* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    151    239     433
    1     0 S   NP   _N1_     1    31.55397   100.47884   -21.22776
    2     1 S   H    _HN1     2     1.02725    68.40366  -108.09053
    3     1 S   H    _H1_     3     1.02839    72.32159   133.98380
    4     1 S   H    _H2_     4     1.03469   175.41209  -134.56088
    5     1 S   CT   _CA1     5     1.50635    71.85537    14.96554
    6     5 S   HC   _HA1     6     1.09556   104.24907   122.64939
    7     5 S   CO3  _C1_     7     1.54383   111.91716     6.89373
    8     7 S   O2Z  _O11     8     1.26099   116.63702  -137.56560
    9     7 S   O2Z  _O12     9     1.26635   114.13904    42.05494
   10     5 S   CT   _CB1    10     1.53107   106.72938  -120.88562
   11    10 S   HC   HB11    11     1.09570   109.49714   -36.04674
   12    10 S   HC   HB12    12     1.09800   110.18806    79.35824
   13    10 S   CT   _CG1    13     1.53317   113.16252  -158.54609
   14    13 S   HC   HG11    14     1.09530   110.94969   -95.31724
   15    13 S   HC   HG12    15     1.09595   111.75478    24.17004
   16    13 S   C    _CD1    16     1.51515   109.65363   144.62197
   17    16 S   O    _OE1    17     1.22815   122.07537    97.34046
   18    16 S   N    _N2_    18     1.38429   112.47006   -79.91728
   19    18 S   H    _HN2    19     1.02065   119.10236    -5.25113
   20    18 S   CT1  _CA2    20     1.45837   123.19806   173.27206
   21    20 S   HC   _HA2    21     1.09674   108.60993    31.79314
   22    20 S   C    _C2_    22     1.53218   108.61006   -85.04869
   23    22 S   O    _O2_    23     1.23123   121.12923   151.09427
   24    20 S   CT   _CB2    32     1.53338   112.21527   155.24285
   25    24 S   HC   HB21    33     1.09347   109.98220    64.10994
   26    24 S   HC   HB22    34     1.09548   109.46632  -178.49676
   27    22 S   N    _N3_    24     1.38429   114.35354   -36.60486
   28    27 S   H    _HN3    25     1.01668   119.25822     2.30138
   29    24 S   S    _SG2    35     1.82978   111.31651   -58.89547
   30    27 S   CT   _CA3    26     1.45255   123.19971  -177.15538
   31    30 S   HC   HA31    27     1.09562   108.19840   -45.75705
   32    30 S   HC   HA32    28     1.09554   107.18327    70.53781
   33    29 S   CT   _C7_    36     1.88400   101.82406   151.05770
   34    30 S   CO3  _C3_    29     1.53017   114.57597  -167.97433
   35    34 S   O2Z  _O31    30     1.26384   116.43529     3.76931
   36    34 S   O2Z  _O32    31     1.26468   114.33008  -176.53479
   37    33 S   CM   _C12    37     1.54216   109.44627   -58.19129
   38    33 S   CT   _C6_    71     1.56632   103.59404  -177.42831
   39    38 S   HC   _H9_    72     1.09644   110.72514    51.59303
   40    38 S   HC   _H10    73     1.09782   110.08623   -65.45972
   41    37 S   N4   _N8_    38     1.36296   118.43892   138.97170
   42    37 S   CMA  _C13    68     1.53334   121.84364   -49.85850
   43    42 S   OM   _O34    69     1.26407   119.85822   114.00063
   44    42 S   OM   _O35    70     1.26187   121.78025   -67.14757
   45    38 S   S    _S1_    74     1.83245   115.73760   173.39797
   46    41 S   C4   _C11    39     1.35290   136.88428   160.18130
   47    46 S   O    _O33    40     1.20883   134.53621     1.68307
   48    41 S   C4T  _C9_    43     1.44909   125.96243   -27.63858
   49    48 S   HC   _H3_    44     1.09751   112.07602   -73.83788
   50    45 S   CRA  _C5_    75     1.72141   100.09774  -171.08502
   51    46 S   C4T  _C10    41     1.56322    89.57426  -173.95538
   52    51 S   HC   _H4_    42     1.09513   113.82597  -125.16265
   53    48 S   S    _S2_    45     1.80764   111.12437    54.65792
   54    50 S   N5B  _N5_    76     1.31350   126.68938   -75.73058
   55    33 S   CT   _C8_    46     1.56164   105.39908    67.36316
   56    55 S   HC   _H11    47     1.09472   111.77007   -44.64965
   57    55 S   HC   _H12    48     1.09627   111.00587    73.89056
   58    51 S   N    _N9_    49     1.47991   113.53612   105.19149
   59    58 S   H    _H13    50     1.01769   118.66795  -100.64972
   60    54 S   N5B  _N6_    77     1.37528   105.63435  -179.71538
   61    58 S   C    _C14    51     1.38622   123.01517    75.23513
   62    61 S   O    _O36    52     1.22886   124.62200     4.73590
   63    60 S   N5A  _N7_    78     1.32734   111.13123    -0.10279
   64    61 S   CT   _C15    53     1.52688   112.68952  -175.68475
   65    64 S   HC   _H5_    54     1.09668   107.30635   -52.31899
   66    50 S   NA   _N4_    79     1.36323   124.45731   104.55559
   67    64 S   CA   _C16    55     1.51333   112.50381    69.09035
   68    64 S   OH   _O37    66     1.42002   110.33939  -168.05321
   69    68 S   HO   _H19    67     0.97270   107.92247   -58.28294
   70    66 S   CT   _C4_    80     1.43694   131.19418    -1.80504
   71    70 S   HC   _H6_    81     1.09082   110.53261    19.26249
   72    70 S   HC   _H7_    82     1.09347   108.69530   138.87439
   73    70 S   HC   _H8_    83     1.09258   108.20844  -101.56922
   74    67 S   CA   _C17    56     1.40273   120.00101  -125.29996
   75    74 S   HA   _H14    57     1.08731   120.47297     0.03956
   76    74 S   CA   _C18    58     1.39627   120.61846   179.92598
   77    76 S   HA   _H15    59     1.08630   119.94797  -179.72732
   78    76 S   CA   _C19    60     1.39289   120.09514     0.21398
   79    78 S   HA   _H16    61     1.08610   120.04029  -179.92087
   80    78 S   CA   _C20    62     1.39305   119.89073    -0.11191
   81    80 S   HA   _H17    63     1.08631   119.99160  -179.77532
   82    67 S   CA   _C21    64     1.40344   121.30936    54.83243
   83    82 S   HA   _H18    65     1.08745   120.54898    -0.27411
  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
  16   2   1   1  17  12   4   3  12   5   1   1   7   9   4  10
   5   8   8   4   4   4   2   1   1   7   3   3   8   4   5  10
   5   4  11   3   1   3   2   1   1   8   4   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    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    55    56    57    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    53    55    56    57    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    51    48    49    53    55    56    57    42    43    44    38    39    40    45  
   39    40    45    50    54    66    41    42    53    55    56    57  
   40    45    50    55  
   45    50    55  
   46    47    51    52    48    49    53    55    58    42    43    44  
   43    44    46    48    55  
   44  
    0  
   50    54    60    63    66    70    55  
   47    51    52    48    49    53    58    59    61  
   51    52    48    58  
   49    53    55    56    57    58    59    61    51    52  
   53    55    58    51    52  
   54    60    63    66    70    71    72    73  
   52    53    55    58    59    61    62    64  
   53    58    59    61  
   55    56    57    58  
   60    63    66    70  
   56    57  
   57  
    0  
   59    61    62    64    65    67    68  
   61    62    64  
   63    66    70  
   62    64    65    67    74    82    68    69  
   64    65    67    68  
   66    70    71    72    73  
   65    67    74    75    76    80    82    83    68    69  
   67    74    82    68    69  
   70    71    72    73  
   74    75    76    77    78    80    81    82    83    68    69  
   69    74    82  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    82    83  
   76    77    78    82  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83  
   82    83  
   83  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   64   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   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    55   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    51   250.000  1.540
   51    52   340.000  1.090
   51    48   268.000  1.529
   51    58   337.000  1.449
   48    49   340.000  1.090
   48    53   200.000  1.824
   53    55   222.000  1.810
   55    56   340.000  1.090
   55    57   340.000  1.090
   58    59   434.000  1.010
   58    61   490.000  1.335
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    68   320.000  1.410
   67    74   469.000  1.400
   67    82   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
   80    82   469.000  1.400
   82    83   367.000  1.080
   68    69   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   222.000  1.810
   45    50   245.000  1.755
   50    54   488.000  1.335
   50    66   477.000  1.343
   54    60   290.000  1.379
   60    63   420.000  1.291
   63    66   400.000  1.349
   66    70   320.000  1.443
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    55    53    75.00000  111.63000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    51    95.00000   92.72400
   41    48    51   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    53    80.00000  108.62000
   46    51    52    40.00000  113.37500
   46    51    48   100.00000   86.36000
   46    51    58    75.00000  110.24000
   51    46    47    60.00000  136.58000
   51    48    49    37.50000  110.70000
   51    48    53    65.00000  119.05700
   51    58    59    38.00000  118.40000
   51    58    61    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    51    52    37.50000  110.70000
   48    53    55    85.00000   99.86700
   53    48    49    45.00000  109.41400
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   55    33    37    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    51    52    50.00000  112.01000
   58    51    48    80.00000  110.05700
   58    61    62    80.00000  122.90000
   58    61    64    70.00000  116.60000
   61    58    59    35.00000  119.80000
   61    64    65    35.00000  109.50000
   61    64    67    70.00000  109.44300
   61    64    68    95.00000  109.52300
   64    61    62    80.00000  120.40000
   64    67    74    70.00000  120.00000
   64    67    82    70.00000  120.00000
   64    68    69    55.00000  108.50000
   67    64    65    35.00000  109.50000
   67    74    75    35.00000  120.00000
   67    74    76    63.00000  120.00000
   67    82    80    63.00000  120.00000
   67    82    83    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
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   82    67    74    63.00000  120.00000
   82    80    81    35.00000  120.00000
   68    64    65    35.00000  109.50000
   68    64    67    90.00000  112.51600
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    55    58.35000  112.70000
   38    45    50    85.00000   97.05500
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    54    70.00000  126.12900
   45    50    66    70.00000  123.45500
   50    54    60   100.00000  108.10500
   50    66    63    95.00000  110.06400
   50    66    70    60.00000  127.66100
   54    60    63   100.00000  111.97400
   60    63    66   110.00000  106.81600
   63    66    70    75.00000  118.68000
   66    50    54    70.00000  120.00000
   66    70    71    50.00000  108.61900
   66    70    72    50.00000  108.61900
   66    70    73    50.00000  108.61900
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    55    53   0.56750  1.0 1.0
   29    33    55    53  -0.07550 -1.0 2.0
   29    33    55    53   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  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    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.35400  1.0 1.0
   33    38    45    50  -0.24450 -1.0 2.0
   33    38    45    50   0.44000  1.0 3.0
   37    33    55    53   0.56750  1.0 1.0
   37    33    55    53  -0.07550 -1.0 2.0
   37    33    55    53   0.20000  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    51   3.00000 -1.0 2.0
   37    41   -48    51   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    53   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    51    52   0.00000  1.0 1.0
   41    46   -51    48   3.00000 -1.0 2.0
   41    46    51    58   0.00000  1.0 1.0
   41    48    53    55   0.01700  1.0 1.0
   41    48    53    55  -0.23550 -1.0 2.0
   41    48    53    55   0.21350  1.0 3.0
   46    41   -48    51   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    53   0.00000  1.0 1.0
   46    51   -48    41   3.00000 -1.0 2.0
   46    51   -48    49   0.15000  1.0 3.0
   46    51   -48    53   0.00000  1.0 1.0
   46    51    58    59   0.00000  1.0 1.0
   46    51    58    61  -0.42300  1.0 1.0
   46    51    58    61  -0.07000 -1.0 2.0
   46    51    58    61   0.04150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    48  -0.11250  1.0 1.0
   47    46    51    48   0.11400 -1.0 2.0
   47    46    51    48  -0.28950  1.0 3.0
   47    46    51    58   0.30150 -1.0 2.0
   51    48    53    55   0.25150  1.0 1.0
   51    48    53    55  -1.17200 -1.0 2.0
   51    48    53    55   0.53050  1.0 3.0
   51    58    61    62   3.04450 -1.0 2.0
   51    58    61    64   1.49850  1.0 1.0
   51    58    61    64   1.53950 -1.0 2.0
   52    51   -48    41   0.15000  1.0 3.0
   52    51    48    49   0.15000  1.0 3.0
   52    51    48    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    61   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    51   3.00000 -1.0 2.0
   48    51    58    59   0.00000  1.0 1.0
   48    51    58    61  -0.43950  1.0 1.0
   48    51    58    61  -0.08100 -1.0 2.0
   48    51    58    61   0.03350  1.0 3.0
   48    53   -55    33  -0.25000 -1.0 2.0
   48    53   -55    33  -0.01800  1.0 3.0
   48    53    55    56   0.32350  1.0 3.0
   48    53    55    57   0.32350  1.0 3.0
   49    48    53    55   0.00000  1.0 1.0
   55    33   -37    41  -0.93550  1.0 1.0
   55    33   -37    41   0.38900 -1.0 2.0
   55    33   -37    41   0.16950  1.0 3.0
   55    33    37    42   0.09850  1.0 1.0
   55    33    37    42   0.15250 -1.0 2.0
   55    33    37    42  -0.50650  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33    38    45   0.44750  1.0 1.0
   55    33    38    45  -0.17800 -1.0 2.0
   55    33    38    45   0.20200  1.0 3.0
   58    51   -48    41   2.20050  1.0 1.0
   58    51   -48    41   0.63450 -1.0 2.0
   58    51   -48    41  -0.91300  1.0 3.0
   58    51    48    49   0.15000  1.0 3.0
   58    51    48    53   0.00000  1.0 1.0
   58    61    64    65   0.00000  1.0 1.0
   58    61    64    67   0.00000  1.0 1.0
   58    61    64    68   0.00000  1.0 1.0
   59    58    61    62   2.45000 -1.0 2.0
   59    58    61    64   2.45000 -1.0 2.0
   61    64    67    74   0.04300 -1.0 2.0
   61    64    67    82   0.04300 -1.0 2.0
   61    64    68    69   0.91850  1.0 1.0
   61    64    68    69   0.57950  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   0.30150 -1.0 2.0
   62    61    64    68   0.30150 -1.0 2.0
   64    67    74    75   3.62500 -1.0 2.0
   64    67    74    76   3.62500 -1.0 2.0
   64    67    82    80   3.62500 -1.0 2.0
   64    67    82    83   3.62500 -1.0 2.0
   65    64    67    74   0.00000  1.0 1.0
   65    64    67    82   0.00000  1.0 1.0
   65    64    68    69   0.19450  1.0 3.0
   67    64    68    69   0.31900  1.0 1.0
   67    64    68    69  -0.11800 -1.0 2.0
   67    64    68    69   0.38750  1.0 3.0
   67    74    76    77   3.62500 -1.0 2.0
   67    74    76    78   3.62500 -1.0 2.0
   74    67    82    80   3.62500 -1.0 2.0
   74    67    82    83   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    81   3.62500 -1.0 2.0
   76    78    80    82   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
   78    80   -82    67   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   81    80    82    67   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    67    74    75   3.62500 -1.0 2.0
   82    67   -74    76   3.62500 -1.0 2.0
   68    64    67    74   0.14300 -1.0 2.0
   68    64    67    74   0.00300  1.0 3.0
   68    64    67    82   0.14300 -1.0 2.0
   68    64    67    82   0.00300  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    55    53   0.44750  1.0 1.0
   38    33    55    53  -0.17800 -1.0 2.0
   38    33    55    53   0.20200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    45    50    54   0.63150 -1.0 2.0
   38    45    50    66   0.63150 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    54    60   3.62500 -1.0 2.0
   45    50    66    63   3.62500 -1.0 2.0
   45    50    66    70   3.62500 -1.0 2.0
   50    54   -60    63   3.62500 -1.0 2.0
   50    66    70    71   0.00000  1.0 1.0
   50    66    70    72   0.00000  1.0 1.0
   50    66    70    73   0.00000  1.0 1.0
   54    50   -66    63   3.62500 -1.0 2.0
   54    50    66    70   3.62500 -1.0 2.0
   54    60   -63    66   3.62500 -1.0 2.0
   60    63   -66    50   3.62500 -1.0 2.0
   60    63    66    70   3.62500 -1.0 2.0
   63    66    70    71   0.00000  1.0 1.0
   63    66    70    72   0.00000  1.0 1.0
   63    66    70    73   0.00000  1.0 1.0
   66    50   -54    60   3.62500 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   59    61    58    51   1.00000 -1.0 2.0
   58    64    61    62  10.50000 -1.0 2.0
   74    82    67    64   4.00000 -1.0 2.0
   76    75    74    67   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
   82    81    80    78   1.10000 -1.0 2.0
   80    83    82    67   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   54    66    50    45   4.00000 -1.0 2.0
   63    70    66    50   4.00000 -1.0 2.0
END
