* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    230     436
    1     0 S   NP   _N1_     1    28.84796    94.72247   -20.64099
    2     1 S   H    _HN1     2     1.02820    30.00532   169.61049
    3     1 S   H    _H1_     3     1.02779    87.76810   -57.33580
    4     1 S   H    _H2_     4     1.02966    93.55989    50.84387
    5     1 S   CT   _CA1     5     1.50117   140.51153   179.50071
    6     5 S   HC   _HA1     6     1.09596   105.20037    53.65741
    7     5 S   CO3  _C1_     7     1.53703   112.28658   -66.25597
    8     7 S   O2Z  _O11     8     1.26315   115.01657   -48.55833
    9     7 S   O2Z  _O12     9     1.26238   114.76251   130.36348
   10     5 S   CT   _CB1    10     1.53064   107.36991   171.13592
   11    10 S   HC   HB11    11     1.09809   108.92656   -54.26263
   12    10 S   HC   HB12    12     1.09820   110.56725    62.08799
   13    10 S   CT   _CG1    13     1.53010   112.78398  -175.67790
   14    13 S   HC   HG11    14     1.09595   110.09701   -66.31575
   15    13 S   HC   HG12    15     1.09639   110.24556    52.78061
   16    13 S   C    _CD1    16     1.51853   112.22249   172.61018
   17    16 S   O    _OE1    17     1.22748   123.11969   -15.06673
   18    16 S   N    _N2_    18     1.38585   111.83174   166.31465
   19    18 S   H    _HN2    19     1.01578   119.01158    -0.49099
   20    18 S   CT1  _CA2    20     1.46267   123.42122   179.72589
   21    20 S   HC   _HA2    21     1.09737   109.30497   -17.21020
   22    20 S   C    _C2_    22     1.53445   108.04424  -132.78911
   23    22 S   O    _O2_    23     1.23005   122.32174  -145.19245
   24    20 S   CT   _CB2    32     1.53475   111.57964   105.11939
   25    24 S   HC   HB21    33     1.09456   109.57039    53.80332
   26    24 S   HC   HB22    34     1.09515   110.47785   172.48190
   27    22 S   N    _N3_    24     1.38530   113.29559    42.09068
   28    27 S   H    _HN3    25     1.01536   118.91159    -0.46055
   29    24 S   S    _SG2    35     1.82742   111.85270   -68.14040
   30    27 S   CT   _CA3    26     1.45448   123.43717   175.16426
   31    30 S   HC   HA31    27     1.09524   109.21715    24.67735
   32    30 S   HC   HA32    28     1.09495   107.12243   141.68572
   33    29 S   CT   _C17    36     1.82716    99.81816   170.36473
   34    33 S   HC   _H18    37     1.09450   109.01396    45.95436
   35    33 S   HC   _H19    38     1.09503   105.85873   162.08593
   36    30 S   CO3  _C3_    29     1.52931   113.14536   -98.78184
   37    36 S   O2Z  _O31    30     1.26401   115.42305   -43.68244
   38    36 S   O2Z  _O32    31     1.26357   114.96431   137.25216
   39    33 S   CT   _C16    39     1.52606   112.06708   -77.78480
   40    39 S   HC   _H7_    40     1.09610   111.11366    51.51765
   41    39 S   CT   _C15    41     1.52868   114.86030   175.09492
   42    41 S   HC   _H6_    42     1.09397   113.67512   -79.85020
   43    41 S   CT   _C14    43     1.51837   100.62518   159.22804
   44    43 S   HC   _H5_    44     1.09654   109.87527    78.75144
   45    41 S   OH   _O34    80     1.42457   111.47564    43.00478
   46    45 S   HO   _H20    81     0.97235   107.80490   -76.01635
   47    43 S   CO   _C13    45     1.52478   101.71728   -39.52779
   48    47 S   HC   _H4_    46     1.09684   111.64944   -89.16560
   49    43 S   OH   _O35    78     1.41515   113.51053  -159.81577
   50    49 S   HO   _H21    79     0.97240   107.57830   -51.39226
   51    47 S   N*   _N7_    47     1.45057   114.01374   148.78049
   52    39 S   OS   _O33    77     1.44605   109.92640   -66.67972
   53    51 S   CRAB _C12    48     1.37021   124.90025   109.14624
   54    53 S   HA   _H17    49     1.08185   122.54274     0.80600
   55    53 S   NNA  _N8_    50     1.31555   112.07099  -179.02321
   56    55 S   C56B _C9_    51     1.37625   105.01912     0.11703
   57    51 S   C56A _C10    52     1.36953   127.84247   -69.60592
   58    57 S   NB   _N5_    53     1.34226   128.06551    -0.59709
   59    58 S   CQ   _C11    54     1.34582   110.74102   179.44222
   60    59 S   HA   _H16    55     1.08466   115.84655   179.68659
   61    59 S   NB   _N6_    56     1.35208   128.63032    -0.44762
   62    56 S   CA   _C8_    57     1.40668   131.36016   179.37787
   63    62 S   NND  _N4_    58     1.38314   120.97897     0.37742
   64    63 S   H    _H15    59     1.01279   118.36010    -0.45542
   65    63 S   CT   _C7_    60     1.44674   120.85932   180.00000
   66    65 S   HC   _H13    61     1.09489   110.90701   -53.98383
   67    65 S   HC   _H14    62     1.09697   109.21632    63.79422
   68    65 S   CT   _C6_    63     1.53143   110.89822  -176.96210
   69    68 S   HC   _H11    64     1.09774   108.22276  -174.15313
   70    68 S   HC   _H12    65     1.09818   108.50644   -59.07978
   71    68 S   CT   _C5_    66     1.54333   115.43163    63.35023
   72    71 S   HC   _H3_    67     1.09729   109.50869   -59.59294
   73    71 S   CT   _C4_    68     1.53479   109.29695  -175.97007
   74    73 S   HC   _H8_    69     1.09535   111.17363   -64.10927
   75    73 S   HC   _H9_    70     1.09482   111.31228   175.34032
   76    73 S   HC   _H10    71     1.09535   110.75418    55.99690
   77    71 S   CT   _C18    72     1.53366   112.36582    60.72575
   78    77 S   HC   _H22    73     1.09264   111.09434   -61.21894
   79    77 S   HC   _H23    74     1.09515   111.02863    59.90122
   80    77 S   OH   _O36    75     1.42290   110.12655  -180.00000
   81    80 S   HO   _H24    76     0.97210   106.91395   179.02823
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1  11   5
   3   1   9   2   6   3   6   8   6   4   4   2   4   6   8   4
   9   5   4  12   5   4  10   8   7   3   2   1   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    57    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    56    57    58    52    49    50  
   51    53    57    52    49  
   50    51    52  
    0  
   53    54    55    56    57    58    59    62    52  
   53    57  
   54    55    56    57    58    62  
   55    56    57  
   56    57    58    61    62    63  
   57    58    59    61    62    63    64    65  
   58    59    60    61    62    63  
   59    60    61    62  
   60    61    62    63  
   61    62  
   62    63    64    65  
   63    64    65    66    67    68  
   64    65    66    67    68    69    70    71  
   65    66    67    68  
   66    67    68    69    70    71    72    73    77  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75    76    77    78    79    80  
   70    71    72    73    77  
   71    72    73    77  
   72    73    74    75    76    77    78    79    80    81  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.562500   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   440.000  1.371
   51    57   436.000  1.374
   53    54   367.000  1.080
   53    55   529.000  1.304
   55    56   414.000  1.391
   56    57   447.000  1.419
   56    62   469.000  1.404
   57    58   461.000  1.354
   58    59   502.000  1.324
   59    60   367.000  1.080
   59    61   502.000  1.324
   61    62   483.000  1.339
   62    63   481.000  1.340
   63    64   434.000  1.010
   63    65   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   553.000  0.945
   49    50   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    70.00000  128.80000
   47    51    57    70.00000  125.80000
   51    47    48    55.00000  103.44000
   51    53    54    35.00000  123.05000
   51    53    55    70.00000  113.90000
   51    57    56    70.00000  106.20000
   51    57    58    70.00000  126.20000
   53    55    56    70.00000  103.80000
   55    53    54    35.00000  123.05000
   55    56    57    70.00000  110.40000
   55    56    62    70.00000  132.40000
   56    57    58    70.00000  127.70000
   56    62    61    70.00000  117.30000
   56    62    63    70.00000  123.50000
   57    51    53    70.00000  105.40000
   57    58    59    70.00000  111.00000
   58    59    60    35.00000  115.45000
   58    59    61    70.00000  129.10000
   59    61    62    70.00000  118.60000
   61    59    60    35.00000  115.45000
   61    62    63    70.00000  119.30000
   62    56    57    85.00000  116.20000
   62    63    64    35.00000  120.00000
   62    63    65    50.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    80.00000  111.61500
   65    63    64    35.00000  112.50000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    58.35000  112.70000
   68    71    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    50.00000  109.50000
   73    71    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    58.35000  112.70000
   77    80    81    55.00000  108.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.64600  1.0 1.0
   41    43    47    51   0.58400 -1.0 2.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   1.10250  1.0 1.0
   43    47    51    53   0.01650 -1.0 2.0
   43    47    51    53   0.39100  1.0 3.0
   43    47    51    57   1.10250  1.0 1.0
   43    47    51    57   0.01650 -1.0 2.0
   43    47    51    57   0.39100  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    57    56   0.81400  1.0 1.0
   47    51    57    56   1.55550 -1.0 2.0
   47    51    57    58   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    57   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53   -55    56   3.62500 -1.0 2.0
   51    57    58    59   3.62500 -1.0 2.0
   53    51   -57    56   0.70250  1.0 1.0
   53    51   -57    56   1.56150 -1.0 2.0
   53    51    57    58   3.62500 -1.0 2.0
   53    55   -56    57   3.62500 -1.0 2.0
   53    55    56    62   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   55    56   -57    51   3.62500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56    62    61   3.62500 -1.0 2.0
   55    56    62    63   3.62500 -1.0 2.0
   56    57    58    59   3.62500 -1.0 2.0
   56    62    63    64   0.70000 -1.0 2.0
   56    62    63    65  -1.00000  1.0 1.0
   56    62    63    65   1.25000 -1.0 2.0
   57    51    53    54   3.62500 -1.0 2.0
   57    51   -53    55   3.62500 -1.0 2.0
   57    56    62    61   3.62500 -1.0 2.0
   57    56    62    63   3.62500 -1.0 2.0
   57    58    59    60   3.62500 -1.0 2.0
   57    58   -59    61   3.62500 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   59    61   -62    56   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   61    62    63    64   0.70000 -1.0 2.0
   61    62    63    65  -1.10000  1.0 1.0
   61    62    63    65   1.25000 -1.0 2.0
   62    56    57    51   3.00000 -1.0 2.0
   62    56   -57    58   3.62500 -1.0 2.0
   62    63    65    66   0.00000  1.0 1.0
   62    63    65    67   0.00000  1.0 1.0
   62    63    65    68  -0.12500  1.0 1.0
   62    63    65    68  -0.12500 -1.0 2.0
   62    63    65    68   0.25000  1.0 3.0
   63    65    68    69   0.22950  1.0 3.0
   63    65    68    70   0.22950  1.0 3.0
   63    65    68    71   1.26750  1.0 1.0
   63    65    68    71  -0.00950 -1.0 2.0
   63    65    68    71   0.30600  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.00000  1.0 1.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    73   0.56750  1.0 1.0
   65    68    71    73  -0.07550 -1.0 2.0
   65    68    71    73   0.20000  1.0 3.0
   65    68    71    77   0.56750  1.0 1.0
   65    68    71    77  -0.07550 -1.0 2.0
   65    68    71    77   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    73    75   0.15000  1.0 3.0
   68    71    73    76   0.15000  1.0 3.0
   68    71    77    78   0.15000  1.0 3.0
   68    71    77    79   0.15000  1.0 3.0
   68    71    77    80   0.86500  1.0 1.0
   68    71    77    80  -0.17500 -1.0 2.0
   68    71    77    80   0.20800  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    77   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    77   0.15000  1.0 3.0
   71    77    80    81  -0.11600  1.0 1.0
   71    77    80    81  -0.09450 -1.0 2.0
   71    77    80    81   0.21250  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    76   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.23400  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.86500  1.0 1.0
   73    71    77    80  -0.17500 -1.0 2.0
   73    71    77    80   0.20800  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53   0.10350  1.0 1.0
   52    47    51    53  -0.15350 -1.0 2.0
   52    47    51    57   0.10350  1.0 1.0
   52    47    51    57  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   53    57    51    47   4.00000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    62    56    55   4.00000 -1.0 2.0
   56    58    57    51   4.00000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   61    63    62    56   4.00000 -1.0 2.0
   64    62    63    65   1.00000 -1.0 2.0
END
