* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    162    257     474
    1     0 S   NP   _N1_     1    29.86254    93.27541   -25.62912
    2     1 S   H    _HN1     2     1.02778   119.14532   -96.46669
    3     1 S   H    _H1_     3     1.02956    87.95894    13.45204
    4     1 S   H    _H2_     4     1.02834    19.47932  -155.00386
    5     1 S   CT   _CA1     5     1.50121   115.57302   125.13833
    6     5 S   HC   _HA1     6     1.09574   105.22629    79.73347
    7     5 S   CO3  _C1_     7     1.53791   112.36181   -40.47704
    8     7 S   O2Z  _O11     8     1.26363   114.99815   -43.88906
    9     7 S   O2Z  _O12     9     1.26238   114.91633   135.22574
   10     5 S   CT   _CB1    10     1.53084   107.43039  -162.34610
   11    10 S   HC   HB11    11     1.09825   109.34756   -50.45049
   12    10 S   HC   HB12    12     1.09825   110.41990    66.10989
   13    10 S   CT   _CG1    13     1.53017   112.67341  -171.54009
   14    13 S   HC   HG11    14     1.09595   110.42854   -63.49953
   15    13 S   HC   HG12    15     1.09646   110.02025    55.75780
   16    13 S   C    _CD1    16     1.51790   112.25258   176.09545
   17    16 S   O    _OE1    17     1.22744   123.21129    -2.97874
   18    16 S   N    _N2_    18     1.38661   111.67634   177.29412
   19    18 S   H    _HN2    19     1.01566   119.05750     2.33196
   20    18 S   CT1  _CA2    20     1.46105   123.41908  -178.78759
   21    20 S   HC   _HA2    21     1.09552   109.31044    -0.28939
   22    20 S   C    _C2_    22     1.53470   108.87346  -115.21923
   23    22 S   O    _O2_    23     1.23033   122.18769  -144.90335
   24    20 S   CT   _CB2    32     1.53415   111.66511   122.04835
   25    24 S   HC   HB21    33     1.09684   109.35464    64.22047
   26    24 S   HC   HB22    34     1.09498   110.88712  -179.22116
   27    22 S   N    _N3_    24     1.38497   113.49299    42.63927
   28    27 S   H    _HN3    25     1.01483   118.98949    -0.68870
   29    24 S   S    _SG2    35     1.83180   115.29809   -55.06187
   30    27 S   CT   _CA3    26     1.45440   123.45160   174.54501
   31    30 S   HC   HA31    27     1.09519   109.28582    24.02130
   32    30 S   HC   HA32    28     1.09495   107.12241   141.06009
   33    29 S   CT   _C16    36     1.86301   101.30168   -60.37019
   34    33 S   HC   _H5_    37     1.09612   103.69706    57.92341
   35    30 S   CO3  _C3_    29     1.52943   113.04782   -99.46330
   36    35 S   O2Z  _O31    30     1.26411   115.40423   -44.60800
   37    35 S   O2Z  _O32    31     1.26356   114.99157   136.35562
   38    33 S   CT   _C17    38     1.57553   114.93619   -59.50970
   39    38 S   OM   _O36    39     1.32472   110.51246   -50.55660
   40    38 S   HC   _H6_    40     1.10019   101.06447    74.92959
   41    38 S   CT   _C12    41     1.59397   112.72891  -173.02124
   42    41 S   CA   _C7_    42     1.56632   111.72123  -130.12343
   43    41 S   CT   _C21    57     1.56875   120.43584   105.52153
   44    43 S   HC   _H8_    58     1.09630   112.71840    84.70123
   45    41 S   CT   _C13    61     1.54230   109.33908   -10.01068
   46    45 S   HC   _H3_    62     1.09912   112.39866   -71.40718
   47    42 S   CA   _C8_    43     1.40270   121.23696   -35.49193
   48    47 S   HA   _H12    44     1.08461   122.04698    -0.06256
   49    43 S   OH   _O38    59     1.42461   113.81666   -37.30685
   50    49 S   HO   _H24    60     0.97616   106.23030    55.37785
   51    45 S   CT   _C14    63     1.53127   116.62824    54.90317
   52    51 S   HC   _H15    64     1.09668   112.17141    80.32166
   53    51 S   HC   _H16    65     1.09873   107.70813  -165.49311
   54    47 S   CA   _C9_    45     1.38033   118.57247   179.94766
   55    33 S   CT   _C15    66     1.54411   110.44186   170.38771
   56    55 S   HC   _H4_    67     1.09767   109.22252    67.04346
   57    54 S   CA   _C10    46     1.37870   122.67895     0.98158
   58    55 S   OS   _O37    68     1.43788   109.40561   -52.24127
   59    57 S   CA   _C5_    47     1.38407   121.25827     0.89547
   60    58 S   CT   _C18    69     1.42193   113.07942   158.95638
   61    60 S   HC   _H17    70     1.09334   108.19361   179.64502
   62    60 S   HC   _H18    71     1.09358   111.09429    60.66702
   63    60 S   HC   _H19    72     1.09416   110.37914   -61.81481
   64    57 S   OS   _O34    78     1.36287   111.03713   180.00000
   65    42 S   CA   _C6_    48     1.43214   120.00832   147.86941
   66    59 S   OS   _O33    73     1.36679   127.20103   179.05044
   67    64 S   CO   _C11    79     1.43831   102.00659     0.64589
   68    67 S   HC   _H13    80     1.09593   108.69034  -122.10998
   69    67 S   HC   _H14    81     1.09609   108.74638   119.74716
   70    65 S   CT   _C19    49     1.51513   119.23882     1.26424
   71    70 S   HC   _H20    50     1.09553   111.63854   129.65510
   72    70 S   HC   _H21    51     1.09602   110.28750  -108.98201
   73    66 S   CT   _C4_    74     1.42043   118.33332     4.31121
   74    73 S   HC   _H9_    75     1.09449   107.61687   177.07323
   75    73 S   HC   _H10    76     1.09466   111.32363    59.64240
   76    73 S   HC   _H11    77     1.09442   111.09584   -65.64598
   77    54 S   OS   _O35    82     1.36297   124.42914  -179.19254
   78    70 S   NP   _N4_    52     1.51388   112.83765     9.99666
   79    78 S   H    _H7_    53     1.02872   108.99028  -172.42197
   80    78 S   CT   _C20    54     1.52932   111.90077    65.29195
   81    80 S   HC   _H22    55     1.09453   106.94414   140.71808
   82    80 S   HC   _H23    56     1.09432   108.39058    22.45456
  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  10   5   4   3
  15   8   2   1   1  17   6   5  22  19  14   7  18   8   9   4
   5   1  10   5   4   9   7   2  10   4  13   3   2   1   1   6
   8   5   3   2   1   7   4   3   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    55    56    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    51    52    53    55    56    58    60  
   38    39    40    41    51    55    56    58  
   36    37  
   37  
    0  
   39    40    41    42    47    65    78    80    43    44    49    45    46    51    55    56    58  
   40    41    42    43    45    55  
   41    42    43    45    55  
   42    47    48    54    59    65    70    78    79    80    81    82    43    44    49    50    45    46    51    52    53    55  
   47    48    54    57    59    65    70    71    72    78    80    43    44    49    45    46    51    66    77  
   44    49    50    45    46    51    47    65    70    78    79    80    81    82  
   49    50    45    78    80    81    82  
   46    51    52    53    55    56    58    47    49    65    70    71    72    78    79    80    81    82  
   51    52    53    55    70    78    79    80  
   48    54    57    59    65    70    64    67    77  
   54    57    65    77  
   50    78    80    81    82  
   80  
   52    53    55    56    58    60    70    78    79    80  
   53    55    56    58    78  
   55    56    58    78  
   57    59    65    66    64    67    68    69    77  
   56    58    60    61    62    63    78  
   58    60  
   59    65    70    66    73    64    67    68    69    77  
   60    61    62    63  
   65    70    71    72    78    66    73    74    75    76    64    67    77  
   61    62    63  
   62    63  
   63  
    0  
   67    68    69    77    65    66  
   70    71    72    78    79    80    66    73  
   73    74    75    76    70  
   68    69    77  
   69    77  
   77  
   71    72    78    79    80    81    82  
   72    78    79    80  
   78    79    80  
   74    75    76  
   75    76  
   76  
    0  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   79   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    55   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    45   268.000  1.529
   42    47   469.000  1.400
   42    65   469.000  1.400
   47    48   367.000  1.080
   47    54   469.000  1.400
   54    57   469.000  1.400
   54    77   450.000  1.364
   57    59   469.000  1.400
   57    64   450.000  1.364
   59    65   469.000  1.400
   59    66   450.000  1.364
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   367.000  1.471
   78    79   434.000  1.010
   78    80   367.000  1.471
   78    45   367.000  1.471
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    43   268.000  1.529
   43    44   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
   45    46   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    58   320.000  1.410
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   66    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   320.000  1.380
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    55    51    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.17500
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    47    70.00000  120.00000
   41    42    65    70.00000  120.00000
   41    43    80    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    49    50.00000  109.50000
   41    45    78    80.00000  111.20000
   41    45    46    37.50000  110.70000
   41    45    51    58.35000  112.70000
   42    47    48    35.00000  120.00000
   42    47    54    63.00000  120.00000
   42    65    59    63.00000  120.00000
   42    65    70    70.00000  120.00000
   47    54    57    63.00000  120.00000
   47    54    77    70.00000  120.00000
   54    47    48    35.00000  120.00000
   54    57    59    63.00000  120.00000
   54    57    64    70.00000  120.00000
   54    77    67   100.00000  112.36700
   57    59    65    63.00000  120.00000
   57    59    66    70.00000  120.00000
   57    64    67   100.00000  112.36700
   59    65    70    70.00000  120.00000
   59    66    73    75.00000  111.00000
   65    42    47    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    78    75.00000  110.83300
   70    78    79    35.00000  109.50000
   70    78    80    75.00000  113.01200
   70    78    45    75.00000  113.01200
   72    70    71    33.00000  107.80000
   78    70    71    35.00000  109.50000
   78    70    72    35.00000  109.50000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    43    80.00000  111.20000
   78    45    46    35.00000  109.50000
   78    45    51    80.00000  111.20000
   80    78    79    35.00000  109.50000
   80    43    44    37.50000  110.70000
   80    43    49    50.00000  109.50000
   82    80    81    33.00000  107.80000
   43    41    42    70.00000  112.17500
   43    80    81    37.50000  110.70000
   43    80    82    37.50000  110.70000
   43    49    50    55.00000  108.50000
   49    43    44    35.00000  109.50000
   45    41    42    70.00000  112.17500
   45    41    43    58.35000  112.70000
   45    78    79    35.00000  109.50000
   45    78    80    75.00000  113.01200
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    55    58.35000  112.70000
   51    45    46    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    58    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    58    60    60.00000  109.50000
   58    55    56    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   66    59    65    70.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    57    59    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    77    92.60000  111.55000
   69    67    68    33.00000  109.50000
   77    54    57    70.00000  120.00000
   77    67    68    35.00000  109.50000
   77    67    69    35.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    55    51   0.44750  1.0 1.0
   29    33    55    51  -0.17800 -1.0 2.0
   29    33    55    51   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    41    42  -0.03700  1.0 1.0
   33    38    41    42   0.37200 -1.0 2.0
   33    38    41    42  -0.47300  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    55    58    60   0.06250  1.0 1.0
   33    55    58    60  -0.01100 -1.0 2.0
   33    55    58    60   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    55    51   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    51   0.56750  1.0 1.0
   38    33    55    51  -0.07550 -1.0 2.0
   38    33    55    51   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58   0.62750  1.0 1.0
   38    33    55    58  -0.30950 -1.0 2.0
   38    33    55    58   0.27300  1.0 3.0
   38    41    42    47   0.04150 -1.0 2.0
   38    41    42    65   0.04150 -1.0 2.0
   38    41    43    80   0.56750  1.0 1.0
   38    41    43    80  -0.07550 -1.0 2.0
   38    41    43    80   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    49   0.86500  1.0 1.0
   38    41    43    49  -0.17500 -1.0 2.0
   38    41    43    49   0.20800  1.0 3.0
   38    41    45    78   1.36600  1.0 1.0
   38    41    45    78  -0.11450 -1.0 2.0
   38    41    45    78   0.24250  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41   -45    51   0.56750  1.0 1.0
   38    41   -45    51  -0.07550 -1.0 2.0
   38    41   -45    51   0.20000  1.0 3.0
   39    38    41    42  -0.64350  1.0 1.0
   39    38    41    42  -0.04200 -1.0 2.0
   39    38    41    42   0.19800  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.43200  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    42    47    48   3.62500 -1.0 2.0
   41    42    47    54   3.62500 -1.0 2.0
   41    42    65    59   3.62500 -1.0 2.0
   41    42    65    70   3.62500 -1.0 2.0
   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
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    55   0.56750  1.0 1.0
   41    45    51    55  -0.07550 -1.0 2.0
   41    45    51    55   0.20000  1.0 3.0
   42    41    43    80  -0.03700  1.0 1.0
   42    41    43    80   0.37200 -1.0 2.0
   42    41    43    80  -0.47300  1.0 3.0
   42    41    43    44   0.43200  1.0 3.0
   42    41    43    49   1.13150  1.0 1.0
   42    41    43    49  -1.01400 -1.0 2.0
   42    41    45    78   1.24050  1.0 1.0
   42    41    45    78   0.48100 -1.0 2.0
   42    41    45    78   1.08150  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    51  -0.03700  1.0 1.0
   42    41    45    51   0.37200 -1.0 2.0
   42    41    45    51  -0.47300  1.0 3.0
   42    47    54    57   3.62500 -1.0 2.0
   42    47    54    77   3.62500 -1.0 2.0
   42    65    70    71   0.00000  1.0 1.0
   42    65    70    72   0.00000  1.0 1.0
   42    65   -70    78  -0.46400 -1.0 2.0
   47    42    65    59   3.62500 -1.0 2.0
   47    42    65    70   3.62500 -1.0 2.0
   47    54   -57    59   3.62500 -1.0 2.0
   47    54    57    64   3.62500 -1.0 2.0
   47    54    77    67   1.63200 -1.0 2.0
   48    47    54    57   3.62500 -1.0 2.0
   48    47    54    77   3.62500 -1.0 2.0
   54    57    59    65   3.62500 -1.0 2.0
   54    57    59    66   3.62500 -1.0 2.0
   54    57   -64    67   1.63200 -1.0 2.0
   57    54   -77    67   1.63200 -1.0 2.0
   57    59   -65    42   3.62500 -1.0 2.0
   57    59    65    70   3.62500 -1.0 2.0
   57    59    66    73   1.63200 -1.0 2.0
   57    64    67    68   0.08050  1.0 3.0
   57    64    67    69   0.08050  1.0 3.0
   57    64   -67    77  -0.25600  1.0 1.0
   57    64   -67    77  -0.40050 -1.0 2.0
   57    64   -67    77   0.34700  1.0 3.0
   59    57    64    67   1.63200 -1.0 2.0
   59    65    70    71   0.00000  1.0 1.0
   59    65    70    72   0.00000  1.0 1.0
   59    65    70    78  -0.46400 -1.0 2.0
   59    66    73    74   0.08050  1.0 3.0
   59    66    73    75   0.08050  1.0 3.0
   59    66    73    76   0.08050  1.0 3.0
   65    42    47    48   3.62500 -1.0 2.0
   65    42   -47    54   3.62500 -1.0 2.0
   65    59    66    73   1.63200 -1.0 2.0
   65    70    78    79   0.17350  1.0 3.0
   65    70    78    80   0.03550  1.0 1.0
   65    70    78    80   0.09800 -1.0 2.0
   65    70    78    45   0.03550  1.0 1.0
   65    70    78    45   0.09800 -1.0 2.0
   70    78    80    81   0.15000  1.0 3.0
   70    78    80    82   0.15000  1.0 3.0
   70    78    80    43   0.47100  1.0 1.0
   70    78   -45    41   0.47100  1.0 1.0
   70    78    45    46   0.15000  1.0 3.0
   70    78    45    51   0.47100  1.0 1.0
   71    70    78    79   0.13050  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    45   0.15000  1.0 3.0
   72    70    78    79   0.13050  1.0 3.0
   72    70    78    80   0.15000  1.0 3.0
   72    70    78    45   0.15000  1.0 3.0
   78    80   -43    41   1.36600  1.0 1.0
   78    80   -43    41  -0.11450 -1.0 2.0
   78    80   -43    41   0.24250  1.0 3.0
   78    80    43    44   0.19200  1.0 3.0
   78    80    43    49   1.69300  1.0 1.0
   78    80    43    49  -0.48450 -1.0 2.0
   78    45    51    52   0.19200  1.0 3.0
   78    45    51    53   0.19200  1.0 3.0
   78    45    51    55   1.36600  1.0 1.0
   78    45    51    55  -0.11450 -1.0 2.0
   78    45    51    55   0.24250  1.0 3.0
   79    78    80    81   0.13050  1.0 3.0
   79    78    80    82   0.13050  1.0 3.0
   79    78    80    43   0.17350  1.0 3.0
   79    78    45    41   0.17350  1.0 3.0
   79    78    45    46   0.13050  1.0 3.0
   79    78    45    51   0.17350  1.0 3.0
   80    78   -45    41   0.47100  1.0 1.0
   80    78    45    46   0.15000  1.0 3.0
   80    78    45    51   0.47100  1.0 1.0
   80    43    49    50  -0.11600  1.0 1.0
   80    43    49    50  -0.09450 -1.0 2.0
   80    43    49    50   0.21250  1.0 3.0
   81    80    43    41   0.15000  1.0 3.0
   81    80    43    44   0.15000  1.0 3.0
   81    80    43    49   0.23400  1.0 3.0
   82    80    43    41   0.15000  1.0 3.0
   82    80    43    44   0.15000  1.0 3.0
   82    80    43    49   0.23400  1.0 3.0
   43    41    42    47   0.04150 -1.0 2.0
   43    41    42    65   0.04150 -1.0 2.0
   43    41   -45    78   1.36600  1.0 1.0
   43    41   -45    78  -0.11450 -1.0 2.0
   43    41   -45    78   0.24250  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    51   0.56750  1.0 1.0
   43    41    45    51  -0.07550 -1.0 2.0
   43    41    45    51   0.20000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   45    41    42    47   0.04150 -1.0 2.0
   45    41   -42    65   0.04150 -1.0 2.0
   45    41   -43    80   0.56750  1.0 1.0
   45    41   -43    80  -0.07550 -1.0 2.0
   45    41   -43    80   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    49   0.86500  1.0 1.0
   45    41    43    49  -0.17500 -1.0 2.0
   45    41    43    49   0.20800  1.0 3.0
   45    78    80    81   0.15000  1.0 3.0
   45    78    80    82   0.15000  1.0 3.0
   45    78   -80    43   0.47100  1.0 1.0
   45    51   -55    33   0.56750  1.0 1.0
   45    51   -55    33  -0.07550 -1.0 2.0
   45    51   -55    33   0.20000  1.0 3.0
   45    51    55    56   0.15000  1.0 3.0
   45    51    55    58   0.62750  1.0 1.0
   45    51    55    58  -0.30950 -1.0 2.0
   45    51    55    58   0.27300  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    55   0.15000  1.0 3.0
   51    55    58    60   0.06250  1.0 1.0
   51    55    58    60  -0.01100 -1.0 2.0
   51    55    58    60   0.28050  1.0 3.0
   52    51    55    33   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.23400  1.0 3.0
   53    51    55    33   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    58   0.23400  1.0 3.0
   55    33    38    39   0.62750  1.0 1.0
   55    33    38    39  -0.30950 -1.0 2.0
   55    33    38    39   0.27300  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33   -38    41   0.56750  1.0 1.0
   55    33   -38    41  -0.07550 -1.0 2.0
   55    33   -38    41   0.20000  1.0 3.0
   55    58    60    61   0.37050  1.0 3.0
   55    58    60    62   0.37050  1.0 3.0
   55    58    60    63   0.37050  1.0 3.0
   56    55    58    60   0.37050  1.0 3.0
   66    59    65    42   3.62500 -1.0 2.0
   66    59    65    70   3.62500 -1.0 2.0
   64    57    59    65   3.62500 -1.0 2.0
   64    57    59    66   3.62500 -1.0 2.0
   64    67   -77    54  -0.25600  1.0 1.0
   64    67   -77    54  -0.40050 -1.0 2.0
   64    67   -77    54   0.34700  1.0 3.0
   68    67    77    54   0.08050  1.0 3.0
   69    67    77    54   0.08050  1.0 3.0
   77    54    57    59   3.62500 -1.0 2.0
   77    54   -57    64   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
   36    30    35    37  10.50000 -1.0 2.0
   47    65    42    41   4.00000 -1.0 2.0
   54    48    47    42   1.10000 -1.0 2.0
   57    77    54    47   4.00000 -1.0 2.0
   59    64    57    54   4.00000 -1.0 2.0
   65    66    59    57   4.00000 -1.0 2.0
   59    70    65    42   4.00000 -1.0 2.0
END
