* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    231     421
    1     0 S   NP   _N1_     1    29.06492    95.08971   -19.19543
    2     1 S   H    _HN1     2     1.02787    76.59434   -52.86257
    3     1 S   H    _H1_     3     1.02958   104.40542    52.85218
    4     1 S   H    _H2_     4     1.02842    34.40260   152.29186
    5     1 S   CT   _CA1     5     1.50074   138.14106  -161.19616
    6     5 S   HC   _HA1     6     1.09585   105.29062    33.47317
    7     5 S   CO3  _C1_     7     1.53830   112.15017   -86.62017
    8     7 S   O2Z  _O11     8     1.26361   115.18771   -52.27872
    9     7 S   O2Z  _O12     9     1.26235   114.90914   127.06328
   10     5 S   CT   _CB1    10     1.53096   107.38754   151.08961
   11    10 S   HC   HB11    11     1.09812   109.41371   -52.70015
   12    10 S   HC   HB12    12     1.09806   110.39739    63.72822
   13    10 S   CT   _CG1    13     1.52990   112.57182  -173.93861
   14    13 S   HC   HG11    14     1.09503   110.16859   -57.32404
   15    13 S   HC   HG12    15     1.09599   110.36886    61.59451
   16    13 S   C    _CD1    16     1.51785   111.75210  -178.50315
   17    16 S   O    _OE1    17     1.22765   122.85849   -27.12338
   18    16 S   N    _N2_    18     1.38511   111.97712   154.20583
   19    18 S   H    _HN2    19     1.01571   119.01896     0.97679
   20    18 S   CT1  _CA2    20     1.46232   123.60265  -177.14151
   21    20 S   HC   _HA2    21     1.09726   109.40697   -19.18914
   22    20 S   C    _C2_    22     1.53394   107.94505  -134.93386
   23    22 S   O    _O2_    23     1.22993   122.39808  -144.20857
   24    20 S   CT   _CB2    32     1.53480   111.05920   103.18087
   25    24 S   HC   HB21    33     1.09490   109.49381    51.32410
   26    24 S   HC   HB22    34     1.09493   110.87050   170.04794
   27    22 S   N    _N3_    24     1.38558   113.22252    43.06764
   28    27 S   H    _HN3    25     1.01541   118.90716    -0.44235
   29    24 S   S    _SG2    35     1.82771   111.77256   -70.73091
   30    27 S   CT   _CA3    26     1.45445   123.38052   175.19964
   31    30 S   HC   HA31    27     1.09530   109.14536    25.98038
   32    30 S   HC   HA32    28     1.09495   107.13833   142.96465
   33    29 S   CT   _C11    36     1.82773    99.85994   156.44567
   34    33 S   HC   _H3_    37     1.10026   103.93355    49.69936
   35    30 S   CO3  _C3_    29     1.52934   113.20032   -97.43899
   36    35 S   O2Z  _O31    30     1.26396   115.44563   -43.73089
   37    35 S   O2Z  _O32    31     1.26362   114.95858   137.22605
   38    33 S   CT   _C9_    38     1.54391   117.47063   -67.61415
   39    38 S   HC   _H25    39     1.09694   109.10773    86.61150
   40    38 S   CM   _C4_    40     1.51931   103.28629  -155.42403
   41    40 S   CM   _C5_    41     1.35031   120.12863   173.30379
   42    40 S   CT   _C10    62     1.50491   110.55051    -0.29674
   43    42 S   HC   _H26    63     1.09290   114.30558   146.06850
   44    41 S   C3T  _C12    42     1.50456   118.36252     2.35202
   45    41 S   CT   _C15    58     1.50431   122.95063  -175.18358
   46    45 S   HC   _H28    59     1.09499   110.24062   122.17490
   47    45 S   HC   _H29    60     1.09261   113.31785     2.05719
   48    45 S   HC   _H30    61     1.09481   110.40073  -117.59277
   49    33 S   CT   _C14    64     1.56003   115.97857   166.41984
   50    42 S   OH   _O17    74     1.42428   108.00047   -92.81073
   51    50 S   HO   _H39    75     0.97261   107.33990   -66.30429
   52    44 S   C3T  _C7_    43     1.52767   114.37166   102.41744
   53    52 S   HC   _H21    44     1.08536   118.84587     5.17725
   54    52 S   HC   _H22    45     1.08201   120.70377  -141.77810
   55    44 S   CT   _C13    49     1.54318   113.75403   -42.64005
   56    49 S   CT   _C17    65     1.54208   111.24953   -70.52279
   57    56 S   HC   _H34    66     1.09545   111.22988    72.53623
   58    56 S   HC   _H35    67     1.09549   111.92002   -47.35945
   59    56 S   HC   _H36    68     1.09557   111.19372  -167.43491
   60    49 S   CT   _C18    69     1.55102   113.62636    52.74692
   61    60 S   HC   _H37    70     1.09250   112.39647    57.29190
   62    60 S   HC   _H38    71     1.09448   111.27972   -64.25279
   63    44 S   C3T  _C8_    46     1.52050   120.38347   169.22042
   64    63 S   HC   _H23    47     1.08472   118.54990   150.62464
   65    63 S   HC   _H24    48     1.08263   120.67285     4.83189
   66    38 S   CO4  _C6_    50     1.53370   120.82277   -39.35477
   67    66 S   O    _O16    51     1.23020   123.46232     7.99134
   68    55 S   CT   _C16    52     1.52933   115.07367   150.46638
   69    68 S   HC   _H31    53     1.09495   111.57335    60.03887
   70    68 S   HC   _H32    54     1.09509   111.77550   -62.15068
   71    68 S   HC   _H33    55     1.09573   111.02972   178.16848
   72    55 S   OH   _O18    56     1.42851   107.45066   -88.25782
   73    72 S   HO   _H40    57     0.97641   108.45087  -176.57720
   74    60 S   OH   _O19    72     1.42575   110.34059   176.78314
   75    74 S   HO   _H41    73     0.97258   106.98567   179.13657
  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
  20   8   2   1   1  16   7  18  19  15   5  19   6   2   1   1
  12   3   1   9   5   4  11   7   3   2   1   4   3   2   5   1
   1   7   2   5   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    66    42    49    56    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    66    67    42    43    49    56    57    58    59    60    61    62    74    50  
   38    39    40    66    42    49    56    60  
   36    37  
   37  
    0  
   39    40    41    44    55    66    67    68    72    45    42    43    49    56    60    50  
   40    41    55    66    67    42    49  
   41    44    52    63    55    66    67    45    46    47    48    42    43    49    56    60    50    51  
   44    52    53    54    63    64    65    55    66    68    72    45    46    47    48    42    43    49    50  
   43    49    56    57    58    59    60    61    62    74    50    51    44    45    66  
   49    56    60    50    51  
   52    53    54    63    64    65    55    66    67    68    69    70    71    72    73    45    46    47    48  
   46    47    48    52    55    63  
   47    48  
   48  
    0  
   56    57    58    59    60    61    62    74    75    50    51    66  
   51    56    60  
    0  
   53    54    63    64    65    55    66    68    72  
   54    63    64    65    55  
   63    64    65    55  
   66    67    68    69    70    71    72    73    63    64    65  
   57    58    59    60    61    62    74  
   58    59    60  
   59    60  
   60  
   61    62    74    75  
   62    74    75  
   74    75  
   64    65    66    68    72  
   65  
    0  
   67    68    69    70    71    72    73  
   68    72  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    0  
   75  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    66   317.000  1.522
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    44   305.000  1.480
   41    45   317.000  1.510
   44    52   260.000  1.509
   44    63   260.000  1.509
   44    55   275.000  1.510
   52    53   340.000  1.088
   52    54   340.000  1.088
   52    63   260.000  1.509
   63    64   340.000  1.088
   63    65   340.000  1.088
   55    66   317.000  1.522
   55    68   268.000  1.529
   55    72   320.000  1.410
   66    67   570.000  1.229
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    50   320.000  1.410
   49    56   268.000  1.529
   49    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    74   320.000  1.410
   74    75   553.000  0.945
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    66    63.00000  111.10000
   33    49    42    58.35000  112.70000
   33    49    56    58.35000  112.70000
   33    49    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    70.00000  124.00000
   38    40    42    65.00000  117.92700
   38    66    55    70.00000  116.00000
   38    66    67    80.00000  120.40000
   40    38    39    35.00000  109.50000
   40    41    44    55.00000  125.06700
   40    41    45    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    49    70.00000  112.02700
   40    42    50    90.00000  110.39200
   41    44    52    60.00000  120.58800
   41    44    63    60.00000  120.58800
   41    44    55    65.00000  117.55000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   44    52    53    37.50000  117.20000
   44    52    54    37.50000  117.20000
   44    52    63    10.00000   60.00500
   44    63    52    10.00000   60.00500
   44    63    64    37.50000  117.20000
   44    63    65    37.50000  117.20000
   44    55    66    63.00000  111.10000
   44    55    68    70.00000  112.37300
   44    55    72    50.00000  109.50000
   52    63    64    37.50000  117.20000
   52    63    65    37.50000  117.20000
   54    52    53    35.00000  114.30000
   63    44    52    10.00000   60.00500
   63    52    53    37.50000  117.20000
   63    52    54    37.50000  117.20000
   65    63    64    35.00000  114.30000
   55    44    52    60.00000  120.94000
   55    44    63    60.00000  120.94000
   55    66    67    80.00000  120.40000
   55    68    69    37.50000  110.70000
   55    68    70    37.50000  110.70000
   55    68    71    37.50000  110.70000
   55    72    73    55.00000  108.50000
   66    38    39    35.00000  109.50000
   66    38    40    70.00000  109.06800
   68    55    66    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    55    66    90.00000  109.61100
   72    55    68    50.00000  109.50000
   45    41    44    65.00000  117.92700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   42    40    41    70.00000  124.00000
   42    49    56    58.35000  112.70000
   42    49    60    58.35000  112.70000
   42    50    51    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    74    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    49    56    58.35000  112.70000
   60    74    75    55.00000  108.50000
   62    60    61    33.00000  107.80000
   74    60    61    35.00000  109.50000
   74    60    62    35.00000  109.50000
   50    42    43    35.00000  109.50000
   50    42    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    66   0.56750  1.0 1.0
   29    33    38    66  -0.07550 -1.0 2.0
   29    33    38    66   0.20000  1.0 3.0
   29    33    49    42   0.44750  1.0 1.0
   29    33    49    42  -0.17800 -1.0 2.0
   29    33    49    42   0.20200  1.0 3.0
   29    33    49    56   0.44750  1.0 1.0
   29    33    49    56  -0.17800 -1.0 2.0
   29    33    49    56   0.20200  1.0 3.0
   29    33    49    60   0.44750  1.0 1.0
   29    33    49    60  -0.17800 -1.0 2.0
   29    33    49    60   0.20200  1.0 3.0
   33    38    40    41   0.09850  1.0 1.0
   33    38    40    41   0.15250 -1.0 2.0
   33    38    40    41  -0.50650  1.0 3.0
   33    38   -40    42   0.46850  1.0 1.0
   33    38   -40    42   0.08550 -1.0 2.0
   33    38   -40    42   0.09800  1.0 3.0
   33    38    66    55   0.60050  1.0 1.0
   33    38    66    55   0.05600 -1.0 2.0
   33    38    66    55   0.26150  1.0 3.0
   33    38    66    67   0.30150 -1.0 2.0
   33    49    56    57   0.15000  1.0 3.0
   33    49    56    58   0.15000  1.0 3.0
   33    49    56    59   0.15000  1.0 3.0
   33    49    60    61   0.15000  1.0 3.0
   33    49    60    62   0.15000  1.0 3.0
   33    49    60    74   0.86500  1.0 1.0
   33    49    60    74  -0.17500 -1.0 2.0
   33    49    60    74   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    66  -0.11250  1.0 3.0
   34    33    49    42   0.15000  1.0 3.0
   34    33    49    56   0.15000  1.0 3.0
   34    33    49    60   0.15000  1.0 3.0
   38    33   -49    42   0.56750  1.0 1.0
   38    33   -49    42  -0.07550 -1.0 2.0
   38    33   -49    42   0.20000  1.0 3.0
   38    33    49    56   0.56750  1.0 1.0
   38    33    49    56  -0.07550 -1.0 2.0
   38    33    49    56   0.20000  1.0 3.0
   38    33    49    60   0.56750  1.0 1.0
   38    33    49    60  -0.07550 -1.0 2.0
   38    33    49    60   0.20000  1.0 3.0
   38    40    41    44   7.00000 -1.0 2.0
   38    40    41    45   7.00000 -1.0 2.0
   38    40    42    43   0.34800  1.0 3.0
   38    40   -42    49   0.46850  1.0 1.0
   38    40   -42    49   0.08550 -1.0 2.0
   38    40   -42    49   0.09800  1.0 3.0
   38    40    42    50   0.18000  1.0 1.0
   38    40    42    50   0.16450 -1.0 2.0
   38    40    42    50   0.04450  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.34800  1.0 3.0
   39    38    66    55   0.00000  1.0 1.0
   39    38    66    67   0.00000  1.0 1.0
   40    38    66    55   0.65300  1.0 1.0
   40    38    66    55  -0.03850 -1.0 2.0
   40    38    66    55   0.33900  1.0 3.0
   40    38    66    67   0.30150 -1.0 2.0
   40    41    44    52   0.09850  1.0 1.0
   40    41    44    52   0.15250 -1.0 2.0
   40    41    44    52  -0.50650  1.0 3.0
   40    41    44    63   0.09850  1.0 1.0
   40    41    44    63   0.15250 -1.0 2.0
   40    41    44    63  -0.50650  1.0 3.0
   40    41   -44    55   0.09850  1.0 1.0
   40    41   -44    55   0.15250 -1.0 2.0
   40    41   -44    55  -0.50650  1.0 3.0
   40    41    45    46   0.00000  1.0 1.0
   40    41    45    47   0.00000  1.0 1.0
   40    41    45    48   0.00000  1.0 1.0
   40    42   -49    33   0.34400  1.0 1.0
   40    42   -49    33   0.09450 -1.0 2.0
   40    42   -49    33   0.11100  1.0 3.0
   40    42    49    56   0.34400  1.0 1.0
   40    42    49    56   0.09450 -1.0 2.0
   40    42    49    56   0.11100  1.0 3.0
   40    42    49    60   0.34400  1.0 1.0
   40    42    49    60   0.09450 -1.0 2.0
   40    42    49    60   0.11100  1.0 3.0
   40    42    50    51  -0.07800  1.0 1.0
   40    42    50    51  -0.21500 -1.0 2.0
   40    42    50    51  -0.03150  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    49   0.09850  1.0 1.0
   41    40    42    49   0.15250 -1.0 2.0
   41    40    42    49  -0.50650  1.0 3.0
   41    40    42    50   0.67800  1.0 1.0
   41    40    42    50   0.47050 -1.0 2.0
   41    40    42    50  -0.62500  1.0 3.0
   41    44    52    53   0.15000  1.0 3.0
   41    44    52    54   0.15000  1.0 3.0
   41    44   -52    63   0.34400  1.0 1.0
   41    44   -52    63   0.09450 -1.0 2.0
   41    44   -52    63   0.11100  1.0 3.0
   41    44   -63    52   0.34400  1.0 1.0
   41    44   -63    52   0.09450 -1.0 2.0
   41    44   -63    52   0.11100  1.0 3.0
   41    44    63    64   0.15000  1.0 3.0
   41    44    63    65   0.15000  1.0 3.0
   41    44    55    66  -0.98800  1.0 1.0
   41    44    55    66   0.48800 -1.0 2.0
   41    44    55    66   0.76800  1.0 3.0
   41    44    55    68   0.34400  1.0 1.0
   41    44    55    68   0.09450 -1.0 2.0
   41    44    55    68   0.11100  1.0 3.0
   41    44    55    72   1.05650  1.0 1.0
   41    44    55    72   0.15600 -1.0 2.0
   41    44    55    72   0.53150  1.0 3.0
   44    41    45    46   0.34800  1.0 3.0
   44    41    45    47   0.34800  1.0 3.0
   44    41    45    48   0.34800  1.0 3.0
   44    52   -63    64   0.15000  1.0 3.0
   44    52   -63    65   0.15000  1.0 3.0
   44    55   -66    38   0.60050  1.0 1.0
   44    55   -66    38   0.05600 -1.0 2.0
   44    55   -66    38   0.26150  1.0 3.0
   44    55    66    67   0.30150 -1.0 2.0
   44    55    68    69   0.15000  1.0 3.0
   44    55    68    70   0.15000  1.0 3.0
   44    55    68    71   0.15000  1.0 3.0
   44    55    72    73  -0.11600  1.0 1.0
   44    55    72    73  -0.09450 -1.0 2.0
   44    55    72    73   0.21250  1.0 3.0
   52    44   -63    64   0.15000  1.0 3.0
   52    44   -63    65   0.15000  1.0 3.0
   52    44    55    66  -0.95700  1.0 1.0
   52    44    55    66  -0.18200 -1.0 2.0
   52    44    55    66   0.29450  1.0 3.0
   52    44    55    68   0.07850  1.0 1.0
   52    44    55    68  -0.03950 -1.0 2.0
   52    44    55    68   0.67350  1.0 3.0
   52    44    55    72   0.86500  1.0 1.0
   52    44    55    72  -0.17500 -1.0 2.0
   52    44    55    72   0.20800  1.0 3.0
   53    52   -63    44   0.15000  1.0 3.0
   53    52    63    64   0.15000  1.0 3.0
   53    52    63    65   0.15000  1.0 3.0
   54    52   -63    44   0.15000  1.0 3.0
   54    52    63    64   0.15000  1.0 3.0
   54    52    63    65   0.15000  1.0 3.0
   63    44   -52    53   0.15000  1.0 3.0
   63    44   -52    54   0.15000  1.0 3.0
   63    44    55    66  -0.95700  1.0 1.0
   63    44    55    66  -0.18200 -1.0 2.0
   63    44    55    66   0.29450  1.0 3.0
   63    44    55    68   0.07850  1.0 1.0
   63    44    55    68  -0.03950 -1.0 2.0
   63    44    55    68   0.67350  1.0 3.0
   63    44    55    72   0.86500  1.0 1.0
   63    44    55    72  -0.17500 -1.0 2.0
   63    44    55    72   0.20800  1.0 3.0
   55    44    52    53   0.15000  1.0 3.0
   55    44    52    54   0.15000  1.0 3.0
   55    44   -52    63   0.07850  1.0 1.0
   55    44   -52    63  -0.03950 -1.0 2.0
   55    44   -52    63   0.67350  1.0 3.0
   55    44   -63    52   0.07850  1.0 1.0
   55    44   -63    52  -0.03950 -1.0 2.0
   55    44   -63    52   0.67350  1.0 3.0
   55    44    63    64   0.15000  1.0 3.0
   55    44    63    65   0.15000  1.0 3.0
   66    38   -40    41  -0.51250  1.0 1.0
   66    38   -40    41  -0.88800 -1.0 2.0
   66    38   -40    41   0.08850  1.0 3.0
   66    38    40    42   0.17250  1.0 1.0
   66    38    40    42  -0.04100 -1.0 2.0
   66    38    40    42  -0.33850  1.0 3.0
   66    55    68    69  -0.11250  1.0 3.0
   66    55    68    70  -0.11250  1.0 3.0
   66    55    68    71  -0.11250  1.0 3.0
   66    55    72    73   0.91850  1.0 1.0
   66    55    72    73   0.57950  1.0 3.0
   68    55    66    38   0.60050  1.0 1.0
   68    55    66    38   0.05600 -1.0 2.0
   68    55    66    38   0.26150  1.0 3.0
   68    55    66    67   0.30150 -1.0 2.0
   68    55    72    73  -0.11600  1.0 1.0
   68    55    72    73  -0.09450 -1.0 2.0
   68    55    72    73   0.21250  1.0 3.0
   72    55    66    38   0.55300  1.0 1.0
   72    55    66    38   1.25850 -1.0 2.0
   72    55    66    38  -0.23600  1.0 3.0
   72    55    66    67   0.30150 -1.0 2.0
   72    55    68    69   0.23400  1.0 3.0
   72    55    68    70   0.23400  1.0 3.0
   72    55    68    71   0.23400  1.0 3.0
   45    41    44    52   0.46850  1.0 1.0
   45    41    44    52   0.08550 -1.0 2.0
   45    41    44    52   0.09800  1.0 3.0
   45    41    44    63   0.46850  1.0 1.0
   45    41    44    63   0.08550 -1.0 2.0
   45    41    44    63   0.09800  1.0 3.0
   45    41    44    55   0.46850  1.0 1.0
   45    41    44    55   0.08550 -1.0 2.0
   45    41    44    55   0.09800  1.0 3.0
   42    40    41    44   7.00000 -1.0 2.0
   42    40    41    45   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    59   0.15000  1.0 3.0
   42    49    60    61   0.15000  1.0 3.0
   42    49    60    62   0.15000  1.0 3.0
   42    49    60    74   0.86500  1.0 1.0
   42    49    60    74  -0.17500 -1.0 2.0
   42    49    60    74   0.20800  1.0 3.0
   43    42    49    33   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    60   0.15000  1.0 3.0
   43    42    50    51   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    66  -0.95700  1.0 1.0
   49    33    38    66  -0.18200 -1.0 2.0
   49    33    38    66   0.29450  1.0 3.0
   49    42    50    51  -0.11600  1.0 1.0
   49    42    50    51  -0.09450 -1.0 2.0
   49    42    50    51   0.21250  1.0 3.0
   49    60    74    75  -0.11600  1.0 1.0
   49    60    74    75  -0.09450 -1.0 2.0
   49    60    74    75   0.21250  1.0 3.0
   56    49    60    61   0.15000  1.0 3.0
   56    49    60    62   0.15000  1.0 3.0
   56    49    60    74   0.86500  1.0 1.0
   56    49    60    74  -0.17500 -1.0 2.0
   56    49    60    74   0.20800  1.0 3.0
   60    49    56    57   0.15000  1.0 3.0
   60    49    56    58   0.15000  1.0 3.0
   60    49    56    59   0.15000  1.0 3.0
   61    60    74    75   0.19450  1.0 3.0
   62    60    74    75   0.19450  1.0 3.0
   50    42    49    33   0.86500  1.0 1.0
   50    42    49    33  -0.17500 -1.0 2.0
   50    42    49    33   0.20800  1.0 3.0
   50    42    49    56   0.86500  1.0 1.0
   50    42    49    56  -0.17500 -1.0 2.0
   50    42    49    56   0.20800  1.0 3.0
   50    42    49    60   0.86500  1.0 1.0
   50    42    49    60  -0.17500 -1.0 2.0
   50    42    49    60   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
   38    42    40    41   1.10000 -1.0 2.0
   44    45    41    40   1.10000 -1.0 2.0
   38    55    66    67  10.50000 -1.0 2.0
END
