* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    140    224     420
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02076   103.36827    10.35982
    3     1 S   H    _H1_     3     1.02102    42.12043   113.66467
    4     1 S   H    _H2_     4     1.02118    71.38219   -95.18078
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.84038    98.16361   161.76565
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CM   _C8_    37     1.51025   108.77947    40.01324
   38    37 S   HC   _H8_    38     1.08448   117.78608    38.58101
   39    33 S   CT   _C6_    48     1.53512   107.85841   158.78945
   40    39 S   HC   _H4_    49     1.09392   108.48270    61.66639
   41    39 S   HC   _H5_    50     1.09330   107.87448   177.45855
   42    37 S   CM   _C7_    39     1.33887   124.40915  -141.39598
   43    42 S   HC   _H7_    40     1.08351   121.47883   175.75001
   44    39 S   CT1  _C4_    51     1.52598   112.11811   -61.05214
   45    44 S   HC   _H3_    52     1.09527   110.43196    41.40934
   46    42 S   CO4  _C9_    41     1.47369   120.31565    -1.79275
   47    46 S   O    _O3_    42     1.22131   123.07568  -176.19883
   48    44 S   NI   _N4_    53     1.46672   109.69764   -79.77482
   49    44 S   C    _C5_    77     1.51532   111.66753   161.38672
   50    49 S   O    _O1_    78     1.22330   124.94114   118.51117
   51    46 S   CO4  _C11    43     1.50344   117.94485     2.92724
   52    51 S   O    _O4_    44     1.22136   118.77513  -161.61947
   53    48 S   CD   _C13    54     1.28533   113.84793   151.60312
   54    53 S   HC   _H10    55     1.10526   122.31042   179.70261
   55    49 S   OH   _O33    79     1.35909   112.30668   -63.80636
   56    55 S   HO   _H6_    80     0.98162   114.43244  -177.73730
   57    33 S   CT   _C16    45     1.53640   107.26569   -81.48013
   58    57 S   HC   _H13    46     1.09219   111.82315    41.73393
   59    57 S   HC   _H14    47     1.09398   110.64005   -77.84208
   60    53 S   CM   _C12    56     1.47549   121.57991    -0.07133
   61    60 S   HC   _H9_    57     1.08308   119.01258    59.81422
   62    60 S   CM   _C10    58     1.34118   119.14278  -120.30252
   63    62 S   CT   _C15    59     1.51758   122.16080     1.18399
   64    63 S   HC   _H11    60     1.09329   107.30897   -24.76490
   65    63 S   HC   _H12    61     1.09084   111.01741    92.40466
   66    63 S   CT1  _C17    62     1.53804   112.40942  -143.47478
   67    66 S   HC   _H15    63     1.08531   110.22967    75.08830
   68    66 S   NE   _N5_    64     1.45342   109.83448   -46.53043
   69    68 S   H    _H17    65     1.00744   119.41090  -135.47734
   70    66 S   C    _C14    73     1.49336   110.76785  -165.80058
   71    70 S   O    _O5_    74     1.22247   125.05548   119.43119
   72    68 S   CM   _C19    66     1.37458   121.48297    34.29572
   73    70 S   OH   _O6_    75     1.35521   110.68507   -60.49312
   74    73 S   HO   _H16    76     0.98089   111.92152   179.87333
   75    62 S   CM   _C21    67     1.45800   121.80135  -179.93439
   76    75 S   HC   _H18    68     1.08502   118.29751   -12.33448
   77    72 S   C    _C20    69     1.46427   118.45488   168.94809
   78    77 S   O    _O7_    70     1.21775   124.50624  -178.65827
   79    77 S   OH   _O8_    71     1.34949   109.58924     1.26918
   80    79 S   HO   _H19    72     0.98135   111.99939   179.97202
  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  12   5   4   3
  17   2   1   1  13   5  14   6   5   6   3  10   5   6   3   8
   4   2   4   3   6   3   1   1   2   1   1   9   3  11  12   6
   5  10   6  10   4   4   2   6   1   1   4   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    51    57    58    59    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    51    52    57    58    59    39    40    41    44    45    48    49  
   35    36  
   36  
    0  
   38    42    43    46    47    51    57    58    59    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    53    49    50    55    42    51    57    58    59  
   41    44    45    48    49    57  
   44    45    48    49    57  
   43    46    47    51    52    57  
   46    47    51  
   45    48    53    54    60    49    50    55    56    57  
   48    53    49    50    55  
   47    51    52    57    58    59  
   51    52    57  
   53    54    60    61    62    49    50    55  
   50    55    56    53  
   55    56  
   52    57    58    59  
   57    58    59  
   54    60    61    62    63    75  
   60    61    62  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    64    65    66    72    75    76  
   62    63    75  
   63    64    65    66    67    68    72    75    76    77    70  
   64    65    66    67    68    69    72    75    76    70    71    73  
   65    66    67    68    75    70  
   66    67    68    75    70  
   67    68    69    72    75    77    70    71    73    74  
   68    69    72    70    71    73  
   69    72    75    76    77    78    79    70    71    73  
   72    75    77    70  
   71    73    74    72  
   73    74  
   75    76    77    78    79    80  
   74  
    0  
   76    77    78    79  
   77  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   49   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.7500   0.1050   0.352800   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   69   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   72   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   79   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.450000   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  1.510
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    51   250.000  1.523
   51    52   570.000  1.229
   51    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   315.000  1.431
   44    49   317.000  1.522
   48    53   500.000  1.261
   53    54   370.000  1.093
   53    60   320.000  1.464
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   317.000  1.510
   62    75   380.000  1.444
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   382.000  1.448
   66    70   317.000  1.522
   68    69   434.000  1.010
   68    72   425.000  1.378
   72    75   549.000  1.340
   72    77   410.000  1.444
   75    76   340.000  1.080
   77    78   570.000  1.229
   77    79   450.000  1.364
   79    80   553.000  0.945
   70    71   570.000  1.229
   70    73   450.000  1.364
   73    74   553.000  0.945
   49    50   570.000  1.229
   49    55   450.000  1.364
   55    56   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    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    51    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    51    65.00000  116.00000
   46    42    43    40.00000  117.72500
   46    51    52    80.00000  119.30300
   46    51    57    65.00000  115.45000
   51    46    47    80.00000  119.30300
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   57    51    52    80.00000  120.40000
   59    57    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    57    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  110.18800
   39    44    49    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    53    75.00000  114.96100
   44    49    50    80.00000  120.40000
   44    49    55    80.00000  116.87500
   48    44    45    45.00000  110.38000
   48    53    54    45.00000  120.55300
   48    53    60    70.00000  121.86000
   53    60    61    40.00000  114.85300
   53    60    62    60.00000  120.31500
   60    53    54    40.00000  113.81000
   60    62    63    70.00000  124.00000
   60    62    75    70.00000  123.01800
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    66    70.00000  112.02700
   62    75    72    70.00000  123.01800
   62    75    76    35.00000  120.00000
   63    66    67    37.50000  110.70000
   63    66    68    80.00000  111.61500
   63    66    70    63.00000  111.10000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    35.00000  112.50000
   66    68    72    50.00000  121.00000
   66    70    71    80.00000  120.40000
   66    70    73    80.00000  116.87500
   68    66    67    35.00000  109.50000
   68    72    75    70.00000  124.03900
   68    72    77    70.00000  117.92000
   72    68    69    35.00000  114.50000
   72    75    76    35.00000  120.00000
   72    77    78    80.00000  125.30000
   72    77    79    90.00000  111.55000
   75    62    63    70.00000  124.00000
   77    72    75    70.00000  118.70000
   77    79    80    35.00000  113.00000
   79    77    78   100.00000  123.32000
   70    66    67    35.00000  109.50000
   70    66    68    70.00000  113.51500
   70    73    74    35.00000  113.00000
   73    70    71   100.00000  123.32000
   49    44    45    35.00000  109.50000
   49    44    48    80.00000  108.92000
   49    55    56    35.00000  113.00000
   55    49    50   100.00000  123.32000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    51   0.56750  1.0 1.0
   29    33    57    51  -0.07550 -1.0 2.0
   29    33    57    51   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    49  -0.84850  1.0 1.0
   33    39    44    49  -0.22800 -1.0 2.0
   33    39    44    49   0.29250  1.0 3.0
   37    33    57    51  -0.98800  1.0 1.0
   37    33    57    51   0.48800 -1.0 2.0
   37    33    57    51   0.76800  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    51   0.50400  1.0 1.0
   37    42   -46    51   1.60000 -1.0 2.0
   37    42   -46    51  -0.01800  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    51    52   0.03000  1.0 1.0
   42    46    51    52   0.58800 -1.0 2.0
   42    46    51    52   0.15550  1.0 3.0
   42    46    51    57   0.43900  1.0 1.0
   42    46    51    57  -0.18150 -1.0 2.0
   42    46    51    57  -0.03650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    51   0.92800 -1.0 2.0
   46    51   -57    33   0.65300  1.0 1.0
   46    51   -57    33  -0.03850 -1.0 2.0
   46    51   -57    33   0.33900  1.0 3.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    59   0.00000  1.0 1.0
   47    46    51    52   0.06100 -1.0 2.0
   47    46    51    57   0.49600 -1.0 2.0
   52    51    57    33   0.30150 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42   0.09850  1.0 1.0
   57    33   -37    42   0.15250 -1.0 2.0
   57    33   -37    42  -0.50650  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.56750  1.0 1.0
   57    33    39    44  -0.07550 -1.0 2.0
   57    33    39    44   0.20000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    51  -0.95700  1.0 1.0
   39    33    57    51  -0.18200 -1.0 2.0
   39    33    57    51   0.29450  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    59   0.15000  1.0 3.0
   39    44    48    53  -0.12500  1.0 1.0
   39    44    48    53  -0.12500 -1.0 2.0
   39    44    48    53   0.25000  1.0 3.0
   39    44    49    50   0.00000  1.0 1.0
   39    44    49    55   0.50000  1.0 1.0
   39    44    49    55   0.27300 -1.0 2.0
   39    44    49    55   0.22500  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    49  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    49  -0.03800  1.0 3.0
   44    48    53    54  -0.02700  1.0 1.0
   44    48    53    54   5.27600 -1.0 2.0
   44    48    53    60   6.00000 -1.0 2.0
   44    49    55    56   1.50000  1.0 1.0
   44    49    55    56   2.45000 -1.0 2.0
   45    44    48    53  -0.15000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    55   0.00000  1.0 1.0
   48    44    49    50   0.30150 -1.0 2.0
   48    44    49    55   0.40000  1.0 3.0
   48    53    60    61   1.00600 -1.0 2.0
   48    53    60    62   1.09650  1.0 1.0
   48    53    60    62   0.48950 -1.0 2.0
   48    53    60    62   0.49400  1.0 3.0
   53    60    62    63   7.00000 -1.0 2.0
   53    60    62    75   7.00000 -1.0 2.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   1.36050 -1.0 2.0
   60    62    63    64   0.00000  1.0 1.0
   60    62    63    65   0.00000  1.0 1.0
   60    62    63    66   0.09850  1.0 1.0
   60    62    63    66   0.15250 -1.0 2.0
   60    62    63    66  -0.50650  1.0 3.0
   60    62    75    72   0.28850  1.0 1.0
   60    62    75    72   2.61350 -1.0 2.0
   60    62    75    72   0.78400  1.0 3.0
   60    62    75    76  -0.18600  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    75   7.00000 -1.0 2.0
   62    63    66    67   0.15000  1.0 3.0
   62    63    66    68   0.21700  1.0 1.0
   62    63    66    68   0.68550 -1.0 2.0
   62    63    66    68  -0.27950  1.0 3.0
   62    63    66    70  -0.98800  1.0 1.0
   62    63    66    70   0.48800 -1.0 2.0
   62    63    66    70   0.76800  1.0 3.0
   63    62    75    72  -0.18600  1.0 3.0
   63    62    75    76   0.00000  1.0 1.0
   63    66    68    69   0.00000  1.0 1.0
   63    66   -68    72   0.25450  1.0 1.0
   63    66   -68    72  -0.61700 -1.0 2.0
   63    66   -68    72  -0.23550  1.0 3.0
   63    66    70    71   0.00000  1.0 1.0
   63    66    70    73   0.50000  1.0 1.0
   63    66    70    73   0.27300 -1.0 2.0
   63    66    70    73   0.22500  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.22950  1.0 3.0
   64    63    66    70  -0.03800  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.22950  1.0 3.0
   65    63    66    70  -0.03800  1.0 3.0
   66    68    72    75  -0.54700  1.0 1.0
   66    68    72    75   1.23000 -1.0 2.0
   66    68    72    77   1.00000 -1.0 2.0
   66    70    73    74   1.50000  1.0 1.0
   66    70    73    74   2.45000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    72   0.00000  1.0 1.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    73   0.40000  1.0 3.0
   68    72   -75    62   7.00000 -1.0 2.0
   68    72    75    76   7.00000 -1.0 2.0
   68    72    77    78  -0.52200  1.0 1.0
   68    72    77    78   0.82950 -1.0 2.0
   68    72    77    79   1.50000 -1.0 2.0
   69    68    72    75   1.00000 -1.0 2.0
   69    68    72    77   1.00000 -1.0 2.0
   72    77    79    80   1.22000  1.0 1.0
   72    77    79    80   0.17300 -1.0 2.0
   75    62    63    64   0.00000  1.0 1.0
   75    62    63    65   0.00000  1.0 1.0
   75    62   -63    66   0.98200  1.0 1.0
   75    62   -63    66  -0.11900 -1.0 2.0
   75    62   -63    66   0.24250  1.0 3.0
   75    72    77    78   1.00000 -1.0 2.0
   75    72    77    79  -0.01000  1.0 1.0
   75    72    77    79   1.29850 -1.0 2.0
   75    72    77    79  -0.09550  1.0 3.0
   77    72    75    62   7.00000 -1.0 2.0
   77    72    75    76   7.00000 -1.0 2.0
   78    77    79    80   0.92200  1.0 1.0
   78    77    79    80   3.74100 -1.0 2.0
   70    66    68    69   0.00000  1.0 1.0
   70    66    68    72  -0.12500  1.0 1.0
   70    66    68    72  -0.12500 -1.0 2.0
   70    66    68    72   0.25000  1.0 3.0
   71    70    73    74   0.92200  1.0 1.0
   71    70    73    74   3.74100 -1.0 2.0
   49    44    48    53  -0.12500  1.0 1.0
   49    44    48    53  -0.12500 -1.0 2.0
   49    44    48    53   0.25000  1.0 3.0
   50    49    55    56   0.92200  1.0 1.0
   50    49    55    56   3.74100 -1.0 2.0
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
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    51    46    47  10.50000 -1.0 2.0
   46    57    51    52  10.50000 -1.0 2.0
   60    54    53    48  10.50000 -1.0 2.0
   53    61    60    62   1.10000 -1.0 2.0
   63    75    62    60   1.10000 -1.0 2.0
   69    72    68    66   1.00000 -1.0 2.0
   68    77    72    75   1.10000 -1.0 2.0
   62    76    75    72   1.10000 -1.0 2.0
   72    79    77    78  10.50000 -1.0 2.0
   66    73    70    71  10.50000 -1.0 2.0
   44    55    49    50  10.50000 -1.0 2.0
END
