* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    147    246     445
    1     0 S   NP   _N1_     1    28.89827    97.43131   -24.77045
    2     1 S   H    _HN1     2     1.02792   115.90495   -90.51399
    3     1 S   H    _H1_     3     1.02947    63.14749     7.94779
    4     1 S   H    _H2_     4     1.02824    44.30278   179.95154
    5     1 S   CT   _CA1     5     1.50145   130.86228   102.43299
    6     5 S   HC   _HA1     6     1.09574   105.13896   106.10198
    7     5 S   CO3  _C1_     7     1.53771   112.47454   -14.04844
    8     7 S   O2Z  _O11     8     1.26380   114.99818   -41.54590
    9     7 S   O2Z  _O12     9     1.26237   114.94905   137.38228
   10     5 S   CT   _CB1    10     1.53052   107.38154  -135.94878
   11    10 S   HC   HB11    11     1.09841   109.29503   -49.22376
   12    10 S   HC   HB12    12     1.09809   110.48221    67.36432
   13    10 S   CT   _CG1    13     1.53016   112.66678  -170.16319
   14    13 S   HC   HG11    14     1.09570   110.72324   -68.02484
   15    13 S   HC   HG12    15     1.09670   109.70264    51.22779
   16    13 S   C    _CD1    16     1.51819   111.98058   171.67638
   17    16 S   O    _OE1    17     1.22758   123.17823    12.44131
   18    16 S   N    _N2_    18     1.38621   111.82827  -167.46963
   19    18 S   H    _HN2    19     1.01570   119.02995     0.72793
   20    18 S   CT1  _CA2    20     1.46265   123.45529   176.88190
   21    20 S   HC   _HA2    21     1.09741   109.27193     8.72233
   22    20 S   C    _C2_    22     1.53712   108.90620  -106.84464
   23    22 S   O    _O2_    23     1.23091   122.25322  -148.94593
   24    20 S   CT   _CB2    32     1.53523   111.51965   130.76170
   25    24 S   HC   HB21    33     1.09447   109.31983    57.56520
   26    24 S   HC   HB22    34     1.09393   109.45719   176.47374
   27    22 S   N    _N3_    24     1.38324   113.92612    38.56493
   28    27 S   H    _HN3    25     1.01532   119.62701    -3.07422
   29    24 S   S    _SG2    35     1.82972   110.91623   -64.62847
   30    27 S   CT   _CA3    26     1.45272   123.25999   177.26326
   31    30 S   HC   HA31    27     1.09547   107.50350   -65.15897
   32    30 S   HC   HA32    28     1.09557   108.00505    51.29247
   33    29 S   CT   _C23    36     1.86959   103.56381   162.20890
   34    33 S   OM   _O39    37     1.32172   109.98135   -59.00510
   35    30 S   CO3  _C3_    29     1.52970   114.07019   173.32497
   36    35 S   O2Z  _O31    30     1.26381   116.10770     0.21214
   37    35 S   O2Z  _O32    31     1.26429   114.40482  -179.74056
   38    33 S   CT   _C6_    38     1.56697   108.42971  -177.55696
   39    38 S   HC   _H3_    39     1.10264   109.13864   177.85570
   40    33 S   CT   _C22    69     1.56880   113.88936    62.72005
   41    40 S   HC   _H5_    70     1.09990   108.87776  -177.84323
   42    38 S   CO4  _C7_    40     1.53353   110.22863   -68.66297
   43    42 S   O    _O34    41     1.23164   122.60896   129.48154
   44    40 S   OH   _O40    71     1.42835   112.13216   -62.01337
   45    44 S   HO   _H17    72     0.97403   105.88393   -48.26663
   46    38 S   CO4  _C5_    75     1.54188   115.36775    60.31631
   47    46 S   O    _O33    76     1.23142   123.00158   -79.21960
   48    42 S   CT   _C8_    42     1.53184   116.18857   -54.91998
   49    46 S   CT   _C4_    77     1.50961   116.73752   102.18612
   50    49 S   HC   _H6_    78     1.09287   109.45342    62.15496
   51    49 S   HC   _H7_    79     1.09161   110.35766   -59.27116
   52    49 S   HC   _H8_    80     1.09378   109.56662  -178.71382
   53    48 S   CO4  _C21    43     1.52668   111.87540   -74.36290
   54    53 S   O    _O35    44     1.22995   120.79266   -29.80316
   55    48 S   OH   _O41    73     1.42624   108.18351   170.73219
   56    55 S   HO   _H18    74     0.97401   107.64096    51.93012
   57    53 S   CA   _C20    45     1.49497   119.34324   152.32158
   58    57 S   CA   _C11    46     1.39813   118.96459    -1.34173
   59    57 S   CA   _C19    57     1.41189   121.68726   179.08507
   60    58 S   CA   _C12    47     1.40181   119.21451   179.13883
   61    60 S   HA   _H11    48     1.09033   118.57929  -178.89926
   62    59 S   OH   _O36    58     1.37539   120.81592     0.08847
   63    62 S   HO   _H14    59     0.97254   109.72068    -0.30901
   64    58 S   CT   _C10    64     1.50478   122.37071     1.64032
   65    64 S   HC   _H9_    65     1.09798   107.61645    93.21967
   66    64 S   HC   _H10    66     1.09648   110.27545  -151.27068
   67    60 S   CA   _C13    49     1.40217   121.99450     1.26408
   68    48 S   CT   _C9_    67     1.53034   110.08380    52.07525
   69    68 S   HC   _H4_    68     1.09891   109.23798    68.00664
   70    67 S   CA   _C14    50     1.40563   119.37741   179.51422
   71    70 S   HA   _H12    51     1.08841   119.99725     0.01978
   72    70 S   CA   _C15    52     1.39083   120.60269  -179.92867
   73    72 S   CA   _C16    53     1.38477   120.54278    -0.01978
   74    73 S   HA   _H13    54     1.08629   119.82792   180.00000
   75    72 S   OH   _O38    62     1.36582   121.18812   179.97202
   76    75 S   HO   _H16    63     0.97241   108.71387    -0.00000
   77    73 S   CA   _C17    55     1.39794   119.24576    -0.03426
   78    67 S   CA   _C18    56     1.41612   120.05516    -0.50435
   79    77 S   OH   _O37    60     1.37317   117.86330  -179.96044
   80    79 S   HO   _H15    61     0.97182   109.26489     0.04423
  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
  16   8   2   1   1  16   7  14   6  13   5   5   1   6   4  12
   3   2   1   1  12   5   5   1  13  12  10  11   4   4   1   5
   3   2   8   1   1   8   4   7   7   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    68    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    64    68    69    40    41    44    45    46    47    49  
   38    39    42    68    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    53    68    40    41    44    55    46    47    49    50    51    52  
   42    43    48    40    46    47    49  
   41    44    45    55    46    42    48    53    58    64    65    66    68    69  
   44    45    48    64    68    69  
   43    48    53    54    57    64    68    69    55    56    46    47    49  
   48    53    68    55    46  
   45    48    64    68    69  
   68  
   47    49    50    51    52    48  
   49    50    51    52  
   53    54    57    58    59    64    65    66    68    69    55    56  
   50    51    52  
   51    52  
   52  
    0  
   54    57    58    60    78    59    62    64    68    69    55    56  
   57    58    59    68    55  
   56    57    64    68    69  
   68  
   58    60    61    67    77    78    59    62    63    64    65    66    68  
   60    61    67    70    78    59    62    64    65    66    68    69  
   62    63    79    64    60    67    70    73    77    78  
   61    67    70    71    72    77    78    64    65    66    68  
   67    70    78    64  
   63    67    77    78  
   78  
   65    66    68    69    67  
   66    68    69  
   68    69  
   70    71    72    73    77    78    79    75  
   69  
    0  
   71    72    73    74    77    78    75    76  
   72    73    78    75  
   73    74    77    78    79    75    76  
   74    77    78    79    80    75    76  
   77    78    79    75  
   76    77  
    0  
   78    79    80  
   79    80  
   80  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   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    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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    53   317.000  1.522
   48    68   268.000  1.529
   48    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    59   469.000  1.400
   58    60   469.000  1.400
   58    64   317.000  1.510
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    70   469.000  1.400
   67    78   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    75   450.000  1.364
   73    74   367.000  1.080
   73    77   469.000  1.400
   77    78   469.000  1.400
   77    79   450.000  1.364
   78    59   469.000  1.400
   59    62   450.000  1.364
   62    63   553.000  0.945
   79    80   553.000  0.945
   75    76   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   55    56   553.000  0.945
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    68    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    49    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    48    53    75.00000  107.99600
   42    48    68    63.00000  111.10000
   42    48    55    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    53    54    80.00000  120.40000
   48    53    57    65.00000  115.47100
   48    68    64    58.35000  112.70000
   48    68    69    37.50000  110.70000
   48    68    40    58.35000  112.70000
   48    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    59    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    60    63.00000  120.00000
   57    58    64    70.00000  120.00000
   57    59    78    63.00000  120.00000
   57    59    62    70.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    67    63.00000  120.00000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    68    70.00000  112.17500
   60    67    70    63.00000  120.00000
   60    67    78    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    72    63.00000  120.00000
   67    78    77    63.00000  120.00000
   67    78    59    63.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    75    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    77    63.00000  120.00000
   72    75    76    35.00000  113.00000
   73    77    78    63.00000  120.00000
   73    77    79    70.00000  120.00000
   77    73    74    35.00000  120.00000
   77    78    59    63.00000  120.00000
   77    79    80    35.00000  113.00000
   78    67    70    63.00000  120.00000
   78    59    62    70.00000  120.00000
   59    57    58    63.00000  120.00000
   59    62    63    35.00000  113.00000
   79    77    78    70.00000  120.00000
   75    72    73    70.00000  120.00000
   64    58    60    70.00000  120.00000
   64    68    69    37.50000  110.70000
   64    68    40    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    48    53    63.00000  111.10000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    40    41    37.50000  110.70000
   68    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    68    69    37.50000  110.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   55    48    53    90.00000  109.61100
   55    48    68    50.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    75.00000  107.99600
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   49    46    47    80.00000  120.40000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    49   0.60050  1.0 1.0
   33    38    46    49   0.05600 -1.0 2.0
   33    38    46    49   0.26150  1.0 3.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    68   0.62750  1.0 1.0
   34    33    40    68  -0.30950 -1.0 2.0
   34    33    40    68   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   3.69350  1.0 1.0
   34    33    40    44  -1.82950 -1.0 2.0
   38    33    40    68   0.56750  1.0 1.0
   38    33    40    68  -0.07550 -1.0 2.0
   38    33    40    68   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.86500  1.0 1.0
   38    33    40    44  -0.17500 -1.0 2.0
   38    33    40    44   0.20800  1.0 3.0
   38    42    48    53   0.65300  1.0 1.0
   38    42    48    53  -0.03850 -1.0 2.0
   38    42    48    53   0.33900  1.0 3.0
   38    42   -48    68   0.60050  1.0 1.0
   38    42   -48    68   0.05600 -1.0 2.0
   38    42   -48    68   0.26150  1.0 3.0
   38    42    48    55   0.55300  1.0 1.0
   38    42    48    55   1.25850 -1.0 2.0
   38    42    48    55  -0.23600  1.0 3.0
   38    46    49    50   0.00000  1.0 1.0
   38    46    49    51   0.00000  1.0 1.0
   38    46    49    52   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    49   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    49   0.65300  1.0 1.0
   42    38    46    49  -0.03850 -1.0 2.0
   42    38    46    49   0.33900  1.0 3.0
   42    48    53    54   0.30150 -1.0 2.0
   42    48    53    57   0.65300  1.0 1.0
   42    48    53    57  -0.03850 -1.0 2.0
   42    48    53    57   0.33900  1.0 3.0
   42    48    68    64  -0.95700  1.0 1.0
   42    48    68    64  -0.18200 -1.0 2.0
   42    48    68    64   0.29450  1.0 3.0
   42    48    68    69  -0.11250  1.0 3.0
   42    48    68    40  -0.95700  1.0 1.0
   42    48    68    40  -0.18200 -1.0 2.0
   42    48    68    40   0.29450  1.0 3.0
   42    48    55    56   0.91850  1.0 1.0
   42    48    55    56   0.57950  1.0 3.0
   43    42    48    53   0.30150 -1.0 2.0
   43    42    48    68   0.30150 -1.0 2.0
   43    42    48    55   0.30150 -1.0 2.0
   48    53    57    58   2.26350  1.0 1.0
   48    53    57    58   0.76750 -1.0 2.0
   48    53    57    58   0.22500  1.0 3.0
   48    53    57    59   2.26350  1.0 1.0
   48    53    57    59   0.76750 -1.0 2.0
   48    53    57    59   0.22500  1.0 3.0
   48    68   -40    33   0.56750  1.0 1.0
   48    68   -40    33  -0.07550 -1.0 2.0
   48    68   -40    33   0.20000  1.0 3.0
   48    68    40    41   0.15000  1.0 3.0
   48    68    40    44   0.86500  1.0 1.0
   48    68    40    44  -0.17500 -1.0 2.0
   48    68    40    44   0.20800  1.0 3.0
   53    48    68    64  -0.95700  1.0 1.0
   53    48    68    64  -0.18200 -1.0 2.0
   53    48    68    64   0.29450  1.0 3.0
   53    48    68    69  -0.11250  1.0 3.0
   53    48    68    40  -0.95700  1.0 1.0
   53    48    68    40  -0.18200 -1.0 2.0
   53    48    68    40   0.29450  1.0 3.0
   53    48    55    56   0.91850  1.0 1.0
   53    48    55    56   0.57950  1.0 3.0
   53    57    58    60   3.62500 -1.0 2.0
   53    57   -58    64   3.62500 -1.0 2.0
   53    57    59    78   3.62500 -1.0 2.0
   53    57    59    62   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    59   1.05000 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    67   3.62500 -1.0 2.0
   57    58    64    65   0.00000  1.0 1.0
   57    58    64    66   0.00000  1.0 1.0
   57    58    64    68   0.04150 -1.0 2.0
   57    59    62    63   0.84100 -1.0 2.0
   58    57    59    78   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   58    60    67    70   3.62500 -1.0 2.0
   58    60   -67    78   3.62500 -1.0 2.0
   58    64   -68    48  -0.03700  1.0 1.0
   58    64   -68    48   0.37200 -1.0 2.0
   58    64   -68    48  -0.47300  1.0 3.0
   58    64    68    69   0.43200  1.0 3.0
   58    64    68    40  -0.03700  1.0 1.0
   58    64    68    40   0.37200 -1.0 2.0
   58    64    68    40  -0.47300  1.0 3.0
   60    58    64    65   0.00000  1.0 1.0
   60    58    64    66   0.00000  1.0 1.0
   60    58    64    68   0.04150 -1.0 2.0
   60    67    70    71   3.62500 -1.0 2.0
   60    67    70    72   3.62500 -1.0 2.0
   60    67    78    77   3.62500 -1.0 2.0
   60    67    78    59   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   61    60    67    78   3.62500 -1.0 2.0
   67    70    72    73   3.62500 -1.0 2.0
   67    70    72    75   3.62500 -1.0 2.0
   67    78   -59    57   3.62500 -1.0 2.0
   67    78    59    62   3.62500 -1.0 2.0
   70    67    78    77   3.62500 -1.0 2.0
   70    67    78    59   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72   -73    77   3.62500 -1.0 2.0
   70    72    75    76   0.84100 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    75   3.62500 -1.0 2.0
   72    73    77    78   3.62500 -1.0 2.0
   72    73    77    79   3.62500 -1.0 2.0
   73    72    75    76   0.84100 -1.0 2.0
   73    77   -78    67   3.62500 -1.0 2.0
   73    77    78    59   3.62500 -1.0 2.0
   73    77    79    80   0.84100 -1.0 2.0
   74    73    77    78   3.62500 -1.0 2.0
   74    73    77    79   3.62500 -1.0 2.0
   77    78    59    57   3.62500 -1.0 2.0
   77    78    59    62   3.62500 -1.0 2.0
   78    67    70    71   3.62500 -1.0 2.0
   78    67   -70    72   3.62500 -1.0 2.0
   78    77    79    80   0.84100 -1.0 2.0
   78    59    62    63   0.84100 -1.0 2.0
   59    57   -58    60   3.62500 -1.0 2.0
   59    57    58    64   3.62500 -1.0 2.0
   79    77    78    67   3.62500 -1.0 2.0
   79    77    78    59   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    77   3.62500 -1.0 2.0
   64    58    60    61   3.62500 -1.0 2.0
   64    58    60    67   3.62500 -1.0 2.0
   64    68    40    33   0.56750  1.0 1.0
   64    68    40    33  -0.07550 -1.0 2.0
   64    68    40    33   0.20000  1.0 3.0
   64    68    40    41   0.15000  1.0 3.0
   64    68    40    44   0.86500  1.0 1.0
   64    68    40    44  -0.17500 -1.0 2.0
   64    68    40    44   0.20800  1.0 3.0
   65    64    68    48   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    40   0.15000  1.0 3.0
   66    64    68    48   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    40   0.15000  1.0 3.0
   68    48    53    54   0.30150 -1.0 2.0
   68    48   -53    57   0.05850 -1.0 2.0
   68    48   -53    57   0.17250  1.0 3.0
   68    48    55    56  -0.11600  1.0 1.0
   68    48    55    56  -0.09450 -1.0 2.0
   68    48    55    56   0.21250  1.0 3.0
   68    40    44    45  -0.11600  1.0 1.0
   68    40    44    45  -0.09450 -1.0 2.0
   68    40    44    45   0.21250  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    41   0.15000  1.0 3.0
   69    68    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   55    48    53    54   0.30150 -1.0 2.0
   55    48    53    57   0.65300  1.0 1.0
   55    48    53    57  -0.03850 -1.0 2.0
   55    48    53    57   0.33900  1.0 3.0
   55    48    68    64   0.86500  1.0 1.0
   55    48    68    64  -0.17500 -1.0 2.0
   55    48    68    64   0.20800  1.0 3.0
   55    48    68    69   0.23400  1.0 3.0
   55    48    68    40   0.86500  1.0 1.0
   55    48    68    40  -0.17500 -1.0 2.0
   55    48    68    40   0.20800  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
   48    57    53    54  10.50000 -1.0 2.0
   58    59    57    53   4.00000 -1.0 2.0
   60    64    58    57   4.00000 -1.0 2.0
   67    61    60    58   1.10000 -1.0 2.0
   70    78    67    60   4.00000 -1.0 2.0
   72    71    70    67   1.10000 -1.0 2.0
   73    75    72    70   4.00000 -1.0 2.0
   77    74    73    72   1.10000 -1.0 2.0
   78    79    77    73   4.00000 -1.0 2.0
   77    59    78    67   4.00000 -1.0 2.0
   78    62    59    57   4.00000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
END
