* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    235     429
    1     0 S   NP   _N1_     1    28.66345    96.26197   -21.99770
    2     1 S   H    _HN1     2     1.02953    75.73544    15.29923
    3     1 S   H    _H1_     3     1.02828    39.45354   157.09574
    4     1 S   H    _H2_     4     1.02787    96.17697   -92.12350
    5     1 S   CT   _CA1     5     1.50118   146.00788   120.74072
    6     5 S   HC   _HA1     6     1.09573   105.20441    82.99210
    7     5 S   CO3  _C1_     7     1.53804   112.43645   -37.26604
    8     7 S   O2Z  _O11     8     1.26378   115.00780   -42.72321
    9     7 S   O2Z  _O12     9     1.26238   114.95065   136.39950
   10     5 S   CT   _CB1    10     1.53077   107.41417  -159.00606
   11    10 S   HC   HB11    11     1.09833   109.41803   -49.46440
   12    10 S   HC   HB12    12     1.09815   110.42193    67.15295
   13    10 S   CT   _CG1    13     1.52985   112.60141  -170.43544
   14    13 S   HC   HG11    14     1.09585   110.61520   -64.79053
   15    13 S   HC   HG12    15     1.09667   109.81979    54.44968
   16    13 S   C    _CD1    16     1.51795   112.22671   174.92433
   17    16 S   O    _OE1    17     1.22732   123.29587     5.76664
   18    16 S   N    _N2_    18     1.38646   111.66042  -174.38403
   19    18 S   H    _HN2    19     1.01587   118.95835     2.00594
   20    18 S   CT1  _CA2    20     1.46207   123.38845   178.37418
   21    20 S   HC   _HA2    21     1.09741   109.37173     2.43783
   22    20 S   C    _C2_    22     1.53533   108.72944  -113.10556
   23    22 S   O    _O2_    23     1.23063   122.26814  -148.41057
   24    20 S   CT   _CB2    32     1.53453   111.54237   124.37632
   25    24 S   HC   HB21    33     1.09454   109.47249    56.37291
   26    24 S   HC   HB22    34     1.09350   109.75259   175.09711
   27    22 S   N    _N3_    24     1.38320   113.72548    39.06147
   28    27 S   H    _HN3    25     1.01589   119.58920    -3.38113
   29    24 S   S    _SG2    35     1.83055   111.00610   -64.14283
   30    27 S   CT   _CA3    26     1.45285   123.19007   177.11215
   31    30 S   HC   HA31    27     1.09550   107.51486   -64.45507
   32    30 S   HC   HA32    28     1.09558   107.97404    51.97554
   33    29 S   CT   _C21    36     1.88802   101.80663  -168.83149
   34    30 S   CO3  _C3_    29     1.52954   114.09791   173.97598
   35    34 S   O2Z  _O31    30     1.26373   116.07600    -0.44367
   36    34 S   O2Z  _O32    31     1.26429   114.40967   179.61437
   37    33 S   CA   _C12    37     1.54315   112.72493    59.35280
   38    33 S   CO4  _C16    74     1.54045   105.24470   179.09323
   39    38 S   O    _O21    75     1.22953   123.19097  -104.99160
   40    37 S   CA   _C11    38     1.41329   120.17021  -139.20943
   41    40 S   CA   _C7_    39     1.41295   120.00187   177.24111
   42    41 S   HA   _H32    40     1.08956   119.27166  -177.85716
   43    40 S   CT   _C18    52     1.51346   122.87936    -1.70892
   44    43 S   HC   _H34    53     1.09762   108.01648   111.43320
   45    41 S   CA   _C13    41     1.39596   121.84917     2.89449
   46    43 S   CT   _C20    54     1.53066   114.84481   -11.08328
   47    46 S   HC   _H36    55     1.09675   110.97868   -82.64515
   48    43 S   OH   _O24    78     1.43342   110.50066  -132.42362
   49    48 S   HO   _H43    79     0.97275   108.05324    43.90027
   50    45 S   CA   _C8_    42     1.39169   118.43870     1.41042
   51    50 S   HA   _H33    43     1.08747   119.50211   177.25648
   52    45 S   CT   _C23    47     1.49994   120.73504   178.59849
   53    52 S   HC   _H40    48     1.09539   110.89356    30.35266
   54    52 S   HC   _H41    49     1.09542   110.79963   150.10593
   55    33 S   CT   _C19    56     1.54519   107.86275   -65.10053
   56    55 S   HC   _H35    57     1.09865   109.96588    55.55881
   57    46 S   OH   _O25    76     1.43297   106.62529   161.33823
   58    57 S   HO   _H44    77     0.97231   108.33237   174.68843
   59    37 S   CA   _C15    44     1.41505   122.86032    44.10924
   60    52 S   OH   _O26    50     1.41917   109.02644   -89.78930
   61    60 S   HO   _H45    51     0.97222   107.03664   179.80021
   62    55 S   CO4  _C17    58     1.52308   112.60378   -61.83747
   63    62 S   O    _O22    59     1.22824   119.88211   141.88100
   64    59 S   OH   _O23    45     1.37178   120.14350     3.07014
   65    64 S   HO   _H42    46     0.97181   109.40724   177.67258
   66    62 S   CA   _C10    60     1.49039   118.55365   -40.11654
   67    66 S   CA   _C9_    61     1.40122   118.92952    12.29791
   68    67 S   CA   _C5_    62     1.40031   120.19201  -179.31357
   69    68 S   HA   _H30    63     1.08732   121.29251  -179.76427
   70    68 S   CA   _C4_    64     1.39011   120.11987    -0.34774
   71    70 S   HA   _H29    65     1.08661   119.96219  -179.80021
   72    70 S   CA   _C6_    66     1.39341   120.10664     0.19782
   73    72 S   HA   _H31    67     1.08582   117.36045   179.65565
   74    66 S   CA   _C14    68     1.41331   121.38616  -167.27851
   75    74 S   OS   _O27    69     1.37116   117.52941     0.60068
   76    75 S   CT   _C22    70     1.42211   118.06340  -175.57991
   77    76 S   HC   _H37    71     1.09431   107.71278   176.91314
   78    76 S   HC   _H38    72     1.09500   111.25478    59.17463
   79    76 S   HC   _H39    73     1.09479   111.04855   -65.48732
  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  11   5   4   3
  19   2   1   1  19  13   4  15  13   4  12   6   9  10   6   3
   1   8   3   5   3   2   9   4   2   1   2   1   1   7   3   1
   1   9   7   6   3   5   3   4   2   5   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    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    40    59    46    55    56    62    67    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    50    59    64    43    46    47    55    56    62    63    66    67    68    38    39    57  
   35    36  
   36  
    0  
   40    41    42    45    50    51    59    64    65    43    44    46    55    56    62    67    38    39    48  
   39    40    46    55    56    59    62    66    67    68    69    70    74  
   55    66    67    68  
   41    42    45    50    59    64    52    43    44    46    47    55    57    48    49  
   42    45    50    51    59    52    53    54    60    43    44    46    48  
   45    50    52    43  
   44    46    47    55    56    62    57    58    48    49    45    59  
   46    47    55    57    48    49  
   50    51    59    64    52    53    54    60    61  
   47    55    56    62    63    66    57    58    48    49  
   55    56    62    57    58    48  
   49    55    57  
    0  
   51    59    64    65    52    53    54    60  
   59    64    52  
   53    54    60    61    59  
   54    60    61  
   60    61  
   56    62    63    66    67    74    57    58    59  
   62    63    66    57  
   58    62  
    0  
   64    65  
   61  
    0  
   63    66    67    68    72    74    75  
   66    67    74  
   65  
    0  
   67    68    69    70    72    73    74    75    76  
   68    69    70    71    72    74    75  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75    76  
   74    75  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    59   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   317.000  1.510
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    64   450.000  1.364
   64    65   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   320.000  1.410
   60    61   553.000  0.945
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    55   268.000  1.529
   46    57   320.000  1.410
   55    56   340.000  1.090
   55    62   317.000  1.522
   62    63   570.000  1.229
   62    66   310.000  1.470
   66    67   469.000  1.400
   66    74   469.000  1.400
   67    68   469.000  1.400
   67    38   310.000  1.470
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   450.000  1.364
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   38    39   570.000  1.229
   57    58   553.000  0.945
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    80.00000  109.48900
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    59    70.00000  120.00000
   33    55    46    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    63.00000  111.10000
   33    38    67    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    59    50    63.00000  120.00000
   37    59    64    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   41    45    50    63.00000  120.00000
   41    45    52    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    59    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    60    90.00000  112.51600
   50    59    64    70.00000  120.00000
   59    37    40    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    64    65    35.00000  113.00000
   52    45    50    70.00000  120.00000
   52    60    61    55.00000  108.50000
   54    52    53    33.00000  107.80000
   60    52    53    35.00000  109.50000
   60    52    54    35.00000  109.50000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    46    57    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    62    63.00000  111.10000
   46    57    58    55.00000  108.50000
   55    33    37    70.00000  112.17500
   55    46    47    37.50000  110.70000
   55    62    63    80.00000  120.40000
   55    62    66    65.00000  115.47100
   62    55    56    35.00000  109.50000
   62    66    67    60.00000  119.52600
   62    66    74    60.00000  119.52600
   66    62    63    75.00000  123.78400
   66    67    68    63.00000  120.00000
   66    67    38    60.00000  119.52600
   66    74    72    63.00000  120.00000
   66    74    75    70.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    38    39    75.00000  123.78400
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    70.00000  120.00000
   74    66    67    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    75.00000  111.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   38    33    37    70.00000  110.93000
   38    33    55    63.00000  111.10000
   38    67    68    60.00000  119.52600
   57    46    47    35.00000  109.50000
   57    46    55    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    59  -0.16000  1.0 1.0
   29    33    37    59  -0.03200 -1.0 2.0
   29    33    37    59   0.04500  1.0 3.0
   29    33    55    46   0.44750  1.0 1.0
   29    33    55    46  -0.17800 -1.0 2.0
   29    33    55    46   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    62   0.56750  1.0 1.0
   29    33    55    62  -0.07550 -1.0 2.0
   29    33    55    62   0.20000  1.0 3.0
   29    33    38    67   0.65300  1.0 1.0
   29    33    38    67  -0.03850 -1.0 2.0
   29    33    38    67   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    59    50   3.62500 -1.0 2.0
   33    37    59    64   3.62500 -1.0 2.0
   33    55    62    63   0.30150 -1.0 2.0
   33    55    62    66   0.05850 -1.0 2.0
   33    55    62    66   0.17250  1.0 3.0
   37    33    55    46  -0.03700  1.0 1.0
   37    33    55    46   0.37200 -1.0 2.0
   37    33    55    46  -0.47300  1.0 3.0
   37    33    55    56   0.43200  1.0 3.0
   37    33    55    62   0.56750  1.0 1.0
   37    33    55    62  -0.07550 -1.0 2.0
   37    33    55    62   0.20000  1.0 3.0
   37    33    38    67   0.65300  1.0 1.0
   37    33    38    67  -0.03850 -1.0 2.0
   37    33    38    67   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48   0.14300 -1.0 2.0
   37    40    43    48   0.00300  1.0 3.0
   37    59    64    65   0.84100 -1.0 2.0
   40    37    59    50   3.62500 -1.0 2.0
   40    37    59    64   3.62500 -1.0 2.0
   40    41   -45    50   3.62500 -1.0 2.0
   40    41    45    52   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    55  -0.03700  1.0 1.0
   40    43    46    55   0.37200 -1.0 2.0
   40    43    46    55  -0.47300  1.0 3.0
   40    43    46    57   1.13150  1.0 1.0
   40    43    46    57  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48   0.14300 -1.0 2.0
   41    40    43    48   0.00300  1.0 3.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    59   3.62500 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    54   0.00000  1.0 1.0
   41    45    52    60   0.14300 -1.0 2.0
   41    45    52    60   0.00300  1.0 3.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50   -59    37   3.62500 -1.0 2.0
   45    50    59    64   3.62500 -1.0 2.0
   45    52    60    61   0.31900  1.0 1.0
   45    52    60    61  -0.11800 -1.0 2.0
   45    52    60    61   0.38750  1.0 3.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    54   0.00000  1.0 1.0
   50    45    52    60   0.14300 -1.0 2.0
   50    45    52    60   0.00300  1.0 3.0
   50    59    64    65   0.84100 -1.0 2.0
   51    50    59    37   3.62500 -1.0 2.0
   51    50    59    64   3.62500 -1.0 2.0
   59    37   -40    41   3.62500 -1.0 2.0
   59    37    40    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    59   3.62500 -1.0 2.0
   53    52    60    61   0.19450  1.0 3.0
   54    52    60    61   0.19450  1.0 3.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -55    33   0.56750  1.0 1.0
   43    46   -55    33  -0.07550 -1.0 2.0
   43    46   -55    33   0.20000  1.0 3.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    62  -0.95700  1.0 1.0
   43    46    55    62  -0.18200 -1.0 2.0
   43    46    55    62   0.29450  1.0 3.0
   43    46    57    58  -0.11600  1.0 1.0
   43    46    57    58  -0.09450 -1.0 2.0
   43    46    57    58   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    55   0.15000  1.0 3.0
   44    43    46    57   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    55    62    63   0.30150 -1.0 2.0
   46    55    62    66   0.05850 -1.0 2.0
   46    55    62    66   0.17250  1.0 3.0
   47    46    55    33   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    62  -0.11250  1.0 3.0
   47    46    57    58   0.19450  1.0 3.0
   55    33   -37    40   0.04150 -1.0 2.0
   55    33    37    59   0.04150 -1.0 2.0
   55    33    38    67   0.05850 -1.0 2.0
   55    33    38    67   0.17250  1.0 3.0
   55    33    38    39   0.30150 -1.0 2.0
   55    46    57    58  -0.11600  1.0 1.0
   55    46    57    58  -0.09450 -1.0 2.0
   55    46    57    58   0.21250  1.0 3.0
   55    62   -66    67   2.26350  1.0 1.0
   55    62   -66    67   0.76750 -1.0 2.0
   55    62   -66    67   0.22500  1.0 3.0
   55    62    66    74   2.26350  1.0 1.0
   55    62    66    74   0.76750 -1.0 2.0
   55    62    66    74   0.22500  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    66   0.00000  1.0 1.0
   62    66    67    68   3.62500 -1.0 2.0
   62    66    67    38   3.62500 -1.0 2.0
   62    66    74    72   3.62500 -1.0 2.0
   62    66    74    75   3.62500 -1.0 2.0
   63    62    66    67   1.05000 -1.0 2.0
   63    62    66    74   1.05000 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    68    70   3.62500 -1.0 2.0
   66    67   -38    33   2.26350  1.0 1.0
   66    67   -38    33   0.76750 -1.0 2.0
   66    67   -38    33   0.22500  1.0 3.0
   66    67    38    39   1.05000 -1.0 2.0
   66    74    75    76   1.63200 -1.0 2.0
   67    66    74    72   3.62500 -1.0 2.0
   67    66    74    75   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68   -70    72   3.62500 -1.0 2.0
   68    67    38    33   2.26350  1.0 1.0
   68    67    38    33   0.76750 -1.0 2.0
   68    67    38    33   0.22500  1.0 3.0
   68    67    38    39   1.05000 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    66   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   1.63200 -1.0 2.0
   73    72    74    66   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    66   -67    68   3.62500 -1.0 2.0
   74    66    67    38   3.62500 -1.0 2.0
   74    75    76    77   0.08050  1.0 3.0
   74    75    76    78   0.08050  1.0 3.0
   74    75    76    79   0.08050  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    59   0.04300 -1.0 2.0
   38    33    55    46  -0.95700  1.0 1.0
   38    33    55    46  -0.18200 -1.0 2.0
   38    33    55    46   0.29450  1.0 3.0
   38    33    55    56  -0.11250  1.0 3.0
   38    33   -55    62   0.11950  1.0 1.0
   38    33   -55    62   0.20300 -1.0 2.0
   38    33   -55    62  -0.70800  1.0 3.0
   38    67    68    69   3.62500 -1.0 2.0
   38    67    68    70   3.62500 -1.0 2.0
   57    46    55    33   0.86500  1.0 1.0
   57    46    55    33  -0.17500 -1.0 2.0
   57    46    55    33   0.20800  1.0 3.0
   57    46    55    56   0.23400  1.0 3.0
   57    46    55    62  -0.09450  1.0 1.0
   57    46    55    62  -1.12950 -1.0 2.0
   57    46    55    62   0.54000  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    55   0.86500  1.0 1.0
   48    43    46    55  -0.17500 -1.0 2.0
   48    43    46    55   0.20800  1.0 3.0
   48    43    46    57   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   40    59    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   59    51    50    45   1.10000 -1.0 2.0
   50    64    59    37   4.00000 -1.0 2.0
   55    66    62    63  10.50000 -1.0 2.0
   67    74    66    62   4.00000 -1.0 2.0
   68    38    67    66   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    66   4.00000 -1.0 2.0
   33    67    38    39  10.50000 -1.0 2.0
END
