* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    213     411
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087   103.95396   -36.72627
    3     1 S   H    _H1_     3     1.02099    69.91874    68.44152
    4     1 S   H    _H2_     4     1.02144    43.30145  -139.21678
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C12    36     1.82226    98.19175  -178.13922
   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   _C4_    37     1.48552   109.76619   -80.01804
   38    33 S   OH   _O19    75     1.42001   111.13535    42.76668
   39    38 S   HO   _H39    76     0.97151   106.83278    57.76381
   40    37 S   CMA  _C5_    38     1.34713   113.11976  -105.87878
   41    40 S   OM   _O13    39     1.26309   128.15143   178.60030
   42    37 S   OS1  _O23    52     1.36918   119.63972    74.08853
   43    40 S   OS   _O14    40     1.42759   108.66371    -0.16786
   44    42 S   CO1  _C11    53     1.42668   114.81577    90.06603
   45    44 S   HC   _H30    54     1.11505   106.28515   -40.00878
   46    33 S   CT   _C10    41     1.53308   116.89483   169.40409
   47    46 S   HC   _H29    42     1.10047   109.81720  -154.27131
   48    44 S   CT   _C8_    55     1.52951   112.59479  -158.44406
   49    48 S   HC   _H27    56     1.09663   109.60880   168.11512
   50    46 S   CT   _C15    43     1.52226   117.24342   -31.87298
   51    50 S   HC   _H35    44     1.09607   110.46743    59.99461
   52    48 S   CT   _C6_    57     1.52730   111.71257   -71.61469
   53    52 S   HC   _H25    58     1.09494   111.37273    73.46307
   54    48 S   OH5  _O18    73     1.42356   110.29010    50.16514
   55    54 S   HO   _H38    74     0.96982   106.64424    56.79399
   56    50 S   CT   _C14    45     1.52337   111.42521   -62.81682
   57    56 S   HC   _H33    46     1.09510   111.22255   -60.03638
   58    56 S   HC   _H34    47     1.09383   111.14150    62.29267
   59    50 S   OH   _O22    50     1.42580   108.83526   177.72325
   60    59 S   HO   _H42    51     0.96957   106.50280   -59.97135
   61    52 S   CT   _C7_    59     1.53039   110.52792   -50.28317
   62    61 S   HC   _H26    60     1.09730   108.83124   -72.39430
   63    52 S   OH5  _O16    71     1.42850   109.11450  -169.24988
   64    63 S   HO   _H36    72     0.96947   106.38873    60.41913
   65    56 S   OH   _O21    48     1.42354   108.89050  -178.74977
   66    65 S   HO   _H41    49     0.97036   106.60810   179.93439
   67    61 S   CT   _C9_    61     1.53488   111.22824    49.74197
   68    67 S   HC   _H28    62     1.09848   110.21698    67.00063
   69    61 S   OH5  _O17    69     1.42607   108.03830   170.94099
   70    69 S   HO   _H37    70     0.97004   106.49911   -60.00460
   71    44 S   OS1  _O15    63     1.42866   112.26118    76.15943
   72    67 S   CT   _C13    64     1.52551   112.07312  -173.58262
   73    72 S   HC   _H31    65     1.09010   109.95844   -59.96258
   74    72 S   HC   _H32    66     1.09009   109.95251   179.05395
   75    72 S   OH5  _O20    67     1.41590   108.52621    59.50393
   76    75 S   HO   _H40    68     0.97326   107.09979   180.00000
  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
  14   2   1   1  13   7   1   7   3  10   6  13   6   9   4  12
   7   8   6  13   7   4   1   6   4   3   2   1  12   7   3   1
   1   1   9   6   3   1   4   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    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    43    46    47    50    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    43    46    47    50    51    56    59    42    44    38    39  
   35    36  
   36  
    0  
   40    41    43    46    47    50    42    44    45    48    71    38    39  
   39    40    42    43    46    47    50  
   46  
   41    43    46    47    50    42    44  
   43    46    42  
   44    45    48    49    52    67    71    54    43    46  
   46    47    50    51    56    59  
   45    48    49    52    53    61    67    68    71    72    63    54    55  
   48    49    52    67    71    54  
   47    50    51    56    57    58    65    59    60  
   50    51    56    59  
   49    52    53    61    62    67    71    69    63    64    54    55  
   52    53    61    71    63    54    55  
   51    56    57    58    65    66    59    60  
   56    57    58    65    59    60  
   53    61    62    67    68    71    72    69    70    63    64    54    55  
   61    62    67    69    63    64    54  
   55    61    63    71  
    0  
   57    58    65    66    59    60  
   58    65    66    59  
   65    66    59  
   60    65  
    0  
   62    67    68    71    72    73    74    75    69    70    63    64  
   67    68    71    72    69    70    63  
   64    67    69  
    0  
   66  
    0  
   68    71    72    73    74    75    76    69    70  
   71    72    73    74    75    69  
   70    71    72  
    0  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.432500   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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   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    46   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   440.000  1.360
   40    41   745.000  1.250
   40    43   440.000  1.360
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    65   320.000  1.410
   65    66   553.000  0.945
   59    60   553.000  0.945
   42    44   370.000  1.399
   44    45   360.000  1.097
   44    48   255.000  1.525
   44    71   370.000  1.399
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   355.000  1.421
   52    53   340.000  1.090
   52    61   268.000  1.529
   52    63   355.000  1.421
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   355.000  1.421
   67    68   340.000  1.090
   67    71   335.000  1.422
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   355.000  1.421
   75    76   580.000  0.967
   69    70   580.000  0.967
   63    64   580.000  0.967
   54    55   580.000  0.967
   38    39   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    46    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    85.00000  112.85300
   33    46    43    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    50    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    43    80.00000  120.01400
   37    42    44    90.00000  111.18400
   40    43    46    90.00000  111.18400
   43    40    41    65.00000  121.00000
   43    46    47    35.00000  109.50000
   43    46    50    50.00000  109.50000
   46    33    37    70.00000  112.02700
   46    50    51    37.50000  110.70000
   46    50    56    58.35000  112.70000
   46    50    59    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    65    50.00000  109.50000
   50    59    60    55.00000  108.50000
   56    50    51    37.50000  110.70000
   56    65    66    55.00000  108.50000
   58    56    57    33.00000  107.80000
   65    56    57    35.00000  109.50000
   65    56    58    35.00000  109.50000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   42    37    40    80.00000  120.01400
   42    44    45    60.00000  105.75400
   42    44    48    90.00000  109.70700
   42    44    71   110.00000  113.16000
   44    48    49    45.00000  109.54000
   44    48    52    70.00000  111.10000
   44    48    54    90.00000  109.42000
   44    71    67    90.00000  112.10700
   48    44    45    45.00000  111.65000
   48    52    53    37.50000  110.70000
   48    52    61    58.35000  112.70000
   48    52    63    90.00000  111.45300
   48    54    55    65.00000  108.53500
   52    48    49    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    67    58.35000  112.70000
   52    61    69    90.00000  111.45300
   52    63    64    65.00000  108.53500
   61    52    53    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    71    95.00000  107.88500
   61    67    72    58.35000  112.70000
   61    69    70    65.00000  108.53500
   67    61    62    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    90.00000  111.45300
   71    44    45    60.00000  105.75400
   71    44    48    90.00000  109.70700
   71    67    68    55.00000  108.98800
   72    67    68    37.50000  110.70000
   72    67    71    95.00000  107.88500
   72    75    76    65.00000  108.53500
   74    72    73    33.00000  107.80000
   75    72    73    60.00000  109.39000
   75    72    74    60.00000  109.39000
   69    61    62    60.00000  109.39000
   69    61    67    90.00000  111.45300
   63    52    53    60.00000  109.39000
   63    52    61    90.00000  111.45300
   54    48    49    60.00000  109.39000
   54    48    52    90.00000  111.45300
   38    33    37    90.00000  110.39200
   38    33    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  -0.62250  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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    50   0.44750  1.0 1.0
   29    33    46    50  -0.17800 -1.0 2.0
   29    33    46    50   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    43   7.00000 -1.0 2.0
   33    37    42    44   2.00000 -1.0 2.0
   33    46    50    51   0.15000  1.0 3.0
   33    46    50    56   0.56750  1.0 1.0
   33    46    50    56  -0.07550 -1.0 2.0
   33    46    50    56   0.20000  1.0 3.0
   33    46    50    59   0.86500  1.0 1.0
   33    46    50    59  -0.17500 -1.0 2.0
   33    46    50    59   0.20800  1.0 3.0
   37    33   -46    43   0.61850  1.0 1.0
   37    33   -46    43  -0.22750 -1.0 2.0
   37    33   -46    43   0.15300  1.0 3.0
   37    33    46    47   0.15000  1.0 3.0
   37    33    46    50   0.34400  1.0 1.0
   37    33    46    50   0.09450 -1.0 2.0
   37    33    46    50   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -43    46  -2.26850  1.0 1.0
   37    40   -43    46   3.39050 -1.0 2.0
   37    42    44    45   0.08050  1.0 3.0
   37    42    44    48  -0.46850  1.0 1.0
   37    42    44    48   0.09300 -1.0 2.0
   37    42    44    48  -0.12850  1.0 3.0
   37    42    44    71  -0.48150  1.0 1.0
   37    42    44    71   0.09250 -1.0 2.0
   37    42    44    71  -0.12850  1.0 3.0
   40    37    42    44  -2.26850  1.0 1.0
   40    37    42    44   3.39050 -1.0 2.0
   40    43   -46    33  -0.46850  1.0 1.0
   40    43   -46    33   0.09300 -1.0 2.0
   40    43   -46    33  -0.12850  1.0 3.0
   40    43    46    47   0.08050  1.0 3.0
   40    43    46    50  -0.46850  1.0 1.0
   40    43    46    50   0.09300 -1.0 2.0
   40    43    46    50  -0.12850  1.0 3.0
   41    40    43    46   2.00000 -1.0 2.0
   43    46    50    51   0.23400  1.0 3.0
   43    46    50    56   0.62750  1.0 1.0
   43    46    50    56  -0.30950 -1.0 2.0
   43    46    50    56   0.27300  1.0 3.0
   43    46    50    59   3.69350  1.0 1.0
   43    46    50    59  -1.82950 -1.0 2.0
   46    33   -37    40   0.09850  1.0 1.0
   46    33   -37    40   0.15250 -1.0 2.0
   46    33   -37    40  -0.50650  1.0 3.0
   46    33    37    42   0.09700  1.0 1.0
   46    33    37    42   0.15600 -1.0 2.0
   46    33    37    42  -0.50800  1.0 3.0
   46    33    38    39  -0.11600  1.0 1.0
   46    33    38    39  -0.09450 -1.0 2.0
   46    33    38    39   0.21250  1.0 3.0
   46    50    56    57   0.15000  1.0 3.0
   46    50    56    58   0.15000  1.0 3.0
   46    50    56    65   0.86500  1.0 1.0
   46    50    56    65  -0.17500 -1.0 2.0
   46    50    56    65   0.20800  1.0 3.0
   46    50    59    60  -0.11600  1.0 1.0
   46    50    59    60  -0.09450 -1.0 2.0
   46    50    59    60   0.21250  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    56   0.15000  1.0 3.0
   47    46    50    59   0.23400  1.0 3.0
   50    56    65    66  -0.11600  1.0 1.0
   50    56    65    66  -0.09450 -1.0 2.0
   50    56    65    66   0.21250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    65   0.23400  1.0 3.0
   51    50    59    60   0.19450  1.0 3.0
   56    50    59    60  -0.11600  1.0 1.0
   56    50    59    60  -0.09450 -1.0 2.0
   56    50    59    60   0.21250  1.0 3.0
   57    56    65    66   0.19450  1.0 3.0
   58    56    65    66   0.19450  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    65   3.75450  1.0 1.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    43   7.00000 -1.0 2.0
   42    44    48    49   0.23400  1.0 3.0
   42    44    48    52   0.62750  1.0 1.0
   42    44    48    52  -0.30950 -1.0 2.0
   42    44    48    52   0.27300  1.0 3.0
   42    44    48    54   1.51850  1.0 1.0
   42    44    71    67  -0.70400  1.0 1.0
   42    44    71    67  -0.90350 -1.0 2.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    61   0.56750  1.0 1.0
   44    48    52    61  -0.07550 -1.0 2.0
   44    48    52    61   0.20000  1.0 3.0
   44    48    52    63  -0.47750  1.0 1.0
   44    48    54    55   0.29150  1.0 1.0
   44    48    54    55  -0.28350 -1.0 2.0
   44    48    54    55   0.43600  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    54   0.23400  1.0 3.0
   45    44    71    67   0.37050  1.0 3.0
   48    44    71    67   0.06250  1.0 1.0
   48    44    71    67  -0.01100 -1.0 2.0
   48    44    71    67   0.28050  1.0 3.0
   48    52    61    62   0.15000  1.0 3.0
   48    52   -61    67   0.56750  1.0 1.0
   48    52   -61    67  -0.07550 -1.0 2.0
   48    52   -61    67   0.20000  1.0 3.0
   48    52    61    69  -0.47750  1.0 1.0
   48    52    63    64   0.29150  1.0 1.0
   48    52    63    64  -0.28350 -1.0 2.0
   48    52    63    64   0.43600  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    61   0.15000  1.0 3.0
   49    48    52    63   0.23400  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   52    48    54    55   0.29150  1.0 1.0
   52    48    54    55  -0.28350 -1.0 2.0
   52    48    54    55   0.43600  1.0 3.0
   52    61    67    68   0.15000  1.0 3.0
   52    61    67    71   0.62750  1.0 1.0
   52    61    67    71  -0.30950 -1.0 2.0
   52    61    67    71   0.27300  1.0 3.0
   52    61    67    72   0.56750  1.0 1.0
   52    61    67    72  -0.07550 -1.0 2.0
   52    61    67    72   0.20000  1.0 3.0
   52    61    69    70   0.29150  1.0 1.0
   52    61    69    70  -0.28350 -1.0 2.0
   52    61    69    70   0.43600  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    67   0.15000  1.0 3.0
   53    52    61    69   0.23400  1.0 3.0
   53    52    63    64   0.19450  1.0 3.0
   61    52    63    64   0.29150  1.0 1.0
   61    52    63    64  -0.28350 -1.0 2.0
   61    52    63    64   0.43600  1.0 3.0
   61    67   -71    44   0.06250  1.0 1.0
   61    67   -71    44  -0.01100 -1.0 2.0
   61    67   -71    44   0.28050  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67    72    74   0.15000  1.0 3.0
   61    67    72    75  -0.47750  1.0 1.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    71   0.23400  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   62    61    69    70   0.19450  1.0 3.0
   67    61    69    70   0.29150  1.0 1.0
   67    61    69    70  -0.28350 -1.0 2.0
   67    61    69    70   0.43600  1.0 3.0
   67    72    75    76   0.29150  1.0 1.0
   67    72    75    76  -0.28350 -1.0 2.0
   67    72    75    76   0.43600  1.0 3.0
   68    67    71    44   0.37050  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.23400  1.0 3.0
   71    44    48    49   0.23400  1.0 3.0
   71    44   -48    52   0.62750  1.0 1.0
   71    44   -48    52  -0.30950 -1.0 2.0
   71    44   -48    52   0.27300  1.0 3.0
   71    44    48    54   1.51850  1.0 1.0
   71    67    72    73   0.23400  1.0 3.0
   71    67    72    74   0.23400  1.0 3.0
   71    67    72    75   1.51850  1.0 1.0
   72    67    71    44   0.06250  1.0 1.0
   72    67    71    44  -0.01100 -1.0 2.0
   72    67    71    44   0.28050  1.0 3.0
   73    72    75    76   0.19450  1.0 3.0
   74    72    75    76   0.19450  1.0 3.0
   69    61    67    68   0.23400  1.0 3.0
   69    61    67    71   1.51850  1.0 1.0
   69    61    67    72  -0.47750  1.0 1.0
   63    52    61    62   0.23400  1.0 3.0
   63    52    61    67  -0.47750  1.0 1.0
   63    52    61    69   3.77950  1.0 1.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    61  -0.47750  1.0 1.0
   54    48    52    63   3.77950  1.0 1.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    46    43   3.69350  1.0 1.0
   38    33    46    43  -1.82950 -1.0 2.0
   38    33    46    47   0.23400  1.0 3.0
   38    33    46    50   0.86500  1.0 1.0
   38    33    46    50  -0.17500 -1.0 2.0
   38    33    46    50   0.20800  1.0 3.0
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    42    37    40   1.10000 -1.0 2.0
   41    43    40    37   1.10000 -1.0 2.0
END
