* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     428
    1     0 S   NP   _N1_     1    28.97516    93.35936   -22.74238
    2     1 S   H    _HN1     2     1.02834    22.05341   174.85250
    3     1 S   H    _H1_     3     1.02778   102.45054   -78.07384
    4     1 S   H    _H2_     4     1.02964    89.25818    30.53828
    5     1 S   CT   _CA1     5     1.50126   130.83158   147.22269
    6     5 S   HC   _HA1     6     1.09577   105.22277    69.85948
    7     5 S   CO3  _C1_     7     1.53775   112.42016   -50.30573
    8     7 S   O2Z  _O11     8     1.26354   115.00542   -43.13838
    9     7 S   O2Z  _O12     9     1.26242   114.91952   136.04048
   10     5 S   CT   _CB1    10     1.53092   107.41311  -172.26868
   11    10 S   HC   HB11    11     1.09825   109.25830   -51.15012
   12    10 S   HC   HB12    12     1.09823   110.42992    65.36402
   13    10 S   CT   _CG1    13     1.53018   112.72864  -172.29699
   14    13 S   HC   HG11    14     1.09595   110.40978   -64.52833
   15    13 S   HC   HG12    15     1.09651   110.02070    54.71475
   16    13 S   C    _CD1    16     1.51803   112.29625   174.98343
   17    16 S   O    _OE1    17     1.22731   123.24331    -3.19022
   18    16 S   N    _N2_    18     1.38660   111.68648   177.12581
   19    18 S   H    _HN2    19     1.01591   119.07111     0.70804
   20    18 S   CT1  _CA2    20     1.46079   123.27893   179.78150
   21    20 S   HC   _HA2    21     1.09580   109.24183    -9.68475
   22    20 S   C    _C2_    22     1.53455   108.71666  -124.78101
   23    22 S   O    _O2_    23     1.23029   122.11658  -147.62946
   24    20 S   CT   _CB2    32     1.53390   111.77055   112.74761
   25    24 S   HC   HB21    33     1.09654   109.61126    61.06117
   26    24 S   HC   HB22    34     1.09568   110.92885   178.41193
   27    22 S   N    _N3_    24     1.38475   113.47310    39.97664
   28    27 S   H    _HN3    25     1.01512   118.93653    -0.81972
   29    24 S   S    _SG2    35     1.82871   114.69273   -58.81940
   30    27 S   CT   _CA3    26     1.45446   123.44854   174.58195
   31    30 S   HC   HA31    27     1.09523   109.21241    24.84865
   32    30 S   HC   HA32    28     1.09492   107.12908   141.89792
   33    29 S   CT   _C18    36     1.83675    99.78700   -67.67777
   34    33 S   HC   _H3_    37     1.09239   106.46882   -53.81343
   35    33 S   HC   _H4_    38     1.09259   107.46268    63.21820
   36    30 S   CO3  _C3_    29     1.52946   113.14297   -98.57364
   37    36 S   O2Z  _O31    30     1.26402   115.45318   -42.38559
   38    36 S   O2Z  _O32    31     1.26360   114.94340   138.52306
   39    33 S   CT   _C15    39     1.54294   112.68393  -176.42133
   40    39 S   C3T  _C12    40     1.50634   113.50732    67.00090
   41    40 S   HC   _H30    41     1.07701   118.80447    -0.49811
   42    39 S   OH   _O20    73     1.43937   107.60766   -52.36218
   43    42 S   HO   _H40    74     0.97321   107.26903    57.87165
   44    40 S   C3T  _C11    42     1.48496   110.53791   144.52378
   45    44 S   HC   _H29    43     1.07441   122.40448  -151.60801
   46    44 S   CT   _C14    44     1.52409   109.90464    -3.95042
   47    40 S   O3T  _O18    72     1.43311   113.96965  -151.47674
   48    46 S   CT   _C8_    45     1.56054   111.75759  -138.22245
   49    48 S   HC   _H26    46     1.09568   112.49813   -85.54888
   50    39 S   CT   _C13    55     1.60951   114.96662  -173.60086
   51    46 S   OH   _O19    70     1.42953   107.23725   103.89086
   52    51 S   HO   _H39    71     0.97245   108.02385    53.39476
   53    48 S   CO4  _C4_    47     1.52191   111.46605    37.22265
   54    53 S   O    _O16    48     1.21991   126.76034   -92.80396
   55    50 S   CT   _C17    56     1.55354   106.76703    87.91172
   56    55 S   HC   _H34    57     1.09445   112.87498    69.84492
   57    55 S   HC   _H35    58     1.09706   110.45305   -50.02932
   58    55 S   HC   _H36    59     1.08567   113.32414  -167.85092
   59    53 S   OS   _O17    49     1.37119   108.50728    87.24332
   60    59 S   CT   _C10    50     1.44882   107.67858     1.72136
   61    60 S   HC   _H28    51     1.09467   107.21584   149.10946
   62    60 S   CT   _C7_    52     1.54041   105.92558   -92.07482
   63    62 S   HC   _H24    53     1.09757   108.43174  -142.51703
   64    62 S   HC   _H25    54     1.09469   106.59261   -28.75066
   65    48 S   CT   _C9_    60     1.53423   115.19374   145.93594
   66    65 S   HC   _H27    61     1.10545   106.48189  -177.71441
   67    65 S   CM   _C6_    62     1.50706   122.42418    64.99370
   68    67 S   CM   _C5_    63     1.34314   123.46262    21.03975
   69    68 S   HC   _H22    64     1.08548   121.28438   177.85863
   70    68 S   HC   _H23    65     1.08332   122.22087    -1.21611
   71    67 S   CT   _C16    66     1.50643   116.30038  -163.79188
   72    71 S   HC   _H31    67     1.09501   110.20600   -54.96475
   73    71 S   HC   _H32    68     1.09432   110.79056    65.17933
   74    71 S   HC   _H33    69     1.09530   112.19589  -174.73593
  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   7   5   4   3
  13   5   4   2   1   1  19  12   6   7   1  12   5  20   3  16
   9  14   5   1   8   3   7   3   2   1   8   9   6   5   2   1
   9   3   7   6   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    50    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    62    50    55    47    42    43  
   35    39    40    50    42  
   39    40    50    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    60    62    63    64    50    55    56    57    58    51    47    42    43  
   41    44    45    46    48    62    50    55    51    47    42    43  
   44    45    46    50    47    42  
   43    44    46    47    50    55    62  
   50  
   45    46    48    49    53    62    50    55    65    51    52    47  
   46    48    50    51    47  
   48    49    53    54    59    60    62    63    64    50    55    56    57    58    65    66    67    51    52    47  
   48    50    51  
   49    53    54    59    60    61    62    50    55    65    66    67    68    71    51    52  
   53    54    59    60    50    65    66    67    51  
   55    56    57    58    65    51    52    53    59    60    61    62    63    64  
   52    53    55    62    65  
    0  
   54    59    60    61    62    65    66    67  
   59    60    65  
   56    57    58    60    62    63    64  
   57    58    62  
   58    62  
   62  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65    66    67    68    71  
   62    63    64    65    66    67  
   63    64    65    66    67  
   64    65  
   65  
   66    67    68    69    70    71    72    73    74  
   67    68    71  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   39    40   275.000  1.510
   39    50   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.088
   40    44   260.000  1.509
   40    47   335.000  1.432
   44    45   340.000  1.088
   44    46   275.000  1.510
   44    47   335.000  1.432
   46    48   268.000  1.529
   46    50   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    53   317.000  1.522
   48    65   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    50   268.000  1.529
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   65    66   340.000  1.090
   65    67   317.000  1.510
   67    68   549.000  1.340
   67    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   51    52   553.000  0.945
   42    43   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    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  111.63000
   33    39    40    70.00000  112.37300
   33    39    50    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    40.00000  115.04500
   39    40    44    60.00000  120.94000
   39    40    47    80.00000  116.47100
   39    50    46    58.35000  112.70000
   39    50    62    58.35000  112.70000
   39    50    55    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  117.20000
   40    44    46    60.00000  120.94000
   40    44    47    15.00000   60.43100
   40    47    44    15.00000   59.14900
   44    40    41    37.50000  117.20000
   44    46    48    70.00000  112.37300
   44    46    50    70.00000  112.37300
   44    46    51    50.00000  109.50000
   46    44    45    40.00000  115.04500
   46    48    49    37.50000  110.70000
   46    48    53    63.00000  111.10000
   46    48    65    58.35000  112.70000
   46    50    62    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    51    52    55.00000  108.50000
   48    53    54    80.00000  120.40000
   48    53    59    81.00000  111.40000
   48    65    60    58.35000  112.70000
   48    65    66    37.50000  110.70000
   48    65    67    70.00000  112.02700
   53    48    49    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    65    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    50    58.35000  112.70000
   60    65    66    37.50000  110.70000
   60    65    67    70.00000  112.02700
   62    60    61    37.50000  110.70000
   62    50    55    58.35000  112.70000
   64    62    63    33.00000  107.80000
   50    39    40    70.00000  112.37300
   50    46    48    58.35000  112.70000
   50    62    63    37.50000  110.70000
   50    62    64    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   65    48    49    37.50000  110.70000
   65    48    53    63.00000  111.10000
   65    60    61    37.50000  110.70000
   65    60    62    58.35000  112.70000
   65    67    68    70.00000  124.00000
   65    67    71    65.00000  117.92700
   67    65    66    35.00000  109.50000
   67    68    69    35.00000  120.00000
   67    68    70    35.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    67    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   51    46    48    50.00000  109.50000
   51    46    50    50.00000  109.50000
   47    40    41    50.00000  114.27700
   47    40    44    15.00000   60.43100
   47    44    45    50.00000  114.27700
   47    44    46    80.00000  116.47100
   42    39    40    50.00000  109.50000
   42    39    50    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    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.07850  1.0 1.0
   33    39    40    44  -0.03950 -1.0 2.0
   33    39    40    44   0.67350  1.0 3.0
   33    39    40    47   0.02550  1.0 1.0
   33    39    40    47  -0.02600 -1.0 2.0
   33    39    40    47   1.20400  1.0 3.0
   33    39    50    46   0.56750  1.0 1.0
   33    39    50    46  -0.07550 -1.0 2.0
   33    39    50    46   0.20000  1.0 3.0
   33    39    50    62   0.56750  1.0 1.0
   33    39    50    62  -0.07550 -1.0 2.0
   33    39    50    62   0.20000  1.0 3.0
   33    39    50    55   0.56750  1.0 1.0
   33    39    50    55  -0.07550 -1.0 2.0
   33    39    50    55   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    50   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40   -44    46   0.56750  1.0 1.0
   39    40   -44    46  -0.07550 -1.0 2.0
   39    40   -44    46   0.20000  1.0 3.0
   39    40   -44    47   0.02550  1.0 1.0
   39    40   -44    47  -0.02600 -1.0 2.0
   39    40   -44    47   1.20400  1.0 3.0
   39    40   -47    44   0.06250  1.0 1.0
   39    40   -47    44  -0.01100 -1.0 2.0
   39    40   -47    44   0.28050  1.0 3.0
   39    50    55    56   0.15000  1.0 3.0
   39    50    55    57   0.15000  1.0 3.0
   39    50    55    58   0.15000  1.0 3.0
   40    39   -50    46   0.47050  1.0 1.0
   40    39   -50    46   0.03900 -1.0 2.0
   40    39   -50    46   0.20100  1.0 3.0
   40    39    50    62   0.47050  1.0 1.0
   40    39    50    62   0.03900 -1.0 2.0
   40    39    50    62   0.20100  1.0 3.0
   40    39    50    55   0.47050  1.0 1.0
   40    39    50    55   0.03900 -1.0 2.0
   40    39    50    55   0.20100  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    46    48   0.07850  1.0 1.0
   40    44    46    48  -0.03950 -1.0 2.0
   40    44    46    48   0.67350  1.0 3.0
   40    44   -46    50   0.07850  1.0 1.0
   40    44   -46    50  -0.03950 -1.0 2.0
   40    44   -46    50   0.67350  1.0 3.0
   40    44    46    51   0.86500  1.0 1.0
   40    44    46    51  -0.17500 -1.0 2.0
   40    44    46    51   0.20800  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40   -44    47   0.23400  1.0 3.0
   41    40   -47    44   0.36800  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    53  -0.95700  1.0 1.0
   44    46    48    53  -0.18200 -1.0 2.0
   44    46    48    53   0.29450  1.0 3.0
   44    46    48    65   0.47050  1.0 1.0
   44    46    48    65   0.03900 -1.0 2.0
   44    46    48    65   0.20100  1.0 3.0
   44    46   -50    39   0.47050  1.0 1.0
   44    46   -50    39   0.03900 -1.0 2.0
   44    46   -50    39   0.20100  1.0 3.0
   44    46    50    62   0.47050  1.0 1.0
   44    46    50    62   0.03900 -1.0 2.0
   44    46    50    62   0.20100  1.0 3.0
   44    46    50    55   0.47050  1.0 1.0
   44    46    50    55   0.03900 -1.0 2.0
   44    46    50    55   0.20100  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44   -47    40   0.36800  1.0 3.0
   46    44   -47    40   0.06250  1.0 1.0
   46    44   -47    40  -0.01100 -1.0 2.0
   46    44   -47    40   0.28050  1.0 3.0
   46    48    53    54   0.30150 -1.0 2.0
   46    48    53    59   0.36750  1.0 3.0
   46    48    65    60   0.56750  1.0 1.0
   46    48    65    60  -0.07550 -1.0 2.0
   46    48    65    60   0.20000  1.0 3.0
   46    48    65    66   0.15000  1.0 3.0
   46    48    65    67   0.34400  1.0 1.0
   46    48    65    67   0.09450 -1.0 2.0
   46    48    65    67   0.11100  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   48    46    50    39   0.56750  1.0 1.0
   48    46    50    39  -0.07550 -1.0 2.0
   48    46    50    39   0.20000  1.0 3.0
   48    46    50    62   0.56750  1.0 1.0
   48    46    50    62  -0.07550 -1.0 2.0
   48    46    50    62   0.20000  1.0 3.0
   48    46    50    55   0.56750  1.0 1.0
   48    46    50    55  -0.07550 -1.0 2.0
   48    46    50    55   0.20000  1.0 3.0
   48    46    51    52  -0.11600  1.0 1.0
   48    46    51    52  -0.09450 -1.0 2.0
   48    46    51    52   0.21250  1.0 3.0
   48    53   -59    60   1.63150  1.0 1.0
   48    53   -59    60   2.92000 -1.0 2.0
   48    65    67    68   0.09850  1.0 1.0
   48    65    67    68   0.15250 -1.0 2.0
   48    65    67    68  -0.50650  1.0 3.0
   48    65    67    71   0.46850  1.0 1.0
   48    65    67    71   0.08550 -1.0 2.0
   48    65    67    71   0.09800  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    59   0.00000  1.0 1.0
   49    48    65    60   0.15000  1.0 3.0
   49    48    65    66   0.15000  1.0 3.0
   49    48    65    67   0.15000  1.0 3.0
   53    48   -65    60  -0.95700  1.0 1.0
   53    48   -65    60  -0.18200 -1.0 2.0
   53    48   -65    60   0.29450  1.0 3.0
   53    48    65    66  -0.11250  1.0 3.0
   53    48    65    67  -0.98800  1.0 1.0
   53    48    65    67   0.48800 -1.0 2.0
   53    48    65    67   0.76800  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   53    59   -60    65  -0.25900  1.0 1.0
   53    59   -60    65  -0.47000 -1.0 2.0
   53    59   -60    65   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.23400  1.0 3.0
   59    60    62    50   0.62750  1.0 1.0
   59    60    62    50  -0.30950 -1.0 2.0
   59    60    62    50   0.27300  1.0 3.0
   59    60   -65    48   0.62750  1.0 1.0
   59    60   -65    48  -0.30950 -1.0 2.0
   59    60   -65    48   0.27300  1.0 3.0
   59    60    65    66   0.23400  1.0 3.0
   59    60    65    67   0.61850  1.0 1.0
   59    60    65    67  -0.22750 -1.0 2.0
   59    60    65    67   0.15300  1.0 3.0
   60    62    50    39   0.56750  1.0 1.0
   60    62    50    39  -0.07550 -1.0 2.0
   60    62    50    39   0.20000  1.0 3.0
   60    62   -50    46   0.56750  1.0 1.0
   60    62   -50    46  -0.07550 -1.0 2.0
   60    62   -50    46   0.20000  1.0 3.0
   60    62    50    55   0.56750  1.0 1.0
   60    62    50    55  -0.07550 -1.0 2.0
   60    62    50    55   0.20000  1.0 3.0
   60    65    67    68   0.09850  1.0 1.0
   60    65    67    68   0.15250 -1.0 2.0
   60    65    67    68  -0.50650  1.0 3.0
   60    65    67    71   0.46850  1.0 1.0
   60    65    67    71   0.08550 -1.0 2.0
   60    65    67    71   0.09800  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    50   0.15000  1.0 3.0
   61    60    65    48   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   62    60   -65    48   0.56750  1.0 1.0
   62    60   -65    48  -0.07550 -1.0 2.0
   62    60   -65    48   0.20000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.34400  1.0 1.0
   62    60    65    67   0.09450 -1.0 2.0
   62    60    65    67   0.11100  1.0 3.0
   62    50    55    56   0.15000  1.0 3.0
   62    50    55    57   0.15000  1.0 3.0
   62    50    55    58   0.15000  1.0 3.0
   63    62    50    39   0.15000  1.0 3.0
   63    62    50    46   0.15000  1.0 3.0
   63    62    50    55   0.15000  1.0 3.0
   64    62    50    39   0.15000  1.0 3.0
   64    62    50    46   0.15000  1.0 3.0
   64    62    50    55   0.15000  1.0 3.0
   50    39    40    41   0.15000  1.0 3.0
   50    39   -40    44   0.07850  1.0 1.0
   50    39   -40    44  -0.03950 -1.0 2.0
   50    39   -40    44   0.67350  1.0 3.0
   50    39    40    47   0.02550  1.0 1.0
   50    39    40    47  -0.02600 -1.0 2.0
   50    39    40    47   1.20400  1.0 3.0
   50    39    42    43  -0.11600  1.0 1.0
   50    39    42    43  -0.09450 -1.0 2.0
   50    39    42    43   0.21250  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    53  -0.95700  1.0 1.0
   50    46    48    53  -0.18200 -1.0 2.0
   50    46    48    53   0.29450  1.0 3.0
   50    46    48    65   0.56750  1.0 1.0
   50    46    48    65  -0.07550 -1.0 2.0
   50    46    48    65   0.20000  1.0 3.0
   50    46    51    52  -0.11600  1.0 1.0
   50    46    51    52  -0.09450 -1.0 2.0
   50    46    51    52   0.21250  1.0 3.0
   65    48    53    54   0.30150 -1.0 2.0
   65    48   -53    59   0.36750  1.0 3.0
   65    60    62    63   0.15000  1.0 3.0
   65    60    62    64   0.15000  1.0 3.0
   65    60   -62    50   0.56750  1.0 1.0
   65    60   -62    50  -0.07550 -1.0 2.0
   65    60   -62    50   0.20000  1.0 3.0
   65    67    68    69   7.00000 -1.0 2.0
   65    67    68    70   7.00000 -1.0 2.0
   65    67    71    72   0.34800  1.0 3.0
   65    67    71    73   0.34800  1.0 3.0
   65    67    71    74   0.34800  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    71   0.34800  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   71    67    68    69   7.00000 -1.0 2.0
   71    67    68    70   7.00000 -1.0 2.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    53  -0.09450  1.0 1.0
   51    46    48    53  -1.12950 -1.0 2.0
   51    46    48    53   0.54000  1.0 3.0
   51    46    48    65   0.86500  1.0 1.0
   51    46    48    65  -0.17500 -1.0 2.0
   51    46    48    65   0.20800  1.0 3.0
   51    46    50    39   0.86500  1.0 1.0
   51    46    50    39  -0.17500 -1.0 2.0
   51    46    50    39   0.20800  1.0 3.0
   51    46    50    62   0.86500  1.0 1.0
   51    46    50    62  -0.17500 -1.0 2.0
   51    46    50    62   0.20800  1.0 3.0
   51    46    50    55   0.86500  1.0 1.0
   51    46    50    55  -0.17500 -1.0 2.0
   51    46    50    55   0.20800  1.0 3.0
   47    40   -44    45   0.23400  1.0 3.0
   47    40   -44    46   0.02550  1.0 1.0
   47    40   -44    46  -0.02600 -1.0 2.0
   47    40   -44    46   1.20400  1.0 3.0
   47    44    46    48   0.02550  1.0 1.0
   47    44    46    48  -0.02600 -1.0 2.0
   47    44    46    48   1.20400  1.0 3.0
   47    44   -46    50   0.02550  1.0 1.0
   47    44   -46    50  -0.02600 -1.0 2.0
   47    44   -46    50   1.20400  1.0 3.0
   47    44    46    51   3.69350  1.0 1.0
   47    44    46    51  -1.82950 -1.0 2.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    50    46   0.86500  1.0 1.0
   42    39    50    46  -0.17500 -1.0 2.0
   42    39    50    46   0.20800  1.0 3.0
   42    39    50    62   0.86500  1.0 1.0
   42    39    50    62  -0.17500 -1.0 2.0
   42    39    50    62   0.20800  1.0 3.0
   42    39    50    55   0.86500  1.0 1.0
   42    39    50    55  -0.17500 -1.0 2.0
   42    39    50    55   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
   38    30    36    37  10.50000 -1.0 2.0
   48    59    53    54  10.50000 -1.0 2.0
   65    71    67    68  15.00000 -1.0 2.0
   69    70    68    67  15.00000 -1.0 2.0
END
