* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    222     412
    1     0 S   NP   _N1_     1    27.98046    95.94980   -23.40623
    2     1 S   H    _HN1     2     1.02776   103.29824  -105.16242
    3     1 S   H    _H1_     3     1.02957    80.53980     1.60645
    4     1 S   H    _H2_     4     1.02835    30.43531   152.06231
    5     1 S   CT   _CA1     5     1.50133   136.00297   111.22300
    6     5 S   HC   _HA1     6     1.09574   105.20725    79.89684
    7     5 S   CO3  _C1_     7     1.53788   112.39681   -40.28084
    8     7 S   O2Z  _O11     8     1.26367   114.99153   -42.89430
    9     7 S   O2Z  _O12     9     1.26238   114.93838   136.20676
   10     5 S   CT   _CB1    10     1.53098   107.42286  -162.18009
   11    10 S   HC   HB11    11     1.09826   109.32607   -50.37238
   12    10 S   HC   HB12    12     1.09815   110.42543    66.18883
   13    10 S   CT   _CG1    13     1.53011   112.67411  -171.44342
   14    13 S   HC   HG11    14     1.09596   110.49417   -64.69936
   15    13 S   HC   HG12    15     1.09658   109.91441    54.49776
   16    13 S   C    _CD1    16     1.51840   112.34140   174.86680
   17    16 S   O    _OE1    17     1.22743   123.31820     0.58013
   18    16 S   N    _N2_    18     1.38549   111.67241  -179.43733
   19    18 S   H    _HN2    19     1.01556   118.97483     4.53803
   20    18 S   CT1  _CA2    20     1.45862   122.93547   178.00022
   21    20 S   HC   _HA2    21     1.09723   109.01330    23.33752
   22    20 S   C    _C2_    22     1.52893   106.87912   -93.82293
   23    22 S   O    _O2_    23     1.22982   122.98428   -28.25067
   24    20 S   CT   _CB2    32     1.53374   112.09937   146.63029
   25    24 S   HC   HB21    33     1.09244   109.26052    54.76583
   26    24 S   HC   HB22    34     1.09401   109.56692   173.34916
   27    22 S   N    _N3_    24     1.38468   112.59713   154.61037
   28    27 S   H    _HN3    25     1.01661   120.38796    -1.98859
   29    24 S   S    _SG2    35     1.82624   110.48336   -66.96421
   30    27 S   CT   _CA3    26     1.45360   122.46223   178.62413
   31    30 S   HC   HA31    27     1.09565   107.73902   -57.65721
   32    30 S   HC   HA32    28     1.09565   107.67373    58.67202
   33    29 S   CT   _C15    36     1.91346   104.14026   169.77297
   34    30 S   CO3  _C3_    29     1.52887   114.32841  -179.47362
   35    34 S   O2Z  _O31    30     1.26334   116.04453     1.00171
   36    34 S   O2Z  _O32    31     1.26437   114.41175  -179.02844
   37    33 S   CM   _C7_    37     1.56626   101.77569   151.82566
   38    33 S   CT   _C12    57     1.55599   111.53469    28.75220
   39    38 S   HC   _H27    58     1.09709   108.71687   -60.86138
   40    37 S   CMA  _C6_    38     1.36252   121.93745    91.57218
   41    40 S   OM   _O16    39     1.26179   131.73171  -179.45106
   42    37 S   CT   _C16    69     1.51720   118.09743   -84.64664
   43    42 S   HC   _H29    70     1.09269   111.14895   -71.87719
   44    42 S   HC   _H30    71     1.09500   112.98361   168.42926
   45    42 S   HC   _H31    72     1.09432   110.78988    49.73369
   46    40 S   CM   _C4_    40     1.46102   118.63587    -2.55106
   47    46 S   HC   _H21    41     1.08935   119.37045  -161.99123
   48    46 S   CM   _C5_    42     1.33950   122.69286    18.97786
   49    48 S   HC   _H22    43     1.08672   118.87732   177.39586
   50    33 S   CT   _C14    44     1.61065   112.03288   -90.81791
   51    50 S   CT   _C9_    45     1.56855   111.41536   171.57214
   52    51 S   HC   _H23    46     1.09946   110.39323  -173.89407
   53    51 S   HC   _H24    47     1.10005   110.33286    71.57442
   54    50 S   CT   _C18    65     1.54717   113.90233    49.68407
   55    54 S   HC   _H35    66     1.09307   112.40395    57.49226
   56    54 S   HC   _H36    67     1.09490   112.35116   -65.03971
   57    54 S   HC   _H37    68     1.09782   110.95783   176.44581
   58    51 S   CT   _C13    48     1.53441   114.83255   -50.46977
   59    58 S   HC   _H28    49     1.09561   110.68896   -67.78132
   60    58 S   CT   _C11    50     1.51898   108.82922    54.41864
   61    60 S   HC   _H26    51     1.09836   108.98893    62.38549
   62    58 S   OH   _O19    63     1.42250   109.23238   173.94874
   63    62 S   HO   _H38    64     0.97245   107.64896    57.85291
   64    60 S   CT   _C10    52     1.52271   118.15724  -174.35798
   65    64 S   HC   _H25    53     1.09627   111.48593    40.77223
   66    64 S   CO4  _C8_    54     1.51748   100.38357   155.03842
   67    66 S   O    _O17    55     1.22110   126.08604   161.04014
   68    64 S   CT   _C17    59     1.51872   113.92076   -85.35574
   69    68 S   HC   _H32    60     1.09562   111.53408   -56.23041
   70    68 S   HC   _H33    61     1.09548   110.55748  -175.35088
   71    68 S   HC   _H34    62     1.09351   111.34881    64.93078
   72    66 S   OS   _O18    56     1.37457   109.75670   -19.66306
  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  12   5   4   3
  26   2   1   1  16  18   7  10   4   5   2   1   1   6   3  10
   3  12  13   6   5   4   2   1   1  10   5  12   6   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    50    51    60    72    38    39    54    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    46    48    49    50    51    52    53    58    60    61    64    66    72    38    39    54    55    56    57    42    43    44    45  
   35    36  
   36  
    0  
   40    41    46    47    48    50    51    60    72    38    39    54    42    43    44    45  
   39    68    62    54    42    40    48    50    51    58    59    60    61    64    65    66    67    72  
   50    58    60    61    64    66    72  
   41    46    47    48    49    50    42    43    44    45  
   46    47    48    42  
   43    44    45    46    50  
   44    45  
   45  
    0  
   47    48    49    50    51    54  
   48    49    50  
   49    50    51    52    53    58    54    55    56    57  
   50    51    54  
   51    52    53    58    59    60    72    62    54    55    56    57  
   52    53    58    59    60    61    64    62    63    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    64    65    66    72    68    62    63  
   60    61    64    62    63  
   61    64    65    66    67    72    68    69    70    71    62    63  
   64    65    66    72    68    62  
   63    64  
    0  
   65    66    67    72    68    69    70    71  
   66    67    72    68    69    70    71  
   67    72    68    69    70    71  
   72    68  
   69    70    71    72  
   70    71  
   71  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   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   3.0000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   340.000  1.080
   48    50   317.000  1.510
   50    51   268.000  1.529
   50    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    38   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    68   268.000  1.529
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    38   320.000  1.410
   38    39   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    50    48    70.00000  112.02700
   33    50    51    58.35000  112.70000
   33    50    54    58.35000  112.70000
   33    38    60    58.35000  112.70000
   33    38    72    50.00000  109.50000
   33    38    39    37.50000  110.70000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    45    35.00000  109.50000
   40    46    47    40.00000  120.50800
   40    46    48    70.00000  117.34000
   46    40    41    65.00000  137.10300
   46    48    49    35.00000  120.00000
   46    48    50    70.00000  124.00000
   48    46    47    35.00000  120.00000
   48    50    51    70.00000  112.02700
   48    50    54    70.00000  112.02700
   50    33    37    70.00000  112.02700
   50    48    49    35.00000  117.00000
   50    51    52    37.50000  110.70000
   50    51    53    37.50000  110.70000
   50    51    58    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    64    58.35000  112.70000
   58    60    38    58.35000  112.70000
   58    62    63    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    63.00000  111.10000
   60    64    68    58.35000  112.70000
   60    38    72    50.00000  109.50000
   60    38    39    37.50000  110.70000
   64    60    61    37.50000  110.70000
   64    66    67    80.00000  120.40000
   64    66    72    81.00000  111.40000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   66    64    65    35.00000  109.50000
   66    72    38    83.00000  116.90000
   72    66    67    83.00000  123.40000
   72    38    39    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    50    58.35000  112.70000
   38    60    61    37.50000  110.70000
   38    60    64    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    64    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
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  109.50000
   54    50    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    37    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    50    48   0.56750  1.0 1.0
   29    33    50    48  -0.07550 -1.0 2.0
   29    33    50    48   0.20000  1.0 3.0
   29    33    50    51   0.44750  1.0 1.0
   29    33    50    51  -0.17800 -1.0 2.0
   29    33    50    51   0.20200  1.0 3.0
   29    33    50    54   0.44750  1.0 1.0
   29    33    50    54  -0.17800 -1.0 2.0
   29    33    50    54   0.20200  1.0 3.0
   29    33    38    60   0.44750  1.0 1.0
   29    33    38    60  -0.17800 -1.0 2.0
   29    33    38    60   0.20200  1.0 3.0
   29    33    38    72   0.56750  1.0 1.0
   29    33    38    72  -0.07550 -1.0 2.0
   29    33    38    72   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    45   0.34800  1.0 3.0
   33    50    51    52   0.15000  1.0 3.0
   33    50    51    53   0.15000  1.0 3.0
   33    50    51    58   0.56750  1.0 1.0
   33    50    51    58  -0.07550 -1.0 2.0
   33    50    51    58   0.20000  1.0 3.0
   33    50    54    55   0.15000  1.0 3.0
   33    50    54    56   0.15000  1.0 3.0
   33    50    54    57   0.15000  1.0 3.0
   37    33    50    48   0.31000  1.0 1.0
   37    33    50    48   0.14700 -1.0 2.0
   37    33    50    48   0.07550  1.0 3.0
   37    33    50    51   0.34400  1.0 1.0
   37    33    50    51   0.09450 -1.0 2.0
   37    33    50    51   0.11100  1.0 3.0
   37    33    50    54   0.34400  1.0 1.0
   37    33    50    54   0.09450 -1.0 2.0
   37    33    50    54   0.11100  1.0 3.0
   37    33    38    60   0.34400  1.0 1.0
   37    33    38    60   0.09450 -1.0 2.0
   37    33    38    60   0.11100  1.0 3.0
   37    33    38    72   0.61850  1.0 1.0
   37    33    38    72  -0.22750 -1.0 2.0
   37    33    38    72   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    40    46    47   7.00000 -1.0 2.0
   37    40   -46    48   7.00000 -1.0 2.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    45   0.00000  1.0 1.0
   40    46    48    49   7.00000 -1.0 2.0
   40    46    48    50   7.00000 -1.0 2.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   46    48   -50    33   0.09850  1.0 1.0
   46    48   -50    33   0.15250 -1.0 2.0
   46    48   -50    33  -0.50650  1.0 3.0
   46    48    50    51   0.09850  1.0 1.0
   46    48    50    51   0.15250 -1.0 2.0
   46    48    50    51  -0.50650  1.0 3.0
   46    48    50    54   0.09850  1.0 1.0
   46    48    50    54   0.15250 -1.0 2.0
   46    48    50    54  -0.50650  1.0 3.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    50    51    52   0.15000  1.0 3.0
   48    50    51    53   0.15000  1.0 3.0
   48    50    51    58   0.34400  1.0 1.0
   48    50    51    58   0.09450 -1.0 2.0
   48    50    51    58   0.11100  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   49    48    50    33   0.00000  1.0 1.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    54   0.00000  1.0 1.0
   50    33   -37    40   0.09850  1.0 1.0
   50    33   -37    40   0.15250 -1.0 2.0
   50    33   -37    40  -0.50650  1.0 3.0
   50    33    37    42   0.46850  1.0 1.0
   50    33    37    42   0.08550 -1.0 2.0
   50    33    37    42   0.09800  1.0 3.0
   50    33    38    60   0.56750  1.0 1.0
   50    33    38    60  -0.07550 -1.0 2.0
   50    33    38    60   0.20000  1.0 3.0
   50    33    38    72   0.62750  1.0 1.0
   50    33    38    72  -0.30950 -1.0 2.0
   50    33    38    72   0.27300  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    51    58    59   0.15000  1.0 3.0
   50    51   -58    60   0.56750  1.0 1.0
   50    51   -58    60  -0.07550 -1.0 2.0
   50    51   -58    60   0.20000  1.0 3.0
   50    51    58    62   0.86500  1.0 1.0
   50    51    58    62  -0.17500 -1.0 2.0
   50    51    58    62   0.20800  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    58    60    61   0.15000  1.0 3.0
   51    58    60    64   0.56750  1.0 1.0
   51    58    60    64  -0.07550 -1.0 2.0
   51    58    60    64   0.20000  1.0 3.0
   51    58    60    38   0.56750  1.0 1.0
   51    58    60    38  -0.07550 -1.0 2.0
   51    58    60    38   0.20000  1.0 3.0
   51    58    62    63  -0.11600  1.0 1.0
   51    58    62    63  -0.09450 -1.0 2.0
   51    58    62    63   0.21250  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    62   0.23400  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    62   0.23400  1.0 3.0
   58    60    64    65   0.15000  1.0 3.0
   58    60    64    66  -0.95700  1.0 1.0
   58    60    64    66  -0.18200 -1.0 2.0
   58    60    64    66   0.29450  1.0 3.0
   58    60    64    68   0.56750  1.0 1.0
   58    60    64    68  -0.07550 -1.0 2.0
   58    60    64    68   0.20000  1.0 3.0
   58    60   -38    33   0.56750  1.0 1.0
   58    60   -38    33  -0.07550 -1.0 2.0
   58    60   -38    33   0.20000  1.0 3.0
   58    60    38    72   0.62750  1.0 1.0
   58    60    38    72  -0.30950 -1.0 2.0
   58    60    38    72   0.27300  1.0 3.0
   58    60    38    39   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    38   0.15000  1.0 3.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.11600  1.0 1.0
   60    58    62    63  -0.09450 -1.0 2.0
   60    58    62    63   0.21250  1.0 3.0
   60    64    66    67   0.30150 -1.0 2.0
   60    64   -66    72   0.36750  1.0 3.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    70   0.15000  1.0 3.0
   60    64    68    71   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66  -0.11250  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    38    33   0.15000  1.0 3.0
   61    60    38    72   0.23400  1.0 3.0
   61    60    38    39   0.15000  1.0 3.0
   64    60    38    33   0.56750  1.0 1.0
   64    60    38    33  -0.07550 -1.0 2.0
   64    60    38    33   0.20000  1.0 3.0
   64    60   -38    72   0.62750  1.0 1.0
   64    60   -38    72  -0.30950 -1.0 2.0
   64    60   -38    72   0.27300  1.0 3.0
   64    60    38    39   0.15000  1.0 3.0
   64    66   -72    38   1.63150  1.0 1.0
   64    66   -72    38   2.92000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    72   0.00000  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   66    64    68    69  -0.11250  1.0 3.0
   66    64    68    70  -0.11250  1.0 3.0
   66    64    68    71  -0.11250  1.0 3.0
   66    72    38    33  -0.25900  1.0 1.0
   66    72    38    33  -0.47000 -1.0 2.0
   66    72    38    33   0.11750  1.0 3.0
   66    72   -38    60  -0.25900  1.0 1.0
   66    72   -38    60  -0.47000 -1.0 2.0
   66    72   -38    60   0.11750  1.0 3.0
   66    72    38    39   0.08050  1.0 3.0
   67    66    72    38   3.00000 -1.0 2.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    50    48   0.34400  1.0 1.0
   38    33    50    48   0.09450 -1.0 2.0
   38    33    50    48   0.11100  1.0 3.0
   38    33   -50    51   0.56750  1.0 1.0
   38    33   -50    51  -0.07550 -1.0 2.0
   38    33   -50    51   0.20000  1.0 3.0
   38    33    50    54   0.56750  1.0 1.0
   38    33    50    54  -0.07550 -1.0 2.0
   38    33    50    54   0.20000  1.0 3.0
   38    60    64    65   0.15000  1.0 3.0
   38    60   -64    66  -0.95700  1.0 1.0
   38    60   -64    66  -0.18200 -1.0 2.0
   38    60   -64    66   0.29450  1.0 3.0
   38    60    64    68   0.56750  1.0 1.0
   38    60    64    68  -0.07550 -1.0 2.0
   38    60    64    68   0.20000  1.0 3.0
   68    64    66    67   0.30150 -1.0 2.0
   68    64    66    72   0.36750  1.0 3.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    64   0.86500  1.0 1.0
   62    58    60    64  -0.17500 -1.0 2.0
   62    58    60    64   0.20800  1.0 3.0
   62    58    60    38   0.86500  1.0 1.0
   62    58    60    38  -0.17500 -1.0 2.0
   62    58    60    38   0.20800  1.0 3.0
   54    50    51    52   0.15000  1.0 3.0
   54    50    51    53   0.15000  1.0 3.0
   54    50    51    58   0.56750  1.0 1.0
   54    50    51    58  -0.07550 -1.0 2.0
   54    50    51    58   0.20000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   64    72    66    67  10.50000 -1.0 2.0
END
