* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    142    230     421
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    80.34946   -83.33724
    3     1 S   H    _H1_     3     1.02132    98.49626    24.30357
    4     1 S   H    _H2_     4     1.02051    35.89564   134.61907
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.67109    58.69410
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C21    36     1.87577    96.27422  -178.14871
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C20    37     1.53655   109.33435   179.98022
   38    33 S   CO4  _C22    72     1.54410   103.14765   -58.78101
   39    38 S   O    _O34    73     1.23191   122.26196   -51.95733
   40    37 S   CA   _C15    38     1.41763   118.72448   -77.38319
   41    40 S   CA   _C16    39     1.40721   119.61417   177.50064
   42    41 S   HA   _H11    40     1.08777   119.68406  -177.35514
   43    40 S   CT   _C14    52     1.51495   120.11611     1.05425
   44    43 S   HC   _H4_    53     1.10364   109.23513    88.58934
   45    41 S   CA   _C17    41     1.39169   120.91014     2.18570
   46    43 S   CT   _C13    54     1.54440   114.70760   -32.52444
   47    46 S   HC   _H3_    55     1.10212   106.89704  -106.62062
   48    43 S   OH   _O37    78     1.43170   110.25535  -153.90422
   49    48 S   HO   _H17    79     0.96953   106.57140    60.01015
   50    45 S   CA   _C18    42     1.38717   119.76301    -0.66382
   51    50 S   HA   _H12    43     1.08953   120.04493   179.49024
   52    45 S   CT   _C23    47     1.49185   120.12038   179.61033
   53    52 S   HC   _H14    48     1.09855   111.46942  -134.96704
   54    52 S   HC   _H15    49     1.09932   111.21711   -15.21641
   55    33 S   CM   _C12    56     1.52115   108.55096    61.70421
   56    46 S   OH   _O38    76     1.43161   108.54399   140.55872
   57    56 S   HO   _H18    77     0.96894   106.48860    54.20395
   58    37 S   CA   _C19    44     1.40619   122.99215   102.50586
   59    52 S   OH   _O36    50     1.42276   109.43925   104.87262
   60    59 S   HO   _H16    51     0.97046   106.66087  -179.97202
   61    55 S   CM   _C11    57     1.34833   123.45255  -120.73567
   62    58 S   OH   _O35    45     1.36544   122.70882     0.05595
   63    62 S   HO   _H13    46     0.96772   109.89935  -178.87135
   64    61 S   CA   _C10    58     1.47306   122.04232     1.74540
   65    61 S   OH   _O39    74     1.38452   120.00084  -176.85378
   66    65 S   HO   _H19    75     0.96282   109.88859    -1.33647
   67    64 S   CA   _C9_    59     1.40030   120.12626     0.62994
   68    67 S   CA   _C8_    60     1.40588   120.92688  -179.37913
   69    68 S   HA   _H10    61     1.09051   120.74977  -179.83331
   70    68 S   CA   _C7_    62     1.39151   120.38159    -0.53376
   71    70 S   HA   _H9_    63     1.08445   120.11481   179.69739
   72    70 S   CA   _C6_    64     1.38790   119.52770    -0.58684
   73    72 S   HA   _H8_    65     1.08658   119.59104  -179.34449
   74    64 S   CA   _C5_    66     1.40784   122.33372   179.66780
   75    74 S   OS   _O33    67     1.36971   122.38433    -1.90680
   76    75 S   CT   _C4_    68     1.42410   116.98120   -90.01871
   77    76 S   HC   _H5_    69     1.09306   109.56393   179.98022
   78    76 S   HC   _H6_    70     1.09346   109.44831    59.21003
   79    76 S   HC   _H7_    71     1.09183   109.02832   -60.35368
  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
  18   2   1   1  18  12   4  15  13   4  11   6   9   9   5   3
   1   8   3   5   3   2   9   2   1   2   1   1   8   1   1  11
   3   1   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    58    46    55    61    67    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    50    58    62    43    46    47    55    61    64    67    68    38    39    65    56  
   35    36  
   36  
    0  
   40    41    42    45    50    51    58    62    63    43    44    46    55    61    67    38    39    48  
   39    40    46    55    58    61    64    67    68    69    70    74  
   55    64    67    68  
   41    42    45    50    58    62    52    43    44    46    47    55    56    48    49  
   42    45    50    51    58    52    53    54    59    43    44    46    48  
   45    50    52    43  
   44    46    47    55    61    56    57    48    49    45    58  
   46    47    55    56    48    49  
   50    51    58    62    52    53    54    59    60  
   47    55    61    64    65    56    57    48    49  
   55    61    56    57    48  
   49    55    56  
    0  
   51    58    62    63    52    53    54    59  
   58    62    52  
   53    54    59    60    58  
   54    59    60  
   59    60  
   61    64    67    74    65    66    56    57    58  
   57    61  
    0  
   62    63  
   60  
    0  
   64    67    68    72    74    75    65    66  
   63  
    0  
   67    68    69    70    72    73    74    75    76    65    66  
   66    67    74  
    0  
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    58   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    58   469.000  1.400
   58    62   450.000  1.364
   62    63   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   320.000  1.410
   59    60   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   317.000  1.510
   46    56   320.000  1.410
   55    61   549.000  1.340
   61    64   320.000  1.460
   61    65   510.000  1.338
   64    67   469.000  1.400
   64    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
   65    66   553.000  0.945
   56    57   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  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    55    46    65.00000  117.92700
   33    55    61    70.00000  124.00000
   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    58    50    63.00000  120.00000
   37    58    62    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    58    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    59    90.00000  112.51600
   50    58    62    70.00000  120.00000
   58    37    40    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    62    63    35.00000  113.00000
   52    45    50    70.00000  120.00000
   52    59    60    55.00000  108.50000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    55    70.00000  112.02700
   43    46    56    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    55    61    70.00000  124.00000
   46    56    57    55.00000  108.50000
   55    33    37    70.00000  112.99600
   55    46    47    35.00000  109.50000
   55    61    64    60.00000  123.20500
   55    61    65    80.00000  121.38400
   61    64    67    60.00000  120.93500
   61    64    74    60.00000  120.93500
   61    65    66    70.00000  107.45700
   64    67    68    63.00000  120.00000
   64    67    38    60.00000  119.52600
   64    74    72    63.00000  120.00000
   64    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    64    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    70.00000  109.06800
   38    67    68    60.00000  119.52600
   65    61    64    85.00000  114.86500
   56    46    47    35.00000  109.50000
   56    46    55    90.00000  110.39200
   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  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  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    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    55    46   0.30250  1.0 1.0
   29    33    55    46  -0.14950 -1.0 2.0
   29    33    55    46   0.36900  1.0 3.0
   29    33    55    61   0.42700  1.0 1.0
   29    33    55    61  -0.70350 -1.0 2.0
   29    33    55    61  -0.43150  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    58    50   3.62500 -1.0 2.0
   33    37    58    62   3.62500 -1.0 2.0
   33    55    61    64   7.00000 -1.0 2.0
   33    55    61    65   7.00000 -1.0 2.0
   37    33    55    46   0.09700  1.0 1.0
   37    33    55    46   0.15600 -1.0 2.0
   37    33    55    46  -0.50800  1.0 3.0
   37    33    55    61   1.44450  1.0 1.0
   37    33    55    61   0.06600 -1.0 2.0
   37    33    55    61   0.29250  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    58    62    63   0.84100 -1.0 2.0
   40    37    58    50   3.62500 -1.0 2.0
   40    37    58    62   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   0.21200  1.0 1.0
   40    43    46    55   0.16900 -1.0 2.0
   40    43    46    55  -1.15100  1.0 3.0
   40    43    46    56   1.13150  1.0 1.0
   40    43    46    56  -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    58   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    59   0.14300 -1.0 2.0
   41    45    52    59   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   -58    37   3.62500 -1.0 2.0
   45    50    58    62   3.62500 -1.0 2.0
   45    52    59    60   0.31900  1.0 1.0
   45    52    59    60  -0.11800 -1.0 2.0
   45    52    59    60   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    59   0.14300 -1.0 2.0
   50    45    52    59   0.00300  1.0 3.0
   50    58    62    63   0.84100 -1.0 2.0
   51    50    58    37   3.62500 -1.0 2.0
   51    50    58    62   3.62500 -1.0 2.0
   58    37   -40    41   3.62500 -1.0 2.0
   58    37    40    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    58   3.62500 -1.0 2.0
   53    52    59    60   0.19450  1.0 3.0
   54    52    59    60   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   0.46850  1.0 1.0
   43    46   -55    33   0.08550 -1.0 2.0
   43    46   -55    33   0.09800  1.0 3.0
   43    46    55    61   0.09850  1.0 1.0
   43    46    55    61   0.15250 -1.0 2.0
   43    46    55    61  -0.50650  1.0 3.0
   43    46    56    57  -0.11600  1.0 1.0
   43    46    56    57  -0.09450 -1.0 2.0
   43    46    56    57   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    56   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    61    64   7.00000 -1.0 2.0
   46    55    61    65   7.00000 -1.0 2.0
   47    46    55    33   0.34800  1.0 3.0
   47    46    55    61   0.00000  1.0 1.0
   47    46    56    57   0.19450  1.0 3.0
   55    33   -37    40   0.18050 -1.0 2.0
   55    33    37    58   0.18050 -1.0 2.0
   55    33    38    67   0.65300  1.0 1.0
   55    33    38    67  -0.03850 -1.0 2.0
   55    33    38    67   0.33900  1.0 3.0
   55    33    38    39   0.30150 -1.0 2.0
   55    46    56    57  -0.07800  1.0 1.0
   55    46    56    57  -0.21500 -1.0 2.0
   55    46    56    57  -0.03150  1.0 3.0
   55    61   -64    67   0.15800  1.0 1.0
   55    61   -64    67   1.85350 -1.0 2.0
   55    61   -64    67  -0.48700  1.0 3.0
   55    61    64    74   0.15800  1.0 1.0
   55    61    64    74   1.85350 -1.0 2.0
   55    61    64    74  -0.48700  1.0 3.0
   55    61    65    66  -0.66100  1.0 1.0
   55    61    65    66   1.20850 -1.0 2.0
   55    61    65    66  -0.36000  1.0 3.0
   61    64    67    68   3.62500 -1.0 2.0
   61    64    67    38   3.62500 -1.0 2.0
   61    64    74    72   3.62500 -1.0 2.0
   61    64    74    75   3.62500 -1.0 2.0
   64    61    65    66   2.00000 -1.0 2.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67   -38    33   2.26350  1.0 1.0
   64    67   -38    33   0.76750 -1.0 2.0
   64    67   -38    33   0.22500  1.0 3.0
   64    67    38    39   1.05000 -1.0 2.0
   64    74    75    76   1.63200 -1.0 2.0
   67    64    74    72   3.62500 -1.0 2.0
   67    64    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    64   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    64   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    64   -67    68   3.62500 -1.0 2.0
   74    64    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    58   0.04300 -1.0 2.0
   38    33    55    46   0.17250  1.0 1.0
   38    33    55    46  -0.04100 -1.0 2.0
   38    33    55    46  -0.33850  1.0 3.0
   38    33   -55    61  -0.51250  1.0 1.0
   38    33   -55    61  -0.88800 -1.0 2.0
   38    33   -55    61   0.08850  1.0 3.0
   38    67    68    69   3.62500 -1.0 2.0
   38    67    68    70   3.62500 -1.0 2.0
   65    61    64    67  -0.01750  1.0 1.0
   65    61    64    67  -0.32000 -1.0 2.0
   65    61    64    67   0.00600  1.0 3.0
   65    61    64    74  -0.01750  1.0 1.0
   65    61    64    74  -0.32000 -1.0 2.0
   65    61    64    74   0.00600  1.0 3.0
   56    46    55    33   0.18000  1.0 1.0
   56    46    55    33   0.16450 -1.0 2.0
   56    46    55    33   0.04450  1.0 3.0
   56    46    55    61   0.67800  1.0 1.0
   56    46    55    61   0.47050 -1.0 2.0
   56    46    55    61  -0.62500  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    55   1.05650  1.0 1.0
   48    43    46    55   0.15600 -1.0 2.0
   48    43    46    55   0.53150  1.0 3.0
   48    43    46    56   3.75450  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
   35    30    34    36  10.50000 -1.0 2.0
   40    58    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
   58    51    50    45   1.10000 -1.0 2.0
   50    62    58    37   4.00000 -1.0 2.0
   33    46    55    61   1.10000 -1.0 2.0
   64    65    61    55   1.10000 -1.0 2.0
   67    74    64    61   4.00000 -1.0 2.0
   68    38    67    64   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    64   4.00000 -1.0 2.0
   33    67    38    39  10.50000 -1.0 2.0
END
