* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    28.67586    96.24392   -22.49326
    2     1 S   H    _HN1     2     1.02785    98.09580   -90.40143
    3     1 S   H    _H1_     3     1.02953    75.00666    16.53261
    4     1 S   H    _H2_     4     1.02830    38.95941   161.08187
    5     1 S   CT   _CA1     5     1.50105   144.46164   120.75994
    6     5 S   HC   _HA1     6     1.09574   105.21144    85.00658
    7     5 S   CO3  _C1_     7     1.53803   112.47281   -35.23683
    8     7 S   O2Z  _O11     8     1.26370   115.01135   -42.39903
    9     7 S   O2Z  _O12     9     1.26245   114.95196   136.82127
   10     5 S   CT   _CB1    10     1.53092   107.42735  -157.00972
   11    10 S   HC   HB11    11     1.09829   109.39299   -49.94747
   12    10 S   HC   HB12    12     1.09815   110.43217    66.66980
   13    10 S   CT   _CG1    13     1.52972   112.58385  -170.95269
   14    13 S   HC   HG11    14     1.09593   110.56778   -64.75339
   15    13 S   HC   HG12    15     1.09668   109.84449    54.46478
   16    13 S   C    _CD1    16     1.51790   112.33952   174.91608
   17    16 S   O    _OE1    17     1.22710   123.32500     3.70544
   18    16 S   N    _N2_    18     1.38623   111.54424  -176.34896
   19    18 S   H    _HN2    19     1.01577   118.94963     2.10012
   20    18 S   CT1  _CA2    20     1.46257   123.52290   178.52940
   21    20 S   HC   _HA2    21     1.09746   109.43739     0.67897
   22    20 S   C    _C2_    22     1.53517   108.48596  -114.80054
   23    22 S   O    _O2_    23     1.23033   122.40526  -147.80630
   24    20 S   CT   _CB2    32     1.53395   111.27953   122.69900
   25    24 S   HC   HB21    33     1.09465   109.68551    55.74944
   26    24 S   HC   HB22    34     1.09334   109.91314   174.45263
   27    22 S   N    _N3_    24     1.38379   113.61322    39.65135
   28    27 S   H    _HN3    25     1.01592   119.54331    -3.33736
   29    24 S   S    _SG2    35     1.83200   110.83361   -65.85491
   30    27 S   CT   _CA3    26     1.45280   123.19126   177.10924
   31    30 S   HC   HA31    27     1.09552   107.49964   -64.74407
   32    30 S   HC   HA32    28     1.09560   107.99221    51.69027
   33    29 S   CT   _C19    36     1.86732   101.41370   167.68471
   34    30 S   CO3  _C3_    29     1.52956   114.09433   173.67597
   35    34 S   O2Z  _O31    30     1.26374   116.07540    -1.19025
   36    34 S   O2Z  _O32    31     1.26433   114.41350   178.88566
   37    33 S   CO4  _C20    37     1.54685   106.69364    61.49215
   38    37 S   O    _O34    38     1.23859   119.26666   -94.29029
   39    33 S   CT   _C18    71     1.53876   110.79715  -178.23819
   40    39 S   HC   _H4_    72     1.09766   110.20538   172.69824
   41    33 S   C    _C23    75     1.54749   109.51258   -60.84722
   42    41 S   O    _O37    76     1.23062   123.18223   139.46209
   43    37 S   CT   _C21    39     1.55811   118.94217    78.96915
   44    43 S   OM   _O36    40     1.32498   106.60187   156.44227
   45    39 S   OH   _O38    73     1.42348   111.92311    53.85207
   46    45 S   HO   _H15    74     0.97314   107.52910  -178.76679
   47    41 S   N    _N4_    77     1.37683   115.68327   -44.59103
   48    47 S   H    _H13    78     1.01527   121.58692     0.50319
   49    47 S   H    _H14    79     1.01357   120.84164  -178.39258
   50    43 S   CO4  _C22    41     1.53681   110.30857   -90.56776
   51    50 S   O    _O35    42     1.23305   121.48649   -45.32177
   52    50 S   CA   _C13    43     1.49899   120.22060   133.79347
   53    52 S   CA   _C14    44     1.40071   119.68741    18.92323
   54    52 S   CA   _C12    55     1.40930   120.64539  -162.06631
   55    53 S   CA   _C5_    45     1.41954   119.38082   174.05406
   56    54 S   OH   _O39    56     1.37711   120.47638     2.44729
   57    56 S   HO   _H16    57     0.97263   109.75008    -6.21050
   58    53 S   CT   _C15    64     1.51207   119.63087    -4.69811
   59    58 S   HC   _H11    65     1.09706   108.35822    91.35685
   60    58 S   HC   _H12    66     1.09591   110.65606  -151.61341
   61    55 S   CA   _C6_    46     1.43066   120.60370     7.62143
   62    55 S   CT   _C4_    60     1.51686   119.53829  -174.07606
   63    62 S   HC   _H5_    61     1.09404   110.10741   -94.52432
   64    62 S   HC   _H6_    62     1.09392   112.20219    27.28407
   65    62 S   HC   _H7_    63     1.09437   111.52344   143.47292
   66    43 S   CT   _C16    67     1.53304   114.09448    37.95901
   67    66 S   HC   _H3_    68     1.10310   110.60050    73.63485
   68    61 S   CA   _C7_    47     1.41852   122.14460   174.16598
   69    68 S   HA   _H8_    48     1.08760   121.06387    -1.35451
   70    66 S   CO4  _C17    69     1.52348   111.44597   -40.72689
   71    70 S   O    _O33    70     1.23088   122.84187  -131.77364
   72    68 S   CA   _C8_    49     1.39364   122.72880   179.61235
   73    72 S   HA   _H9_    50     1.08600   120.08146   179.96044
   74    72 S   CA   _C9_    51     1.38092   119.60008     0.17914
   75    74 S   HA   _H10    52     1.08596   119.46356  -179.98022
   76    74 S   CA   _C10    53     1.39550   119.30590     0.37115
   77    61 S   CA   _C11    54     1.42037   119.86646    -5.31109
   78    76 S   OH   _O40    58     1.37449   117.29892   179.62310
   79    78 S   HO   _H17    59     0.97153   109.42179    -0.55214
  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
  17   2   1   1  16   6  12   6   7   3  13   7   4   1   2   1
   1  11   4  13  16  10  14   4   1   8   4   3  12   5   2   1
   1   3   2   7   4   1   1   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    70    39    40    45    41    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    50    66    70    71    39    40    45    46    41    42    47    48    49  
   35    36  
   36  
    0  
   38    43    44    50    51    52    58    66    67    70    39    40    45    41    42    47  
   43    44    50    66    39    41  
   40    45    46    41    42    47    43    58    66    67    70    71  
   45    46    41    66    70    71  
   42    47    48    49    43    45    70  
   47    48    49  
   44    50    51    52    53    54    58    59    60    66    67    70    71  
   50    51    52    58    66    67    70  
   46    66    70    71  
   70  
   48    49  
   49  
    0  
   51    52    53    55    77    54    56    58    66    67    70  
   52    53    54    66  
   53    55    61    76    77    54    56    57    62    58    59    60    66  
   55    61    68    77    54    56    62    63    64    65    58    59    60    66    67    70  
   56    57    78    58    55    61    68    74    76    77  
   61    68    69    72    76    77    62    63    64    65    58    59    60    66  
   57    61    76    77  
   77  
   59    60    66    67    70    71    61    62  
   60    66    67    70  
   66    67    70  
   68    69    72    73    74    76    77    78    62    63    64    65  
   63    64    65    68    77  
   64    65  
   65  
    0  
   67    70    71  
   70    71  
   69    72    73    74    75    76    77  
   72    73    74    77  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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    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  1.522
   33    39   268.000  1.529
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   317.000  1.522
   43    44   570.000  1.307
   43    50   317.000  1.522
   43    66   268.000  1.529
   50    51   570.000  1.229
   50    52   310.000  1.470
   52    53   469.000  1.400
   52    54   469.000  1.400
   53    55   469.000  1.400
   53    58   317.000  1.510
   55    61   469.000  1.400
   55    62   317.000  1.510
   61    68   469.000  1.400
   61    77   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    54   469.000  1.400
   54    56   450.000  1.364
   56    57   553.000  0.945
   78    79   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    70   317.000  1.522
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    45   320.000  1.410
   45    46   553.000  0.945
   41    42   570.000  1.229
   41    47   490.000  1.335
   47    48   434.000  1.010
   47    49   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    70.00000  116.00000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    50.00000  109.50000
   33    41    42    80.00000  120.40000
   33    41    47    70.00000  116.60000
   37    43    44    90.00000  108.74100
   37    43    50    75.00000  107.99600
   37    43    66    63.00000  111.10000
   43    37    38    80.00000  120.40000
   43    50    51    80.00000  120.40000
   43    50    52    65.00000  115.47100
   43    66    58    58.35000  112.70000
   43    66    67    37.50000  110.70000
   43    66    70    63.00000  111.10000
   50    43    44    90.00000  108.74100
   50    52    53    60.00000  119.52600
   50    52    54    60.00000  119.52600
   52    50    51    75.00000  123.78400
   52    53    55    63.00000  120.00000
   52    53    58    70.00000  120.00000
   52    54    77    63.00000  120.00000
   52    54    56    70.00000  120.00000
   53    55    61    63.00000  120.00000
   53    55    62    70.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    66    70.00000  112.17500
   55    61    68    63.00000  120.00000
   55    61    77    63.00000  120.00000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    65    35.00000  109.50000
   61    68    69    35.00000  120.00000
   61    68    72    63.00000  120.00000
   61    77    76    63.00000  120.00000
   61    77    54    63.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    78    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    54    63.00000  120.00000
   76    78    79    35.00000  113.00000
   77    61    68    63.00000  120.00000
   77    54    56    70.00000  120.00000
   54    52    53    63.00000  120.00000
   54    56    57    35.00000  113.00000
   78    76    77    70.00000  120.00000
   62    55    61    70.00000  120.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   58    53    55    70.00000  120.00000
   58    66    67    37.50000  110.70000
   58    66    70    63.00000  111.10000
   60    58    59    33.00000  107.80000
   66    43    44    50.00000  109.50000
   66    43    50    63.00000  111.10000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    39    70.00000  116.00000
   70    66    67    35.00000  109.50000
   70    39    40    35.00000  109.50000
   70    39    45    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    70    71    80.00000  120.40000
   39    45    46    55.00000  108.50000
   45    39    40    35.00000  109.50000
   41    33    37    70.00000  107.85200
   41    33    39    63.00000  111.10000
   41    47    48    35.00000  119.80000
   41    47    49    35.00000  119.80000
   47    41    42    80.00000  122.90000
   49    47    48    35.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    47   0.00000  1.0 1.0
   33    37    43    44   0.55300  1.0 1.0
   33    37    43    44   1.25850 -1.0 2.0
   33    37    43    44  -0.23600  1.0 3.0
   33    37    43    50   0.65300  1.0 1.0
   33    37    43    50  -0.03850 -1.0 2.0
   33    37    43    50   0.33900  1.0 3.0
   33    37    43    66   0.60050  1.0 1.0
   33    37    43    66   0.05600 -1.0 2.0
   33    37    43    66   0.26150  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   33    41    47    48   2.45000 -1.0 2.0
   33    41    47    49   2.45000 -1.0 2.0
   37    33    39    70   0.11950  1.0 1.0
   37    33    39    70   0.20300 -1.0 2.0
   37    33    39    70  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    45  -0.09450  1.0 1.0
   37    33    39    45  -1.12950 -1.0 2.0
   37    33    39    45   0.54000  1.0 3.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    47   0.00000  1.0 1.0
   37    43    50    51   0.30150 -1.0 2.0
   37    43    50    52   0.65300  1.0 1.0
   37    43    50    52  -0.03850 -1.0 2.0
   37    43    50    52   0.33900  1.0 3.0
   37    43    66    58  -0.95700  1.0 1.0
   37    43    66    58  -0.18200 -1.0 2.0
   37    43    66    58   0.29450  1.0 3.0
   37    43    66    67  -0.11250  1.0 3.0
   37    43   -66    70   0.11950  1.0 1.0
   37    43   -66    70   0.20300 -1.0 2.0
   37    43   -66    70  -0.70800  1.0 3.0
   38    37    43    44   0.30150 -1.0 2.0
   38    37    43    50   0.30150 -1.0 2.0
   38    37    43    66   0.30150 -1.0 2.0
   43    50    52    53   2.26350  1.0 1.0
   43    50    52    53   0.76750 -1.0 2.0
   43    50    52    53   0.22500  1.0 3.0
   43    50    52    54   2.26350  1.0 1.0
   43    50    52    54   0.76750 -1.0 2.0
   43    50    52    54   0.22500  1.0 3.0
   43    66    70    71   0.30150 -1.0 2.0
   43    66    70    39   0.60050  1.0 1.0
   43    66    70    39   0.05600 -1.0 2.0
   43    66    70    39   0.26150  1.0 3.0
   44    43    50    51   0.30150 -1.0 2.0
   44    43    50    52   0.65300  1.0 1.0
   44    43    50    52  -0.03850 -1.0 2.0
   44    43    50    52   0.33900  1.0 3.0
   44    43    66    58   0.62750  1.0 1.0
   44    43    66    58  -0.30950 -1.0 2.0
   44    43    66    58   0.27300  1.0 3.0
   44    43    66    67   0.23400  1.0 3.0
   44    43    66    70  -0.09450  1.0 1.0
   44    43    66    70  -1.12950 -1.0 2.0
   44    43    66    70   0.54000  1.0 3.0
   50    43    66    58  -0.95700  1.0 1.0
   50    43    66    58  -0.18200 -1.0 2.0
   50    43    66    58   0.29450  1.0 3.0
   50    43    66    67  -0.11250  1.0 3.0
   50    43    66    70   0.11950  1.0 1.0
   50    43    66    70   0.20300 -1.0 2.0
   50    43    66    70  -0.70800  1.0 3.0
   50    52    53    55   3.62500 -1.0 2.0
   50    52   -53    58   3.62500 -1.0 2.0
   50    52    54    77   3.62500 -1.0 2.0
   50    52    54    56   3.62500 -1.0 2.0
   51    50    52    53   1.05000 -1.0 2.0
   51    50    52    54   1.05000 -1.0 2.0
   52    53    55    61   3.62500 -1.0 2.0
   52    53    55    62   3.62500 -1.0 2.0
   52    53    58    59   0.00000  1.0 1.0
   52    53    58    60   0.00000  1.0 1.0
   52    53    58    66   0.04150 -1.0 2.0
   52    54    56    57   0.84100 -1.0 2.0
   53    52    54    77   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   53    55    61    68   3.62500 -1.0 2.0
   53    55   -61    77   3.62500 -1.0 2.0
   53    55    62    63   0.00000  1.0 1.0
   53    55    62    64   0.00000  1.0 1.0
   53    55    62    65   0.00000  1.0 1.0
   53    58   -66    43  -0.03700  1.0 1.0
   53    58   -66    43   0.37200 -1.0 2.0
   53    58   -66    43  -0.47300  1.0 3.0
   53    58    66    67   0.43200  1.0 3.0
   53    58    66    70   0.56750  1.0 1.0
   53    58    66    70  -0.07550 -1.0 2.0
   53    58    66    70   0.20000  1.0 3.0
   55    53    58    59   0.00000  1.0 1.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    66   0.04150 -1.0 2.0
   55    61    68    69   3.62500 -1.0 2.0
   55    61    68    72   3.62500 -1.0 2.0
   55    61    77    76   3.62500 -1.0 2.0
   55    61    77    54   3.62500 -1.0 2.0
   61    55    62    63   0.00000  1.0 1.0
   61    55    62    64   0.00000  1.0 1.0
   61    55    62    65   0.00000  1.0 1.0
   61    68    72    73   3.62500 -1.0 2.0
   61    68    72    74   3.62500 -1.0 2.0
   61    77   -54    52   3.62500 -1.0 2.0
   61    77    54    56   3.62500 -1.0 2.0
   68    61    77    76   3.62500 -1.0 2.0
   68    61    77    54   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72   -74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -77    61   3.62500 -1.0 2.0
   74    76    77    54   3.62500 -1.0 2.0
   74    76    78    79   0.84100 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    77    54    52   3.62500 -1.0 2.0
   76    77    54    56   3.62500 -1.0 2.0
   77    61    68    69   3.62500 -1.0 2.0
   77    61   -68    72   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   77    54    56    57   0.84100 -1.0 2.0
   54    52   -53    55   3.62500 -1.0 2.0
   54    52    53    58   3.62500 -1.0 2.0
   78    76    77    61   3.62500 -1.0 2.0
   78    76    77    54   3.62500 -1.0 2.0
   62    55    61    68   3.62500 -1.0 2.0
   62    55    61    77   3.62500 -1.0 2.0
   58    53    55    61   3.62500 -1.0 2.0
   58    53    55    62   3.62500 -1.0 2.0
   58    66    70    71   0.30150 -1.0 2.0
   58    66    70    39   0.60050  1.0 1.0
   58    66    70    39   0.05600 -1.0 2.0
   58    66    70    39   0.26150  1.0 3.0
   59    58    66    43   0.15000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    70  -0.11250  1.0 3.0
   60    58    66    43   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    70  -0.11250  1.0 3.0
   66    43    50    51   0.30150 -1.0 2.0
   66    43   -50    52   0.05850 -1.0 2.0
   66    43   -50    52   0.17250  1.0 3.0
   66    70   -39    33   0.60050  1.0 1.0
   66    70   -39    33   0.05600 -1.0 2.0
   66    70   -39    33   0.26150  1.0 3.0
   66    70    39    40   0.00000  1.0 1.0
   66    70    39    45   0.55300  1.0 1.0
   66    70    39    45   1.25850 -1.0 2.0
   66    70    39    45  -0.23600  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    39   0.00000  1.0 1.0
   70    39    45    46   0.91850  1.0 1.0
   70    39    45    46   0.57950  1.0 3.0
   71    70    39    33   0.30150 -1.0 2.0
   71    70    39    40   0.00000  1.0 1.0
   71    70    39    45   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.60050  1.0 1.0
   39    33   -37    43   0.05600 -1.0 2.0
   39    33   -37    43   0.26150  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    47   1.39750  1.0 1.0
   39    33    41    47  -0.07950 -1.0 2.0
   39    33    41    47  -0.18750  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    70   0.11950  1.0 1.0
   41    33    39    70   0.20300 -1.0 2.0
   41    33    39    70  -0.70800  1.0 3.0
   41    33    39    40  -0.11250  1.0 3.0
   41    33    39    45  -0.09450  1.0 1.0
   41    33    39    45  -1.12950 -1.0 2.0
   41    33    39    45   0.54000  1.0 3.0
   42    41    47    48   2.45000 -1.0 2.0
   42    41    47    49   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   43    52    50    51  10.50000 -1.0 2.0
   53    54    52    50   4.00000 -1.0 2.0
   55    58    53    52   4.00000 -1.0 2.0
   61    62    55    53   4.00000 -1.0 2.0
   68    77    61    55   4.00000 -1.0 2.0
   72    69    68    61   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    78    76    74   4.00000 -1.0 2.0
   76    54    77    61   4.00000 -1.0 2.0
   77    56    54    52   4.00000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
   33    47    41    42  10.50000 -1.0 2.0
   49    41    47    48   1.00000 -1.0 2.0
END
