0.09850  1.0 1.0
   33    37    43    46   0.15250 -1.0 2.0
   33    37    43    46  -0.50650  1.0 3.0
   33    37   -43    47   0.46850  1.0 1.0
   33    37   -43    47   0.08550 -1.0 2.0
   33    37   -43    47   0.09800  1.0 3.0
   33    37    44    64   0.56750  1.0 1.0
   33    37    44    64  -0.07550 -1.0 2.0
   33    37    44    64   0.20000  1.0 3.0
   33    37    44    76   0.62750  1.0 1.0
   33    37    44    76  -0.30950 -1.0 2.0
   33    37    44    76   0.27300  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    56    62    63  -0.11600  1.0 1.0
   33    56    62    63  -0.09450 -1.0 2.0
   33    56    62    63   0.21250  1.0 3.0
   37    33   -56    47   0.56750  1.0 1.0
   37    33   -56    47  -0.07550 -1.0 2.0
   37    33   -56    47   0.20000  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    62   0.86500  1.0 1.0
   37    33    56    62  -0.17500 -1.0 2.0
   37    33    56    62   0.20800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    50   7.00000 -1.0 2.0
   37    43    46    53   7.00000 -1.0 2.0
   37    43    47    48   0.34800  1.0 3.0
   37    43    47    49   0.34800  1.0 3.0
   37    43   -47    56   0.46850  1.0 1.0
   37    43   -47    56   0.08550 -1.0 2.0
   37    43   -47    56   0.09800  1.0 3.0
   38    37    43    46   0.00000  1.0 1.0
   38    37    43    47   0.34800  1.0 3.0
   38    37    44    64   0.15000  1.0 3.0
   38    37    44    76   0.23400  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   43    37    44    64   0.34400  1.0 1.0
   43    37    44    64   0.09450 -1.0 2.0
   43    37    44    64   0.11100  1.0 3.0
   43    37    44    76   0.61850  1.0 1.0
   43    37    44    76  -0.22750 -1.0 2.0
   43    37    44    76   0.15300  1.0 3.0
   43    37    44    45   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    58   0.09850  1.0 1.0
   43    46    50    58   0.15250 -1.0 2.0
   43    46    50    58  -0.50650  1.0 3.0
   43    46    53    54   0.00000  1.0 1.0
   43    46    53    55   0.00000  1.0 1.0
   43    46    53    60   0.67800  1.0 1.0
   43    46    53    60   0.47050 -1.0 2.0
   43    46    53    60  -0.62500  1.0 3.0
   43    47   -56    33   0.34400  1.0 1.0
   43    47   -56    33   0.09450 -1.0 2.0
   43    47   -56    33   0.11100  1.0 3.0
   43    47    56    57   0.15000  1.0 3.0
   43    47    56    62   1.05650  1.0 1.0
   43    47    56    62   0.15600 -1.0 2.0
   43    47    56    62   0.53150  1.0 3.0
   46    43    47    48   0.00000  1.0 1.0
   46    43    47    49   0.00000  1.0 1.0
   46    43    47    56   0.09850  1.0 1.0
   46    43    47    56   0.15250 -1.0 2.0
   46    43    47    56  -0.50650  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    64   0.34400  1.0 1.0
   46    50    58    64   0.09450 -1.0 2.0
   46    50    58    64   0.11100  1.0 3.0
   46    50    58    66   0.61850  1.0 1.0
   46    50    58    66  -0.22750 -1.0 2.0
   46    50    58    66   0.15300  1.0 3.0
   46    53    60    61  -0.07800  1.0 1.0
   46    53    60    61  -0.21500 -1.0 2.0
   46    53    60    61  -0.03150  1.0 3.0
   50    46    53    54   0.34800  1.0 3.0
   50    46    53    55   0.34800  1.0 3.0
   50    46    53    60   0.18000  1.0 1.0
   50    46    53    60   0.16450 -1.0 2.0
   50    46    53    60   0.04450  1.0 3.0
   50    58    64    65   0.15000  1.0 3.0
   50    58    64    67   0.34400  1.0 1.0
   50    58    64    67   0.09450 -1.0 2.0
   50    58    64    67   0.11100  1.0 3.0
   50    58    64    44   0.56750  1.0 1.0
   50    58    64    44  -0.07550 -1.0 2.0
   50    58    64    44   0.20000  1.0 3.0
   50    58    66    68  -0.25900  1.0 1.0
   50    58    66    68  -0.47000 -1.0 2.0
   50    58    66    68   0.11750  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    64   0.15000  1.0 3.0
   51    50    58    66   0.23400  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    64   0.15000  1.0 3.0
   52    50    58    66   0.23400  1.0 3.0
   58    64    67    70   0.09700  1.0 1.0
   58    64    67    70   0.15600 -1.0 2.0
   58    64    67    70  -0.50800  1.0 3.0
   58    64    67    72   0.09850  1.0 1.0
   58    64    67    72   0.15250 -1.0 2.0
   58    64    67    72  -0.50650  1.0 3.0
   58    64    44    37   0.56750  1.0 1.0
   58    64    44    37  -0.07550 -1.0 2.0
   58    64    44    37   0.20000  1.0 3.0
   58    64    44    76   0.62750  1.0 1.0
   58    64    44    76  -0.30950 -1.0 2.0
   58    64    44    76   0.27300  1.0 3.0
   58    64    44    45   0.15000  1.0 3.0
   58    66    68    69   3.00000 -1.0 2.0
   58    66    68    75   2.00000 -1.0 2.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   59    58    64    44   0.15000  1.0 3.0
   59    58    66    68   0.08050  1.0 3.0
   64    58    66    68  -0.25900  1.0 1.0
   64    58    66    68  -0.47000 -1.0 2.0
   64    58    66    68   0.11750  1.0 3.0
   64    67    70    71  -0.64400  1.0 1.0
   64    67    70    71   0.26850 -1.0 2.0
   64    67   -70    76  -0.15000  1.0 1.0
   64    67   -70    76   0.89550 -1.0 2.0
   64    67   -70    76  -0.06900  1.0 3.0
   64    67    72    73   7.00000 -1.0 2.0
   64    67    72    74   7.00000 -1.0 2.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    72   0.00000  1.0 1.0
   65    64    44    37   0.15000  1.0 3.0
   65    64    44    76   0.23400  1.0 3.0
   65    64    44    45   0.15000  1.0 3.0
   67    64    44    37   0.34400  1.0 1.0
   67    64    44    37   0.09450 -1.0 2.0
   67    64    44    37   0.11100  1.0 3.0
   67    64   -44    76   0.61850  1.0 1.0
   67    64   -44    76  -0.22750 -1.0 2.0
   67    64   -44    76   0.15300  1.0 3.0
   67    64    44    45   0.15000  1.0 3.0
   67    70   -76    44   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   70    76    44    37  -0.25900  1.0 1.0
   70    76    44    37  -0.47000 -1.0 2.0
   70    76    44    37   0.11750  1.0 3.0
   70    76   -44    64  -0.25900  1.0 1.0
   70    76   -44    64  -0.47000 -1.0 2.0
   70    76   -44    64   0.11750  1.0 3.0
   70    76    44    45   0.08050  1.0 3.0
   71    70    76    44   3.00000 -1.0 2.0
   44    37    43    46   0.09850  1.0 1.0
   44    37    43    46   0.15250 -1.0 2.0
   44    37    43    46  -0.50650  1.0 3.0
   44    37    43    47   0.46850  1.0 1.0
   44    37    43    47   0.08550 -1.0 2.0
   44    37    43    47   0.09800  1.0 3.0
   44    64   -67    70   0.09700  1.0 1.0
   44    64   -67    70   0.15600 -1.0 2.0
   44    64   -67    70  -0.50800  1.0 3.0
   44    64    67    72   0.09850  1.0 1.0
   44    64    67    72   0.15250 -1.0 2.0
   44    64    67    72  -0.50650  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    76  -0.56150  1.0 1.0
   72    67    70    76   2.19150 -1.0 2.0
   66    58    64    65   0.23400  1.0 3.0
   66    58    64    67   0.61850  1.0 1.0
   66    58    64    67  -0.22750 -1.0 2.0
   66    58    64    67   0.15300  1.0 3.0
   66    58    64    44   0.62750  1.0 1.0
   66    58    64    44  -0.30950 -1.0 2.0
   66    58    64    44   0.27300  1.0 3.0
   66    68    75    77  -0.56150  1.0 1.0
   66    68    75    77   2.19150 -1.0 2.0
   66    68    75    79  -0.15000  1.0 1.0
   66    68    75    79   0.89550 -1.0 2.0
   66    68    75    79  -0.06900  1.0 3.0
   68    75    77    78   7.00000 -1.0 2.0
   68    75    77    83   7.00000 -1.0 2.0
   68    75    79    80   0.15000  1.0 3.0
   68    75    79    81   0.15000  1.0 3.0
   68    75    79    82   0.15000  1.0 3.0
   69    68    75    77   1.00000 -1.0 2.0
   69    68    75    79  -0.64400  1.0 1.0
   69    68    75    79   0.26850 -1.0 2.0
   75    77    83    84   0.00000  1.0 1.0
   75    77    83    85   0.00000  1.0 1.0
   75    77    83    86   0.00000  1.0 1.0
   77    75    79    80   0.00000  1.0 1.0
   77    75    79    81   0.00000  1.0 1.0
   77    75    79    82   0.00000  1.0 1.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.33100  1.0 3.0
   78    77    83    86   0.33100  1.0 3.0
   79    75    77    78   7.00000 -1.0 2.0
   79    75    77    83   7.00000 -1.0 2.0
   53    46    50    51   0.34800  1.0 3.0
   53    46    50    52   0.34800  1.0 3.0
   53    46    50    58   0.46850  1.0 1.0
   53    46    50    58   0.08550 -1.0 2.0
   53    46    50    58   0.09800  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   55    53    60    61   0.19450  1.0 3.0
   47    43    46    50   7.00000 -1.0 2.0
   47    43    46    53   7.00000 -1.0 2.0
   47    56    62    63  -0.11600  1.0 1.0
   47    56    62    63  -0.09450 -1.0 2.0
   47    56    62    63   0.21250  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    62   0.23400  1.0 3.0
   49    47    56    33   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    62   0.23400  1.0 3.0
   56    33    37    38   0.15000  1.0 3.0
   56    33   -37    43   0.34400  1.0 1.0
   56    33   -37    43   0.09450 -1.0 2.0
   56    33   -37    43   0.11100  1.0 3.0
   56    33    37    44   0.56750  1.0 1.0
   56    33    37    44  -0.07550 -1.0 2.0
   56    33    37    44   0.20000  1.0 3.0
   56    33    39    40   0.15000  1.0 3.0
   56    33    39    41   0.15000  1.0 3.0
   56    33    39    42   0.15000  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    56    47   0.56750  1.0 1.0
   39    33    56    47  -0.07550 -1.0 2.0
   39    33    56    47   0.20000  1.0 3.0
   39    33    56    57   0.15000  1.0 3.0
   39    33    56    62   0.86500  1.0 1.0
   39    33    56    62  -0.17500 -1.0 2.0
   39    33    56    62   0.20800  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
   37    47    43    46   1.10000 -1.0 2.0
   50    53    46    43   1.10000 -1.0 2.0
   64    70    67    72   1.10000 -1.0 2.0
   67    76    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   66    75    68    69  10.50000 -1.0 2.0
   68    79    75    77  15.00000 -1.0 2.0
   83    78    77    75  15.00000 -1.0 2.0
END
