* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    226     424
    1     0 S   NP   _N1_     1    28.72212    94.91528   -22.52002
    2     1 S   H    _HN1     2     1.02975    83.89715    27.39380
    3     1 S   H    _H1_     3     1.02820    29.91681   168.39919
    4     1 S   H    _H2_     4     1.02776    98.57432   -80.23878
    5     1 S   CT   _CA1     5     1.50170   138.50972   141.31433
    6     5 S   HC   _HA1     6     1.09585   105.18648    73.19233
    7     5 S   CO3  _C1_     7     1.53772   112.47091   -46.76935
    8     7 S   O2Z  _O11     8     1.26345   115.03592   -41.37472
    9     7 S   O2Z  _O12     9     1.26261   114.91502   137.67095
   10     5 S   CT   _CB1    10     1.53062   107.29273  -169.11946
   11    10 S   HC   HB11    11     1.09819   109.03665   -52.24705
   12    10 S   HC   HB12    12     1.09826   110.43888    64.13004
   13    10 S   CT   _CG1    13     1.53011   112.91024  -173.57874
   14    13 S   HC   HG11    14     1.09597   110.23239   -65.74096
   15    13 S   HC   HG12    15     1.09640   110.19340    53.49396
   16    13 S   C    _CD1    16     1.51812   112.19161   173.44848
   17    16 S   O    _OE1    17     1.22717   123.17835   -11.55788
   18    16 S   N    _N2_    18     1.38626   111.82853   169.66981
   19    18 S   H    _HN2    19     1.01566   119.10142     1.63015
   20    18 S   CT1  _CA2    20     1.46087   123.24472  -179.76097
   21    20 S   HC   _HA2    21     1.09602   109.38158    -2.07575
   22    20 S   C    _C2_    22     1.53508   108.81615  -117.44353
   23    22 S   O    _O2_    23     1.23053   122.07474  -146.74795
   24    20 S   CT   _CB2    32     1.53350   111.59561   120.15892
   25    24 S   HC   HB21    33     1.09656   109.66473    61.62155
   26    24 S   HC   HB22    34     1.09575   110.90127   178.96448
   27    22 S   N    _N3_    24     1.38467   113.63269    40.66637
   28    27 S   H    _HN3    25     1.01503   118.97003    -0.58584
   29    24 S   S    _SG2    35     1.82789   114.66358   -58.28162
   30    27 S   CT   _CA3    26     1.45443   123.47431   175.29306
   31    30 S   HC   HA31    27     1.09518   109.36210    23.19764
   32    30 S   HC   HA32    28     1.09502   107.12773   140.17315
   33    29 S   CT   _C18    36     1.82178    99.80897   -66.23043
   34    33 S   HC   _H3_    37     1.09390   109.64007   -46.83962
   35    33 S   HC   _H4_    38     1.09353   108.48601    70.06010
   36    30 S   CO3  _C3_    29     1.52883   112.86726  -100.35467
   37    36 S   O2Z  _O31    30     1.26413   115.25904   -49.89274
   38    36 S   O2Z  _O32    31     1.26331   115.08898   130.97100
   39    33 S   CM   _C6_    39     1.50132   110.12173  -168.10791
   40    39 S   CMA  _C7_    40     1.35058   127.58897  -109.19332
   41    40 S   OM   _O16    41     1.26275   128.26907    -0.24389
   42    40 S   OS   _O17    42     1.42216   109.33081  -179.28921
   43    42 S   CT   _C10    43     1.44593   105.76721   -17.72443
   44    43 S   HC   _H26    44     1.10237   105.85841   -84.02422
   45    43 S   CM   _C4_    45     1.49901   107.15594   164.08164
   46    45 S   HC   _H21    46     1.09289   110.02238    64.38792
   47    39 S   CT   _C12    55     1.50431   121.25221    73.25843
   48    47 S   HC   _H28    56     1.09688   110.93770   -49.09456
   49    45 S   CM   _C5_    47     1.34589   134.29450  -113.70630
   50    49 S   CT   _C11    48     1.51261   127.56150     0.43476
   51    50 S   HC   _H27    49     1.10054   105.47726    99.53492
   52    49 S   CT   _C16    71     1.51564   117.69539   175.20952
   53    52 S   HC   _H31    72     1.09418   110.80663   113.44993
   54    52 S   HC   _H32    73     1.09550   112.71757    -6.68789
   55    52 S   HC   _H33    74     1.09535   110.22050  -126.06481
   56    50 S   CT   _C13    50     1.53435   118.95009   -22.47617
   57    56 S   HC   _H29    51     1.10086   109.58892   -59.26427
   58    56 S   CT   _C8_    52     1.52543   114.14563    61.58211
   59    58 S   HC   _H22    53     1.09648   108.59788   154.60844
   60    58 S   HC   _H23    54     1.09741   111.03154    37.53958
   61    56 S   CT   _C15    57     1.55084   102.66848  -173.18727
   62    61 S   CT   _C9_    58     1.54579   104.62099    33.80759
   63    62 S   HC   _H24    59     1.09647   110.37511  -125.70883
   64    62 S   HC   _H25    60     1.09565   112.00211   114.12116
   65    61 S   CT   _C17    65     1.53277   115.13777   -88.01357
   66    65 S   HC   _H34    66     1.09495   111.51655   -67.20514
   67    65 S   HC   _H35    67     1.09658   110.42155   175.60992
   68    65 S   HC   _H36    68     1.09408   112.19829    55.00667
   69    61 S   OH   _O19    69     1.42676   108.56173   151.05573
   70    69 S   HO   _H40    70     0.97244   107.93315  -175.07407
   71    50 S   CT   _C14    61     1.54479   115.69346  -142.21338
   72    71 S   HC   _H30    62     1.09489   112.68303   -68.08391
   73    71 S   OH   _O18    63     1.42618   110.60263    53.37031
   74    73 S   HO   _H39    64     0.97230   107.49520   178.57894
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4   9   4
  14  20   9   5   2   1   1  17   8   7   2   1  12  12   6   5
   6   3   2   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    58    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    56    58    59    60    47    48  
   41    42    43    44    45    58    47    48  
   42    43    47  
   43    44    45    46    49    58    47    48  
   44    45    46    49    50    56    58    59    60    47    48    52  
   45    46    49    58    47    48  
   46    49    50    51    56    58    47    48    71    52    53    54    55  
   49    50    47    52  
   48    61    49    50    56    57    58    59    60  
   56    58    59    60  
   50    51    56    57    58    61    62    71    72    73    52    53    54    55  
   51    56    57    58    59    60    61    62    63    64    71    72    73    74    65    69    52    53    54    55  
   56    57    58    61    62    71    72    73    52  
   53    54    55    56    71  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    64    71    72    73    65    66    67    68    69    70  
   58    59    60    61    62    71    65    69  
   59    60    61    62    71    65    69  
   60    61  
   61  
   62    63    64    71    72    73    65    66    67    68    69    70  
   63    64    71    72    73    74    65    66    67    68    69    70  
   64    71    72    73    65    69  
   71    72    73    65    69  
   66    67    68    69    70    71  
   67    68    69  
   68    69  
   69  
   70    71  
    0  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    71   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    47   268.000  1.529
   47    48   340.000  1.090
   61    62   268.000  1.529
   61    65   268.000  1.529
   61    69   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   320.000  1.410
   73    74   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    58    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    58    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    71    70.00000  112.02700
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    58.35000  112.70000
   50    56    61    58.35000  112.70000
   50    71    62    58.35000  112.70000
   50    71    72    37.50000  110.70000
   50    71    73    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    47    58.35000  112.70000
   56    61    62    58.35000  112.70000
   56    61    65    58.35000  112.70000
   56    61    69    50.00000  109.50000
   58    56    57    37.50000  110.70000
   58    47    48    37.50000  110.70000
   60    58    59    33.00000  107.80000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    58    59    37.50000  110.70000
   47    58    60    37.50000  110.70000
   61    56    57    37.50000  110.70000
   61    56    58    58.35000  112.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    71    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    70    55.00000  108.50000
   62    71    72    37.50000  110.70000
   62    71    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   71    50    51    37.50000  110.70000
   71    50    56    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   71    73    74    55.00000  108.50000
   73    71    72    35.00000  109.50000
   65    61    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    50.00000  109.50000
   69    61    65    50.00000  109.50000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    58   0.46850  1.0 1.0
   33    39    47    58   0.08550 -1.0 2.0
   33    39    47    58   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    58   0.09850  1.0 1.0
   40    39    47    58   0.15250 -1.0 2.0
   40    39    47    58  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    58   0.62750  1.0 1.0
   42    43    47    58  -0.30950 -1.0 2.0
   42    43    47    58   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    58   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    58   0.34400  1.0 1.0
   45    43    47    58   0.09450 -1.0 2.0
   45    43    47    58   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    71   0.09850  1.0 1.0
   45    49    50    71   0.15250 -1.0 2.0
   45    49    50    71  -0.50650  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.34400  1.0 1.0
   49    50    56    58   0.09450 -1.0 2.0
   49    50    56    58   0.11100  1.0 3.0
   49    50    56    61   0.34400  1.0 1.0
   49    50    56    61   0.09450 -1.0 2.0
   49    50    56    61   0.11100  1.0 3.0
   49    50    71    62   0.34400  1.0 1.0
   49    50    71    62   0.09450 -1.0 2.0
   49    50    71    62   0.11100  1.0 3.0
   49    50    71    72   0.15000  1.0 3.0
   49    50    71    73   1.05650  1.0 1.0
   49    50    71    73   0.15600 -1.0 2.0
   49    50    71    73   0.53150  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    58    59   0.15000  1.0 3.0
   50    56    58    60   0.15000  1.0 3.0
   50    56    58    47   0.56750  1.0 1.0
   50    56    58    47  -0.07550 -1.0 2.0
   50    56    58    47   0.20000  1.0 3.0
   50    56   -61    62   0.56750  1.0 1.0
   50    56   -61    62  -0.07550 -1.0 2.0
   50    56   -61    62   0.20000  1.0 3.0
   50    56    61    65   0.56750  1.0 1.0
   50    56    61    65  -0.07550 -1.0 2.0
   50    56    61    65   0.20000  1.0 3.0
   50    56    61    69   0.86500  1.0 1.0
   50    56    61    69  -0.17500 -1.0 2.0
   50    56    61    69   0.20800  1.0 3.0
   50    71    73    74  -0.11600  1.0 1.0
   50    71    73    74  -0.09450 -1.0 2.0
   50    71    73    74   0.21250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   51    50    71    62   0.15000  1.0 3.0
   51    50    71    72   0.15000  1.0 3.0
   51    50    71    73   0.23400  1.0 3.0
   56    50   -71    62   0.56750  1.0 1.0
   56    50   -71    62  -0.07550 -1.0 2.0
   56    50   -71    62   0.20000  1.0 3.0
   56    50    71    72   0.15000  1.0 3.0
   56    50    71    73   0.86500  1.0 1.0
   56    50    71    73  -0.17500 -1.0 2.0
   56    50    71    73   0.20800  1.0 3.0
   56    58    47    39   0.34400  1.0 1.0
   56    58    47    39   0.09450 -1.0 2.0
   56    58    47    39   0.11100  1.0 3.0
   56    58    47    43   0.56750  1.0 1.0
   56    58    47    43  -0.07550 -1.0 2.0
   56    58    47    43   0.20000  1.0 3.0
   56    58    47    48   0.15000  1.0 3.0
   56    61    62    63   0.15000  1.0 3.0
   56    61    62    64   0.15000  1.0 3.0
   56    61   -62    71   0.56750  1.0 1.0
   56    61   -62    71  -0.07550 -1.0 2.0
   56    61   -62    71   0.20000  1.0 3.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    68   0.15000  1.0 3.0
   56    61    69    70  -0.11600  1.0 1.0
   56    61    69    70  -0.09450 -1.0 2.0
   56    61    69    70   0.21250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    47   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   57    56    61    69   0.23400  1.0 3.0
   58    56    61    62   0.56750  1.0 1.0
   58    56    61    62  -0.07550 -1.0 2.0
   58    56    61    62   0.20000  1.0 3.0
   58    56    61    65   0.56750  1.0 1.0
   58    56    61    65  -0.07550 -1.0 2.0
   58    56    61    65   0.20000  1.0 3.0
   58    56    61    69   0.86500  1.0 1.0
   58    56    61    69  -0.17500 -1.0 2.0
   58    56    61    69   0.20800  1.0 3.0
   59    58    47    39   0.15000  1.0 3.0
   59    58    47    43   0.15000  1.0 3.0
   59    58    47    48   0.15000  1.0 3.0
   60    58    47    39   0.15000  1.0 3.0
   60    58    47    43   0.15000  1.0 3.0
   60    58    47    48   0.15000  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    47   0.56750  1.0 1.0
   61    56    58    47  -0.07550 -1.0 2.0
   61    56    58    47   0.20000  1.0 3.0
   61    62   -71    50   0.56750  1.0 1.0
   61    62   -71    50  -0.07550 -1.0 2.0
   61    62   -71    50   0.20000  1.0 3.0
   61    62    71    72   0.15000  1.0 3.0
   61    62    71    73   0.86500  1.0 1.0
   61    62    71    73  -0.17500 -1.0 2.0
   61    62    71    73   0.20800  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    69    70  -0.11600  1.0 1.0
   62    61    69    70  -0.09450 -1.0 2.0
   62    61    69    70   0.21250  1.0 3.0
   62    71    73    74  -0.11600  1.0 1.0
   62    71    73    74  -0.09450 -1.0 2.0
   62    71    73    74   0.21250  1.0 3.0
   63    62    71    50   0.15000  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.23400  1.0 3.0
   64    62    71    50   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.23400  1.0 3.0
   71    50    56    57   0.15000  1.0 3.0
   71    50    56    58   0.56750  1.0 1.0
   71    50    56    58  -0.07550 -1.0 2.0
   71    50    56    58   0.20000  1.0 3.0
   71    50   -56    61   0.56750  1.0 1.0
   71    50   -56    61  -0.07550 -1.0 2.0
   71    50   -56    61   0.20000  1.0 3.0
   72    71    73    74   0.19450  1.0 3.0
   65    61    62    63   0.15000  1.0 3.0
   65    61    62    64   0.15000  1.0 3.0
   65    61    62    71   0.56750  1.0 1.0
   65    61    62    71  -0.07550 -1.0 2.0
   65    61    62    71   0.20000  1.0 3.0
   65    61    69    70  -0.11600  1.0 1.0
   65    61    69    70  -0.09450 -1.0 2.0
   65    61    69    70   0.21250  1.0 3.0
   69    61    62    63   0.23400  1.0 3.0
   69    61    62    64   0.23400  1.0 3.0
   69    61    62    71   0.86500  1.0 1.0
   69    61    62    71  -0.17500 -1.0 2.0
   69    61    62    71   0.20800  1.0 3.0
   69    61    65    66   0.23400  1.0 3.0
   69    61    65    67   0.23400  1.0 3.0
   69    61    65    68   0.23400  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    71   0.46850  1.0 1.0
   52    49    50    71   0.08550 -1.0 2.0
   52    49    50    71   0.09800  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
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
END
