* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    135    205     397
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02098   106.60543   -13.14713
    3     1 S   H    _H1_     3     1.02121    55.33407    88.39075
    4     1 S   H    _H2_     4     1.02135    56.78577  -114.90233
    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   CTL  _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   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   S    _S19    36     2.05474   101.75006   -80.00562
   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   CT   _C12    37     1.82287   101.33884   -90.01609
   38    37 S   HC   _H33    38     1.09570   106.09939    40.35690
   39    37 S   HC   _H34    39     1.09330   108.44583   155.49204
   40    37 S   CT   _C14    40     1.53810   114.58273   -79.98820
   41    40 S   HC   _H36    41     1.09847   106.45441    35.70467
   42    40 S   CT   _C13    42     1.55072   115.94170   158.74301
   43    42 S   SM   _S16    43     1.85878   108.68332    60.91724
   44    42 S   HC   _H35    44     1.09648   109.41605   -59.39919
   45    40 S   OH   _O14    71     1.43386   107.00442   -77.93201
   46    45 S   HO   _H38    72     0.96735   106.02483    60.03194
   47    42 S   CT   _C10    45     1.53254   112.93114   178.97894
   48    47 S   HC   _H29    46     1.09618   108.38809   -78.84637
   49    47 S   CT   _C5_    47     1.52405   111.49113    41.88845
   50    49 S   HC   _H22    48     1.09466   113.65406   -35.11924
   51    49 S   HC   _H23    49     1.09758   109.86658  -155.65105
   52    49 S   CT   _C4_    50     1.52407   104.69020    87.35881
   53    52 S   HC   _H20    51     1.09498   110.52096   141.79979
   54    52 S   HC   _H21    52     1.09581   109.90268   -99.39074
   55    52 S   CT   _C7_    53     1.53473   105.34803    18.80443
   56    55 S   HC   _H26    54     1.09752   108.47859  -112.25932
   57    55 S   CT   _C9_    55     1.52234   111.65985   127.55340
   58    57 S   HC   _H28    56     1.09258   109.01892   159.99139
   59    47 S   NT   _N12    66     1.46930   116.07977   156.77426
   60    57 S   CT   _C8_    57     1.53562   113.69578   -77.79570
   61    60 S   HC   _H27    58     1.09622   109.45925   -70.47419
   62    59 S   CT   _C11    67     1.45556   114.74996    48.81167
   63    62 S   HC   _H30    68     1.09322   110.07712    55.93219
   64    62 S   HC   _H31    69     1.09372   110.22217   -64.05819
   65    62 S   HC   _H32    70     1.09276   110.21585   175.90677
   66    60 S   CT   _C6_    59     1.52827   109.99827   169.61859
   67    66 S   HC   _H24    60     1.09463   110.93121    71.34178
   68    66 S   HC   _H25    61     1.09444   111.85064  -166.84588
   69    60 S   OH   _O13    64     1.42678   111.33822    46.97741
   70    69 S   HO   _H37    65     0.96906   106.44997  -177.55535
   71    66 S   S    _S17    62     1.81559   107.67733   -47.08621
   72    57 S   S    _S18    63     1.82172   110.20484    42.31408
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4  10   6  13   6   5   2   1  15   7
  10   6   5  10   5   4  14   6  12   7   6   8   7   3   2   1
   1   6   4   3   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    47    45    46  
   39    40    41    42    45  
   40    41    42    45  
   41    42    43    44    47    48    49    59    45    46  
   42    43    44    47    45    46  
   43    44    47    48    49    50    51    52    55    59    62    45    46  
   44    47    48    49    59    45  
   47    48    49    59    45  
   46    47  
    0  
   48    49    50    51    52    53    54    55    56    57    59    62    63    64    65  
   49    50    51    52    55    59    62  
   50    51    52    53    54    55    56    57    59    62  
   51    52    53    54    55    59  
   52    53    54    55    59  
   53    54    55    56    57    58    60    72    59    62  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    60    61    66    71    72    69    59    62    63    64    65  
   57    58    60    72    59    62  
   58    60    61    66    67    68    71    72    69    70    59    62  
   60    61    66    71    72    69    59  
   62    63    64    65    60    72  
   61    66    67    68    71    72    69    70  
   66    67    68    71    72    69    70  
   63    64    65  
   64    65  
   65  
    0  
   67    68    71    72    69    70  
   68    71    72    69  
   71    72    69  
   70    71    72  
    0  
   72  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.200000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   72   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    45   320.000  1.410
   42    43   222.000  1.810
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    59   382.000  1.448
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   382.000  1.448
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    72   222.000  1.810
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   222.000  1.810
   71    72   166.000  2.038
   69    70   553.000  0.945
   59    62   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   45    46   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    75.00000  111.63000
   37    40    41    37.50000  110.70000
   37    40    42    58.35000  112.70000
   37    40    45    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    75.00000  111.63000
   40    42    44    37.50000  110.70000
   40    42    47    58.35000  112.70000
   40    45    46    55.00000  108.50000
   42    40    41    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    58.35000  112.70000
   42    47    59    56.20000  109.47000
   44    42    43    35.00000  109.50000
   47    42    43    75.00000  111.63000
   47    42    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    59    55    51.80000  107.20000
   47    59    62    51.80000  107.20000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    59    56.20000  109.47000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    60    58.35000  112.70000
   55    57    72    75.00000  111.63000
   55    59    62    51.80000  107.20000
   57    55    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    66    58.35000  112.70000
   57    60    69    50.00000  109.50000
   57    72    71    68.00000  103.70000
   60    57    58    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    71    75.00000  111.63000
   60    69    70    55.00000  108.50000
   66    60    61    37.50000  110.70000
   66    71    72    68.00000  103.70000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   72    57    58    35.00000  109.50000
   72    57    60    75.00000  111.63000
   69    60    61    35.00000  109.50000
   69    60    66    50.00000  109.50000
   59    47    48    35.00000  109.50000
   59    47    49    56.20000  109.47000
   59    55    56    35.00000  109.50000
   59    55    57    56.20000  109.47000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.24000  1.0 3.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.44750  1.0 1.0
   33    37    40    42  -0.17800 -1.0 2.0
   33    37    40    42   0.20200  1.0 3.0
   33    37    40    45   0.56750  1.0 1.0
   33    37    40    45  -0.07550 -1.0 2.0
   33    37    40    45   0.20000  1.0 3.0
   37    40    42    43   0.44750  1.0 1.0
   37    40    42    43  -0.17800 -1.0 2.0
   37    40    42    43   0.20200  1.0 3.0
   37    40    42    44   0.15000  1.0 3.0
   37    40    42    47   0.56750  1.0 1.0
   37    40    42    47  -0.07550 -1.0 2.0
   37    40    42    47   0.20000  1.0 3.0
   37    40    45    46  -0.11600  1.0 1.0
   37    40    45    46  -0.09450 -1.0 2.0
   37    40    45    46   0.21250  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   38    37    40    45   0.23400  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42   0.15000  1.0 3.0
   39    37    40    45   0.23400  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.56750  1.0 1.0
   40    42    47    49  -0.07550 -1.0 2.0
   40    42    47    49   0.20000  1.0 3.0
   40    42    47    59   1.53400  1.0 1.0
   40    42    47    59  -0.09950 -1.0 2.0
   40    42    47    59   0.05700  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40    42    44   0.15000  1.0 3.0
   41    40    42    47   0.15000  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   42    40    45    46  -0.11600  1.0 1.0
   42    40    45    46  -0.09450 -1.0 2.0
   42    40    45    46   0.21250  1.0 3.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47    49    52   0.56750  1.0 1.0
   42    47    49    52  -0.07550 -1.0 2.0
   42    47    49    52   0.20000  1.0 3.0
   42    47    59    55   0.23450  1.0 1.0
   42    47    59    55   0.02050 -1.0 2.0
   42    47    59    55   0.25250  1.0 3.0
   42    47    59    62   0.23450  1.0 1.0
   42    47    59    62   0.02050 -1.0 2.0
   42    47    59    62   0.25250  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.44750  1.0 1.0
   43    42    47    49  -0.17800 -1.0 2.0
   43    42    47    49   0.20200  1.0 3.0
   43    42    47    59   0.56750  1.0 1.0
   43    42    47    59  -0.07550 -1.0 2.0
   43    42    47    59   0.20000  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    59   0.15000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49   -52    55   0.56750  1.0 1.0
   47    49   -52    55  -0.07550 -1.0 2.0
   47    49   -52    55   0.20000  1.0 3.0
   47    59    62    63   0.28000  1.0 3.0
   47    59    62    64   0.28000  1.0 3.0
   47    59    62    65   0.28000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    59    55   0.28000  1.0 3.0
   48    47    59    62   0.28000  1.0 3.0
   49    47   -59    55   0.23450  1.0 1.0
   49    47   -59    55   0.02050 -1.0 2.0
   49    47   -59    55   0.25250  1.0 3.0
   49    47    59    62   0.58650  1.0 1.0
   49    47    59    62   0.12600 -1.0 2.0
   49    47    59    62   0.33350  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.56750  1.0 1.0
   49    52    55    57  -0.07550 -1.0 2.0
   49    52    55    57   0.20000  1.0 3.0
   49    52   -55    59   1.53400  1.0 1.0
   49    52   -55    59  -0.09950 -1.0 2.0
   49    52   -55    59   0.05700  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    60   0.56750  1.0 1.0
   52    55    57    60  -0.07550 -1.0 2.0
   52    55    57    60   0.20000  1.0 3.0
   52    55    57    72   0.44750  1.0 1.0
   52    55    57    72  -0.17800 -1.0 2.0
   52    55    57    72   0.20200  1.0 3.0
   52    55   -59    47   0.23450  1.0 1.0
   52    55   -59    47   0.02050 -1.0 2.0
   52    55   -59    47   0.25250  1.0 3.0
   52    55    59    62   0.58650  1.0 1.0
   52    55    59    62   0.12600 -1.0 2.0
   52    55    59    62   0.33350  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    59   0.15000  1.0 3.0
   55    57    60    61   0.15000  1.0 3.0
   55    57    60    66   0.56750  1.0 1.0
   55    57    60    66  -0.07550 -1.0 2.0
   55    57    60    66   0.20000  1.0 3.0
   55    57    60    69   0.86500  1.0 1.0
   55    57    60    69  -0.17500 -1.0 2.0
   55    57    60    69   0.20800  1.0 3.0
   55    57    72    71   0.09450  1.0 1.0
   55    57    72    71  -0.17100 -1.0 2.0
   55    57    72    71   0.39100  1.0 3.0
   55    59    62    63   0.28000  1.0 3.0
   55    59    62    64   0.28000  1.0 3.0
   55    59    62    65   0.28000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    57    72   0.15000  1.0 3.0
   56    55    59    47   0.28000  1.0 3.0
   56    55    59    62   0.28000  1.0 3.0
   57    55    59    47   0.23450  1.0 1.0
   57    55    59    47   0.02050 -1.0 2.0
   57    55    59    47   0.25250  1.0 3.0
   57    55    59    62   0.23450  1.0 1.0
   57    55    59    62   0.02050 -1.0 2.0
   57    55    59    62   0.25250  1.0 3.0
   57    60    66    67   0.15000  1.0 3.0
   57    60    66    68   0.15000  1.0 3.0
   57    60   -66    71   0.44750  1.0 1.0
   57    60   -66    71  -0.17800 -1.0 2.0
   57    60   -66    71   0.20200  1.0 3.0
   57    60    69    70  -0.11600  1.0 1.0
   57    60    69    70  -0.09450 -1.0 2.0
   57    60    69    70   0.21250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    66   0.15000  1.0 3.0
   58    57    60    69   0.23400  1.0 3.0
   58    57    72    71   0.24000  1.0 3.0
   60    57   -72    71   0.09450  1.0 1.0
   60    57   -72    71  -0.17100 -1.0 2.0
   60    57   -72    71   0.39100  1.0 3.0
   60    66   -71    72   0.09450  1.0 1.0
   60    66   -71    72  -0.17100 -1.0 2.0
   60    66   -71    72   0.39100  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   61    60    69    70   0.19450  1.0 3.0
   66    60    69    70  -0.11600  1.0 1.0
   66    60    69    70  -0.09450 -1.0 2.0
   66    60    69    70   0.21250  1.0 3.0
   66    71   -72    57  -3.49700 -1.0 2.0
   66    71   -72    57   0.74750  1.0 3.0
   67    66    71    72   0.24000  1.0 3.0
   68    66    71    72   0.24000  1.0 3.0
   72    57    60    61   0.15000  1.0 3.0
   72    57   -60    66   0.44750  1.0 1.0
   72    57   -60    66  -0.17800 -1.0 2.0
   72    57   -60    66   0.20200  1.0 3.0
   72    57    60    69   0.56750  1.0 1.0
   72    57    60    69  -0.07550 -1.0 2.0
   72    57    60    69   0.20000  1.0 3.0
   69    60    66    67   0.23400  1.0 3.0
   69    60    66    68   0.23400  1.0 3.0
   69    60    66    71   0.56750  1.0 1.0
   69    60    66    71  -0.07550 -1.0 2.0
   69    60    66    71   0.20000  1.0 3.0
   59    47    49    50   0.15000  1.0 3.0
   59    47    49    51   0.15000  1.0 3.0
   59    47   -49    52   1.53400  1.0 1.0
   59    47   -49    52  -0.09950 -1.0 2.0
   59    47   -49    52   0.05700  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    60   1.53400  1.0 1.0
   59    55    57    60  -0.09950 -1.0 2.0
   59    55    57    60   0.05700  1.0 3.0
   59    55    57    72   0.56750  1.0 1.0
   59    55    57    72  -0.07550 -1.0 2.0
   59    55    57    72   0.20000  1.0 3.0
   45    40    42    43   0.56750  1.0 1.0
   45    40    42    43  -0.07550 -1.0 2.0
   45    40    42    43   0.20000  1.0 3.0
   45    40    42    44   0.23400  1.0 3.0
   45    40    42    47   0.86500  1.0 1.0
   45    40    42    47  -0.17500 -1.0 2.0
   45    40    42    47   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
END
