* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    236     424
    1     0 S   NP   _N1_     1    28.68022    94.58512   -21.82084
    2     1 S   H    _HN1     2     1.02959    89.09107    24.87620
    3     1 S   H    _H1_     3     1.02836    28.92692   154.35627
    4     1 S   H    _H2_     4     1.02777    93.26984   -83.42838
    5     1 S   CT   _CA1     5     1.50140   139.47271   146.03669
    6     5 S   HC   _HA1     6     1.09577   105.21585    63.49713
    7     5 S   CO3  _C1_     7     1.53806   112.26582   -56.64901
    8     7 S   O2Z  _O11     8     1.26364   115.00274   -45.71675
    9     7 S   O2Z  _O12     9     1.26237   114.89497   133.20980
   10     5 S   CT   _CB1    10     1.53078   107.39612  -178.67707
   11    10 S   HC   HB11    11     1.09824   109.33379   -50.76068
   12    10 S   HC   HB12    12     1.09819   110.42880    65.78876
   13    10 S   CT   _CG1    13     1.53001   112.67070  -171.86870
   14    13 S   HC   HG11    14     1.09588   110.36645   -63.13967
   15    13 S   HC   HG12    15     1.09645   110.05231    56.05380
   16    13 S   C    _CD1    16     1.51839   112.25492   176.32896
   17    16 S   O    _OE1    17     1.22731   123.22825    -4.96980
   18    16 S   N    _N2_    18     1.38593   111.65652   175.41995
   19    18 S   H    _HN2    19     1.01584   118.99464     0.95961
   20    18 S   CT1  _CA2    20     1.46309   123.48686  -178.30696
   21    20 S   HC   _HA2    21     1.09727   109.42452    -7.12734
   22    20 S   C    _C2_    22     1.53421   108.48440  -122.90535
   23    22 S   O    _O2_    23     1.23022   122.25107  -146.10912
   24    20 S   CT   _CB2    32     1.53378   111.16734   114.80120
   25    24 S   HC   HB21    33     1.09594   109.51617    56.53672
   26    24 S   HC   HB22    34     1.09489   110.74175   175.40304
   27    22 S   N    _N3_    24     1.38519   113.43524    41.28379
   28    27 S   H    _HN3    25     1.01514   118.88616    -0.74651
   29    24 S   S    _SG2    35     1.82662   111.37234   -64.59954
   30    27 S   CT   _CA3    26     1.45442   123.50829   175.26174
   31    30 S   HC   HA31    27     1.09518   109.33304    22.89771
   32    30 S   HC   HA32    28     1.09500   107.10820   139.88683
   33    29 S   CT   _C13    36     1.83848    99.33339   156.36579
   34    33 S   HC   _H3_    37     1.09721   105.70024   -51.38446
   35    30 S   CO3  _C3_    29     1.52902   113.00769  -100.65642
   36    35 S   O2Z  _O31    30     1.26410   115.34715   -46.78865
   37    35 S   O2Z  _O32    31     1.26348   115.03148   134.15308
   38    33 S   CT   _C11    38     1.55716   117.26576    64.82920
   39    38 S   OM   _O16    39     1.32387   111.56761    51.99596
   40    38 S   HC   _H30    40     1.09920   106.61491   -80.56130
   41    38 S   C3T  _C15    41     1.52876    99.68613   167.67101
   42    41 S   C3T  _C8_    42     1.52788   120.08876   129.25328
   43    42 S   HC   _H26    43     1.08109   120.74679  -152.81399
   44    42 S   HC   _H27    44     1.08300   118.48087    -3.53291
   45    41 S   CT   _C14    46     1.55840   112.24947   -27.98491
   46    41 S   O3T  _O19    45     1.44481   115.84171  -165.40418
   47    45 S   CT   _C7_    47     1.55841   111.90539   127.29313
   48    47 S   HC   _H24    48     1.09717   109.08926    98.25422
   49    47 S   HC   _H25    49     1.09642   109.96128   -17.30335
   50    45 S   CT   _C18    70     1.55197   107.33947  -112.84475
   51    50 S   HC   _H36    71     1.09575   111.89348    52.16093
   52    50 S   HC   _H37    72     1.09692   110.88157   -66.47208
   53    50 S   HC   _H38    73     1.08619   113.31010   173.74988
   54    47 S   CT   _C12    50     1.53758   116.43254  -138.84713
   55    54 S   HC   _H31    51     1.09494   110.89480  -153.91411
   56    54 S   CT   _C10    52     1.52455   116.89567   -23.10466
   57    56 S   HC   _H29    53     1.10486   106.27671   176.80549
   58    56 S   CT   _C9_    54     1.53561    97.15295    66.93439
   59    58 S   HC   _H28    55     1.09548   110.71634   162.53951
   60    56 S   CM   _C6_    62     1.50800   120.07858   -66.77363
   61    58 S   CO4  _C4_    56     1.51734    96.96014    48.74256
   62    61 S   O    _O17    57     1.21986   126.95433   146.79049
   63    33 S   CT   _C16    59     1.57449   114.20915  -169.66460
   64    60 S   CM   _C5_    63     1.34341   122.94373   148.71252
   65    64 S   HC   _H22    64     1.08523   121.37684   177.82085
   66    64 S   HC   _H23    65     1.08406   122.03592    -1.53812
   67    60 S   CT   _C17    66     1.50509   116.79989   -36.22362
   68    67 S   HC   _H33    67     1.09496   110.25778   -53.66470
   69    67 S   HC   _H34    68     1.09402   110.77177    66.63148
   70    67 S   HC   _H35    69     1.09536   112.17535  -173.36948
   71    54 S   OS   _O18    58     1.44730   106.99528    89.50798
   72    63 S   OH   _O20    60     1.43734   108.34045   -50.39158
   73    72 S   HO   _H39    61     0.97577   107.10573   -41.64254
  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
  17   8   2   1   1  13   6   5  16   7   3   2  18   3  16   7
   6   7   3   2   1  12   6  16   8  10   6  10   4   2   3   6
   2   1   3   2   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    63    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    58    63    72  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    45    47    56    58    59    61    63    72    73    50  
   38    39    40    41    45    58    63    72  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    45    47    58    63    72    50  
   40    41    42    46    45    63  
   41    42    46    45    63  
   42    43    44    46    45    47    48    49    54    58    63    72    50    51    52    53  
   43    44    46    45    47    63    50  
   44    46    45  
   46    45  
   47    48    49    54    55    56    58    59    61    71    63    72    73    50    51    52    53    46  
   47    63    50  
   48    49    54    55    56    57    58    61    71    63    72    60    50    51    52    53  
   49    54    55    56    71    63    50  
   54    55    56    71    63    50  
   51    52    53    54    58    63    72  
   52    53    63  
   53    63  
   63  
   55    56    57    58    59    61    62    71    63    60    64    67  
   56    57    58    61    71    60  
   57    58    59    61    62    71    63    72    60    64    65    66    67    68    69    70  
   58    59    61    71    63    60    64    67  
   59    61    62    71    63    72    73    60    64    67  
   61    62    71    63    72    60  
   64    65    66    67    68    69    70    61    63    71  
   62    71    63    72  
   71    63  
   72    73    71  
   65    66    67    68    69    70  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
    0  
   73  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    63   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   275.000  1.510
   41    42   260.000  1.509
   41    46   335.000  1.432
   41    45   275.000  1.510
   42    43   340.000  1.088
   42    44   340.000  1.088
   42    46   335.000  1.432
   45    47   268.000  1.529
   45    63   268.000  1.529
   45    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    71   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   317.000  1.510
   58    59   340.000  1.090
   58    61   317.000  1.522
   58    63   268.000  1.529
   61    62   570.000  1.229
   61    71   214.000  1.327
   63    72   320.000  1.410
   72    73   553.000  0.945
   60    64   549.000  1.340
   60    67   317.000  1.510
   64    65   340.000  1.080
   64    66   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    63    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.37300
   33    63    45    58.35000  112.70000
   33    63    58    58.35000  112.70000
   33    63    72    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    60.00000  120.94000
   38    41    46    80.00000  116.47100
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    45.00000  109.38400
   41    42    43    37.50000  117.20000
   41    42    44    37.50000  117.20000
   41    42    46    15.00000   60.43100
   41    46    42    15.00000   59.14900
   41    45    47    70.00000  112.37300
   41    45    63    70.00000  112.37300
   41    45    50    70.00000  112.37300
   44    42    43    35.00000  114.30000
   46    41    42    15.00000   60.43100
   46    42    43    50.00000  114.27700
   46    42    44    50.00000  114.27700
   45    41    42    60.00000  120.94000
   45    41    46    80.00000  116.47100
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    54    58.35000  112.70000
   45    63    58    58.35000  112.70000
   45    63    72    50.00000  109.50000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    56    58.35000  112.70000
   47    54    71    50.00000  109.50000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    60    70.00000  112.02700
   54    71    61    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    61    63.00000  111.10000
   56    58    63    58.35000  112.70000
   56    60    64    70.00000  124.00000
   56    60    67    65.00000  117.92700
   58    56    57    37.50000  110.70000
   58    61    62    80.00000  120.40000
   58    61    71    81.00000  111.40000
   58    63    72    50.00000  109.50000
   61    58    59    35.00000  109.50000
   71    54    55    35.00000  109.50000
   71    54    56    50.00000  109.50000
   71    61    62    83.00000  123.40000
   63    33    34    37.50000  110.70000
   63    33    38    58.35000  112.70000
   63    45    47    58.35000  112.70000
   63    58    59    37.50000  110.70000
   63    58    61    63.00000  111.10000
   63    72    73    55.00000  108.50000
   60    56    57    35.00000  109.50000
   60    56    58    70.00000  112.02700
   60    64    65    35.00000  120.00000
   60    64    66    35.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   66    64    65    35.00000  117.00000
   67    60    64    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   50    45    47    58.35000  112.70000
   50    45    63    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  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
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    63    45   0.44750  1.0 1.0
   29    33    63    45  -0.17800 -1.0 2.0
   29    33    63    45   0.20200  1.0 3.0
   29    33    63    58   0.44750  1.0 1.0
   29    33    63    58  -0.17800 -1.0 2.0
   29    33    63    58   0.20200  1.0 3.0
   29    33    63    72   0.56750  1.0 1.0
   29    33    63    72  -0.07550 -1.0 2.0
   29    33    63    72   0.20000  1.0 3.0
   33    38    41    42   0.07850  1.0 1.0
   33    38    41    42  -0.03950 -1.0 2.0
   33    38    41    42   0.67350  1.0 3.0
   33    38    41    46   0.02550  1.0 1.0
   33    38    41    46  -0.02600 -1.0 2.0
   33    38    41    46   1.20400  1.0 3.0
   33    38   -41    45   0.56750  1.0 1.0
   33    38   -41    45  -0.07550 -1.0 2.0
   33    38   -41    45   0.20000  1.0 3.0
   33    63    72    73  -0.11600  1.0 1.0
   33    63    72    73  -0.09450 -1.0 2.0
   33    63    72    73   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    63    45   0.15000  1.0 3.0
   34    33    63    58   0.15000  1.0 3.0
   34    33    63    72   0.23400  1.0 3.0
   38    33   -63    45   0.56750  1.0 1.0
   38    33   -63    45  -0.07550 -1.0 2.0
   38    33   -63    45   0.20000  1.0 3.0
   38    33    63    58   0.56750  1.0 1.0
   38    33    63    58  -0.07550 -1.0 2.0
   38    33    63    58   0.20000  1.0 3.0
   38    33    63    72   0.86500  1.0 1.0
   38    33    63    72  -0.17500 -1.0 2.0
   38    33    63    72   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    44   0.15000  1.0 3.0
   38    41   -42    46   0.02550  1.0 1.0
   38    41   -42    46  -0.02600 -1.0 2.0
   38    41   -42    46   1.20400  1.0 3.0
   38    41   -46    42   0.06250  1.0 1.0
   38    41   -46    42  -0.01100 -1.0 2.0
   38    41   -46    42   0.28050  1.0 3.0
   38    41    45    47   0.56750  1.0 1.0
   38    41    45    47  -0.07550 -1.0 2.0
   38    41    45    47   0.20000  1.0 3.0
   38    41   -45    63   0.56750  1.0 1.0
   38    41   -45    63  -0.07550 -1.0 2.0
   38    41   -45    63   0.20000  1.0 3.0
   38    41    45    50   0.56750  1.0 1.0
   38    41    45    50  -0.07550 -1.0 2.0
   38    41    45    50   0.20000  1.0 3.0
   39    38    41    42  -0.26800  1.0 1.0
   39    38    41    42   0.69150 -1.0 2.0
   39    38    41    42  -0.48750  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    49   0.15000  1.0 3.0
   41    45    47    54   0.47050  1.0 1.0
   41    45    47    54   0.03900 -1.0 2.0
   41    45    47    54   0.20100  1.0 3.0
   41    45   -63    33   0.47050  1.0 1.0
   41    45   -63    33   0.03900 -1.0 2.0
   41    45   -63    33   0.20100  1.0 3.0
   41    45    63    58   0.47050  1.0 1.0
   41    45    63    58   0.03900 -1.0 2.0
   41    45    63    58   0.20100  1.0 3.0
   41    45    63    72   0.86500  1.0 1.0
   41    45    63    72  -0.17500 -1.0 2.0
   41    45    63    72   0.20800  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45    50    52   0.15000  1.0 3.0
   41    45    50    53   0.15000  1.0 3.0
   42    41    45    47   0.07850  1.0 1.0
   42    41    45    47  -0.03950 -1.0 2.0
   42    41    45    47   0.67350  1.0 3.0
   42    41    45    63   0.07850  1.0 1.0
   42    41    45    63  -0.03950 -1.0 2.0
   42    41    45    63   0.67350  1.0 3.0
   42    41    45    50   0.07850  1.0 1.0
   42    41    45    50  -0.03950 -1.0 2.0
   42    41    45    50   0.67350  1.0 3.0
   43    42   -46    41   0.36800  1.0 3.0
   44    42   -46    41   0.36800  1.0 3.0
   46    41   -42    43   0.23400  1.0 3.0
   46    41   -42    44   0.23400  1.0 3.0
   46    41    45    47   0.02550  1.0 1.0
   46    41    45    47  -0.02600 -1.0 2.0
   46    41    45    47   1.20400  1.0 3.0
   46    41    45    63   0.02550  1.0 1.0
   46    41    45    63  -0.02600 -1.0 2.0
   46    41    45    63   1.20400  1.0 3.0
   46    41    45    50   0.02550  1.0 1.0
   46    41    45    50  -0.02600 -1.0 2.0
   46    41    45    50   1.20400  1.0 3.0
   45    41    42    43   0.15000  1.0 3.0
   45    41    42    44   0.15000  1.0 3.0
   45    41   -42    46   0.02550  1.0 1.0
   45    41   -42    46  -0.02600 -1.0 2.0
   45    41   -42    46   1.20400  1.0 3.0
   45    41   -46    42   0.06250  1.0 1.0
   45    41   -46    42  -0.01100 -1.0 2.0
   45    41   -46    42   0.28050  1.0 3.0
   45    47    54    55   0.15000  1.0 3.0
   45    47    54    56   0.56750  1.0 1.0
   45    47    54    56  -0.07550 -1.0 2.0
   45    47    54    56   0.20000  1.0 3.0
   45    47    54    71   0.62750  1.0 1.0
   45    47    54    71  -0.30950 -1.0 2.0
   45    47    54    71   0.27300  1.0 3.0
   45    63    72    73  -0.11600  1.0 1.0
   45    63    72    73  -0.09450 -1.0 2.0
   45    63    72    73   0.21250  1.0 3.0
   47    45    63    33   0.56750  1.0 1.0
   47    45    63    33  -0.07550 -1.0 2.0
   47    45    63    33   0.20000  1.0 3.0
   47    45    63    58   0.56750  1.0 1.0
   47    45    63    58  -0.07550 -1.0 2.0
   47    45    63    58   0.20000  1.0 3.0
   47    45    63    72   0.86500  1.0 1.0
   47    45    63    72  -0.17500 -1.0 2.0
   47    45    63    72   0.20800  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   47    54    56    57   0.15000  1.0 3.0
   47    54   -56    58   0.56750  1.0 1.0
   47    54   -56    58  -0.07550 -1.0 2.0
   47    54   -56    58   0.20000  1.0 3.0
   47    54    56    60   0.34400  1.0 1.0
   47    54    56    60   0.09450 -1.0 2.0
   47    54    56    60   0.11100  1.0 3.0
   47    54    71    61  -0.25900  1.0 1.0
   47    54    71    61  -0.47000 -1.0 2.0
   47    54    71    61   0.11750  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    71   0.23400  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   49    47    54    71   0.23400  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56   -58    61  -0.95700  1.0 1.0
   54    56   -58    61  -0.18200 -1.0 2.0
   54    56   -58    61   0.29450  1.0 3.0
   54    56    58    63   0.56750  1.0 1.0
   54    56    58    63  -0.07550 -1.0 2.0
   54    56    58    63   0.20000  1.0 3.0
   54    56    60    64   0.09850  1.0 1.0
   54    56    60    64   0.15250 -1.0 2.0
   54    56    60    64  -0.50650  1.0 3.0
   54    56    60    67   0.46850  1.0 1.0
   54    56    60    67   0.08550 -1.0 2.0
   54    56    60    67   0.09800  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    71    61   0.08050  1.0 3.0
   56    54   -71    61  -0.25900  1.0 1.0
   56    54   -71    61  -0.47000 -1.0 2.0
   56    54   -71    61   0.11750  1.0 3.0
   56    58    61    62   0.30150 -1.0 2.0
   56    58   -61    71   0.36750  1.0 3.0
   56    58    63    33   0.56750  1.0 1.0
   56    58    63    33  -0.07550 -1.0 2.0
   56    58    63    33   0.20000  1.0 3.0
   56    58   -63    45   0.56750  1.0 1.0
   56    58   -63    45  -0.07550 -1.0 2.0
   56    58   -63    45   0.20000  1.0 3.0
   56    58    63    72   0.86500  1.0 1.0
   56    58    63    72  -0.17500 -1.0 2.0
   56    58    63    72   0.20800  1.0 3.0
   56    60    64    65   7.00000 -1.0 2.0
   56    60    64    66   7.00000 -1.0 2.0
   56    60    67    68   0.34800  1.0 3.0
   56    60    67    69   0.34800  1.0 3.0
   56    60    67    70   0.34800  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    61  -0.11250  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    60    64   0.00000  1.0 1.0
   57    56    60    67   0.34800  1.0 3.0
   58    56    60    64   0.09850  1.0 1.0
   58    56    60    64   0.15250 -1.0 2.0
   58    56    60    64  -0.50650  1.0 3.0
   58    56    60    67   0.46850  1.0 1.0
   58    56    60    67   0.08550 -1.0 2.0
   58    56    60    67   0.09800  1.0 3.0
   58    61   -71    54   1.63150  1.0 1.0
   58    61   -71    54   2.92000 -1.0 2.0
   58    63    72    73  -0.11600  1.0 1.0
   58    63    72    73  -0.09450 -1.0 2.0
   58    63    72    73   0.21250  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    71   0.00000  1.0 1.0
   59    58    63    33   0.15000  1.0 3.0
   59    58    63    45   0.15000  1.0 3.0
   59    58    63    72   0.23400  1.0 3.0
   61    58    63    33  -0.95700  1.0 1.0
   61    58    63    33  -0.18200 -1.0 2.0
   61    58    63    33   0.29450  1.0 3.0
   61    58    63    45  -0.95700  1.0 1.0
   61    58    63    45  -0.18200 -1.0 2.0
   61    58    63    45   0.29450  1.0 3.0
   61    58    63    72  -0.09450  1.0 1.0
   61    58    63    72  -1.12950 -1.0 2.0
   61    58    63    72   0.54000  1.0 3.0
   62    61    71    54   3.00000 -1.0 2.0
   71    54    56    57   0.23400  1.0 3.0
   71    54   -56    58   0.62750  1.0 1.0
   71    54   -56    58  -0.30950 -1.0 2.0
   71    54   -56    58   0.27300  1.0 3.0
   71    54    56    60   0.61850  1.0 1.0
   71    54    56    60  -0.22750 -1.0 2.0
   71    54    56    60   0.15300  1.0 3.0
   63    33    38    39   0.62750  1.0 1.0
   63    33    38    39  -0.30950 -1.0 2.0
   63    33    38    39   0.27300  1.0 3.0
   63    33    38    40   0.15000  1.0 3.0
   63    33   -38    41   0.47050  1.0 1.0
   63    33   -38    41   0.03900 -1.0 2.0
   63    33   -38    41   0.20100  1.0 3.0
   63    45    47    48   0.15000  1.0 3.0
   63    45    47    49   0.15000  1.0 3.0
   63    45   -47    54   0.56750  1.0 1.0
   63    45   -47    54  -0.07550 -1.0 2.0
   63    45   -47    54   0.20000  1.0 3.0
   63    45    50    51   0.15000  1.0 3.0
   63    45    50    52   0.15000  1.0 3.0
   63    45    50    53   0.15000  1.0 3.0
   63    58    61    62   0.30150 -1.0 2.0
   63    58    61    71   0.36750  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    61  -0.98800  1.0 1.0
   60    56    58    61   0.48800 -1.0 2.0
   60    56    58    61   0.76800  1.0 3.0
   60    56    58    63   0.34400  1.0 1.0
   60    56    58    63   0.09450 -1.0 2.0
   60    56    58    63   0.11100  1.0 3.0
   64    60    67    68   0.00000  1.0 1.0
   64    60    67    69   0.00000  1.0 1.0
   64    60    67    70   0.00000  1.0 1.0
   67    60    64    65   7.00000 -1.0 2.0
   67    60    64    66   7.00000 -1.0 2.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    54   0.56750  1.0 1.0
   50    45    47    54  -0.07550 -1.0 2.0
   50    45    47    54   0.20000  1.0 3.0
   50    45    63    33   0.56750  1.0 1.0
   50    45    63    33  -0.07550 -1.0 2.0
   50    45    63    33   0.20000  1.0 3.0
   50    45    63    58   0.56750  1.0 1.0
   50    45    63    58  -0.07550 -1.0 2.0
   50    45    63    58   0.20000  1.0 3.0
   50    45    63    72   0.86500  1.0 1.0
   50    45    63    72  -0.17500 -1.0 2.0
   50    45    63    72   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
   37    30    35    36  10.50000 -1.0 2.0
   58    71    61    62  10.50000 -1.0 2.0
   56    67    60    64  15.00000 -1.0 2.0
   65    66    64    60  15.00000 -1.0 2.0
END
