* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    233     434
    1     0 S   NP   _N1_     1    28.89943    96.67342   -24.89970
    2     1 S   H    _HN1     2     1.02794   116.78034  -100.51329
    3     1 S   H    _H1_     3     1.02946    70.68227     0.87021
    4     1 S   H    _H2_     4     1.02826    36.55474   175.39874
    5     1 S   CT   _CA1     5     1.50124   127.62659   102.19757
    6     5 S   HC   _HA1     6     1.09573   105.15553    96.84173
    7     5 S   CO3  _C1_     7     1.53759   112.50468   -23.36256
    8     7 S   O2Z  _O11     8     1.26374   115.00218   -41.73512
    9     7 S   O2Z  _O12     9     1.26235   114.94281   137.29397
   10     5 S   CT   _CB1    10     1.53058   107.40578  -145.17859
   11    10 S   HC   HB11    11     1.09843   109.30485   -49.32128
   12    10 S   HC   HB12    12     1.09810   110.47924    67.26366
   13    10 S   CT   _CG1    13     1.53030   112.66315  -170.25579
   14    13 S   HC   HG11    14     1.09566   110.76027   -68.05949
   15    13 S   HC   HG12    15     1.09669   109.67384    51.19686
   16    13 S   C    _CD1    16     1.51812   111.92421   171.69428
   17    16 S   O    _OE1    17     1.22760   123.14968    14.00964
   18    16 S   N    _N2_    18     1.38643   111.87903  -166.00859
   19    18 S   H    _HN2    19     1.01576   118.99257     0.88426
   20    18 S   CT1  _CA2    20     1.46222   123.35281   176.02015
   21    20 S   HC   _HA2    21     1.09739   109.28178     7.76228
   22    20 S   C    _C2_    22     1.53688   108.82125  -107.71900
   23    22 S   O    _O2_    23     1.23081   122.23525  -148.77153
   24    20 S   CT   _CB2    32     1.53309   111.66520   129.78620
   25    24 S   HC   HB21    33     1.09537   110.03096    56.64138
   26    24 S   HC   HB22    34     1.09522   110.09384   175.67795
   27    22 S   N    _N3_    24     1.38308   113.87145    38.71447
   28    27 S   H    _HN3    25     1.01539   119.62669    -3.11891
   29    24 S   S    _SG2    35     1.82690   111.53233   -64.57515
   30    27 S   CT   _CA3    26     1.45285   123.32359   177.25947
   31    30 S   HC   HA31    27     1.09546   107.49992   -65.19973
   32    30 S   HC   HA32    28     1.09554   108.02020    51.27412
   33    29 S   CT   _C8_    36     1.82776    99.46210  -176.09064
   34    33 S   HC   _H3_    37     1.09569   108.79015    46.29339
   35    30 S   CO3  _C3_    29     1.52989   114.00863   173.27471
   36    35 S   O2Z  _O31    30     1.26389   116.06954    -0.71409
   37    35 S   O2Z  _O32    31     1.26424   114.42022   179.34928
   38    33 S   CM   _C4_    38     1.49539   110.50669   -75.22548
   39    38 S   HC   _H21    39     1.08292   122.66736    74.62599
   40    38 S   CMA  _C5_    40     1.34596   113.97567  -105.54820
   41    40 S   OM   _O16    41     1.25877   132.80445   178.50459
   42    40 S   CT   _C15    42     1.56689   109.94592     1.74473
   43    33 S   CT   _C10    43     1.55018   117.17838   170.58877
   44    43 S   HC   _H26    44     1.10343   102.82092  -159.82271
   45    42 S   CT   _C14    63     1.57256   113.52743  -139.16800
   46    45 S   HC   _H30    64     1.09454   108.30954   -50.85654
   47    42 S   CT   _C18    71     1.54629   105.92351    96.80167
   48    47 S   HC   _H37    72     1.08759   113.17936  -153.30944
   49    47 S   HC   _H38    73     1.09247   111.28059    84.34445
   50    47 S   HC   _H39    74     1.09567   112.77124   -33.40909
   51    43 S   CT   _C12    45     1.54319   118.23618   -45.99146
   52    51 S   HC   _H28    46     1.09460   110.81345    71.57405
   53    45 S   OH   _O19    65     1.44521   108.05255    61.54789
   54    53 S   HO   _H40    66     0.97225   107.33964  -154.80483
   55    51 S   CT   _C7_    47     1.54367   111.68404  -166.07897
   56    55 S   HC   _H22    48     1.09765   110.26465    54.53304
   57    55 S   HC   _H23    49     1.09973   106.64112   168.74143
   58    51 S   CT   _C17    67     1.54332   110.93401   -47.31422
   59    58 S   HC   _H34    68     1.09569   111.10701   -57.79162
   60    58 S   HC   _H35    69     1.09584   110.78104  -177.63173
   61    58 S   HC   _H36    70     1.09190   112.47973    63.31933
   62    55 S   CT   _C13    50     1.52068   118.55254   -72.51192
   63    62 S   HC   _H29    51     1.10109   105.35497  -162.65433
   64    62 S   CT   _C11    52     1.52252   119.97464    76.63780
   65    64 S   HC   _H27    53     1.10059   106.76907    86.24195
   66    64 S   CT   _C9_    54     1.53638    99.76465  -163.11990
   67    66 S   HC   _H25    55     1.09997   108.00212   -78.61745
   68    66 S   CO4  _C6_    56     1.50608   102.84115    32.41597
   69    68 S   O    _O17    57     1.22063   126.34837   161.32034
   70    66 S   CT   _C16    59     1.51615   118.17293   159.43419
   71    70 S   HC   _H31    60     1.09158   112.93135   -67.01967
   72    70 S   HC   _H32    61     1.09597   110.14979   174.13890
   73    70 S   HC   _H33    62     1.09464   110.84425    55.14335
   74    62 S   OS   _O18    58     1.43190   112.24983   -48.73517
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  18   7   6   2
   1   1  12   8   5   1  13   6   5   4   2   1   1   9   5  10
   5   8   7   6   2   4   2   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    55    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    64    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    55    62    64    65    66    45    46    53    54    58    47    48    49    50  
   44    51    52    55    56    57    62    64    45    46    53    58    59    60    61    47    48    49    50  
   51    52    55    45    58    47  
   46    53    54    47    48    49    50    51    55    62    63    64    65    66    67    68    70    74  
   53    54    47    62    64    65    66  
   48    49    50    51    53    64  
   49    50  
   50  
    0  
   52    55    56    57    62    63    64    74    58    59    60    61  
   55    56    57    62    58    59    60    61  
   54    62    64    65    66  
   64  
   56    57    62    63    64    65    66    68    74    58    59    60    61  
   57    62    63    64    74    58  
   62    63    64    74    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    74    70  
   64    65    66    68    74  
   65    66    67    68    69    74    70    71    72    73  
   66    67    68    74    70  
   67    68    69    74    70    71    72    73  
   68    69    74    70    71    72    73  
   69    74    70    71    72    73  
   74    70  
   71    72    73    74  
   72    73  
   73  
    0  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    74   320.000  1.410
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    45   268.000  1.529
   66    67   340.000  1.090
   66    68   317.000  1.522
   66    70   268.000  1.529
   68    69   570.000  1.229
   68    74   214.000  1.327
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    54   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    64    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    55    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   55    51    52    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    58.35000  112.70000
   55    62    74    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    58.35000  112.70000
   62    64    45    58.35000  112.70000
   62    74    68    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    63.00000  111.10000
   64    66    70    58.35000  112.70000
   64    45    46    37.50000  110.70000
   64    45    53    50.00000  109.50000
   66    64    65    37.50000  110.70000
   66    68    69    80.00000  120.40000
   66    68    74    81.00000  111.40000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   68    66    67    35.00000  109.50000
   74    62    63    35.00000  109.50000
   74    62    64    50.00000  109.50000
   74    68    69    83.00000  123.40000
   70    66    67    37.50000  110.70000
   70    66    68    63.00000  111.10000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    42    43    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    64    66    58.35000  112.70000
   45    53    54    55.00000  108.50000
   53    45    46    35.00000  109.50000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    55   0.56750  1.0 1.0
   33    43    51    55  -0.07550 -1.0 2.0
   33    43    51    55   0.20000  1.0 3.0
   33    43    51    58   0.56750  1.0 1.0
   33    43    51    58  -0.07550 -1.0 2.0
   33    43    51    58   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    64   0.34400  1.0 1.0
   40    42    45    64   0.09450 -1.0 2.0
   40    42    45    64   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   1.05650  1.0 1.0
   40    42    45    53   0.15600 -1.0 2.0
   40    42    45    53   0.53150  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    55   0.56750  1.0 1.0
   42    43    51    55  -0.07550 -1.0 2.0
   42    43    51    55   0.20000  1.0 3.0
   42    43    51    58   0.56750  1.0 1.0
   42    43    51    58  -0.07550 -1.0 2.0
   42    43    51    58   0.20000  1.0 3.0
   42    45    53    54  -0.11600  1.0 1.0
   42    45    53    54  -0.09450 -1.0 2.0
   42    45    53    54   0.21250  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    64   0.56750  1.0 1.0
   43    42    45    64  -0.07550 -1.0 2.0
   43    42    45    64   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.86500  1.0 1.0
   43    42    45    53  -0.17500 -1.0 2.0
   43    42    45    53   0.20800  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    55    56   0.15000  1.0 3.0
   43    51    55    57   0.15000  1.0 3.0
   43    51    55    62   0.56750  1.0 1.0
   43    51    55    62  -0.07550 -1.0 2.0
   43    51    55    62   0.20000  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    55   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    64   0.56750  1.0 1.0
   51    55    62    64  -0.07550 -1.0 2.0
   51    55    62    64   0.20000  1.0 3.0
   51    55    62    74   0.62750  1.0 1.0
   51    55    62    74  -0.30950 -1.0 2.0
   51    55    62    74   0.27300  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    62   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    60   0.15000  1.0 3.0
   55    51    58    61   0.15000  1.0 3.0
   55    62    64    65   0.15000  1.0 3.0
   55    62    64    66   0.56750  1.0 1.0
   55    62    64    66  -0.07550 -1.0 2.0
   55    62    64    66   0.20000  1.0 3.0
   55    62    64    45   0.56750  1.0 1.0
   55    62    64    45  -0.07550 -1.0 2.0
   55    62    64    45   0.20000  1.0 3.0
   55    62    74    68  -0.25900  1.0 1.0
   55    62    74    68  -0.47000 -1.0 2.0
   55    62    74    68   0.11750  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    74   0.23400  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    74   0.23400  1.0 3.0
   62    64    66    67   0.15000  1.0 3.0
   62    64   -66    68  -0.95700  1.0 1.0
   62    64   -66    68  -0.18200 -1.0 2.0
   62    64   -66    68   0.29450  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    45    42   0.56750  1.0 1.0
   62    64    45    42  -0.07550 -1.0 2.0
   62    64    45    42   0.20000  1.0 3.0
   62    64    45    46   0.15000  1.0 3.0
   62    64    45    53   0.86500  1.0 1.0
   62    64    45    53  -0.17500 -1.0 2.0
   62    64    45    53   0.20800  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    45   0.15000  1.0 3.0
   63    62    74    68   0.08050  1.0 3.0
   64    62   -74    68  -0.25900  1.0 1.0
   64    62   -74    68  -0.47000 -1.0 2.0
   64    62   -74    68   0.11750  1.0 3.0
   64    66    68    69   0.30150 -1.0 2.0
   64    66   -68    74   0.36750  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66    70    72   0.15000  1.0 3.0
   64    66    70    73   0.15000  1.0 3.0
   64    45    53    54  -0.11600  1.0 1.0
   64    45    53    54  -0.09450 -1.0 2.0
   64    45    53    54   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68  -0.11250  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    45    42   0.15000  1.0 3.0
   65    64    45    46   0.15000  1.0 3.0
   65    64    45    53   0.23400  1.0 3.0
   66    64    45    42   0.56750  1.0 1.0
   66    64    45    42  -0.07550 -1.0 2.0
   66    64    45    42   0.20000  1.0 3.0
   66    64    45    46   0.15000  1.0 3.0
   66    64    45    53   0.86500  1.0 1.0
   66    64    45    53  -0.17500 -1.0 2.0
   66    64    45    53   0.20800  1.0 3.0
   66    68   -74    62   1.63150  1.0 1.0
   66    68   -74    62   2.92000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    74   0.00000  1.0 1.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   68    66    70    71  -0.11250  1.0 3.0
   68    66    70    72  -0.11250  1.0 3.0
   68    66    70    73  -0.11250  1.0 3.0
   69    68    74    62   3.00000 -1.0 2.0
   74    62    64    65   0.23400  1.0 3.0
   74    62   -64    66   0.62750  1.0 1.0
   74    62   -64    66  -0.30950 -1.0 2.0
   74    62   -64    66   0.27300  1.0 3.0
   74    62    64    45   0.62750  1.0 1.0
   74    62    64    45  -0.30950 -1.0 2.0
   74    62    64    45   0.27300  1.0 3.0
   70    66    68    69   0.30150 -1.0 2.0
   70    66    68    74   0.36750  1.0 3.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    64    66    67   0.15000  1.0 3.0
   45    64    66    68  -0.95700  1.0 1.0
   45    64    66    68  -0.18200 -1.0 2.0
   45    64    66    68   0.29450  1.0 3.0
   45    64    66    70   0.56750  1.0 1.0
   45    64    66    70  -0.07550 -1.0 2.0
   45    64    66    70   0.20000  1.0 3.0
   46    45    53    54   0.19450  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    62   0.56750  1.0 1.0
   58    51    55    62  -0.07550 -1.0 2.0
   58    51    55    62   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    64   0.56750  1.0 1.0
   47    42    45    64  -0.07550 -1.0 2.0
   47    42    45    64   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.86500  1.0 1.0
   47    42    45    53  -0.17500 -1.0 2.0
   47    42    45    53   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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   66    74    68    69  10.50000 -1.0 2.0
END
