* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    147    237     442
    1     0 S   NP   _N1_     1    28.71827    96.01096   -23.94742
    2     1 S   H    _HN1     2     1.02785   107.75139   -91.84477
    3     1 S   H    _H1_     3     1.02949    74.18845    12.82441
    4     1 S   H    _H2_     4     1.02828    35.03170   172.11198
    5     1 S   CT   _CA1     5     1.50110   135.12178   116.06984
    6     5 S   HC   _HA1     6     1.09572   105.19727    89.85172
    7     5 S   CO3  _C1_     7     1.53792   112.48674   -30.39345
    8     7 S   O2Z  _O11     8     1.26372   115.00736   -41.90954
    9     7 S   O2Z  _O12     9     1.26241   114.95412   137.25626
   10     5 S   CT   _CB1    10     1.53082   107.42480  -152.13953
   11    10 S   HC   HB11    11     1.09832   109.39063   -49.55095
   12    10 S   HC   HB12    12     1.09813   110.43520    67.06526
   13    10 S   CT   _CG1    13     1.52987   112.60181  -170.52414
   14    13 S   HC   HG11    14     1.09581   110.63241   -65.48333
   15    13 S   HC   HG12    15     1.09670   109.78480    53.74777
   16    13 S   C    _CD1    16     1.51796   112.24342   174.22250
   17    16 S   O    _OE1    17     1.22727   123.29428     6.89822
   18    16 S   N    _N2_    18     1.38653   111.65778  -173.22054
   19    18 S   H    _HN2    19     1.01580   118.92174     1.91213
   20    18 S   CT1  _CA2    20     1.46197   123.40486   177.61247
   21    20 S   HC   _HA2    21     1.09735   109.37877     3.00720
   22    20 S   C    _C2_    22     1.53554   108.63801  -112.50381
   23    22 S   O    _O2_    23     1.23061   122.26200  -147.94475
   24    20 S   CT   _CB2    32     1.53330   111.52144   125.04420
   25    24 S   HC   HB21    33     1.09488   109.96380    56.26528
   26    24 S   HC   HB22    34     1.09520   110.16877   175.24017
   27    22 S   N    _N3_    24     1.38322   113.72389    39.49632
   28    27 S   H    _HN3    25     1.01582   119.59610    -3.27255
   29    24 S   S    _SG2    35     1.82822   111.49242   -65.17952
   30    27 S   CT   _CA3    26     1.45288   123.21869   177.14426
   31    30 S   HC   HA31    27     1.09549   107.50622   -64.69847
   32    30 S   HC   HA32    28     1.09556   107.99102    51.74240
   33    29 S   CT   _C13    36     1.84349    99.71860   179.28399
   34    33 S   HC   _H3_    37     1.09554   106.30920    35.59930
   35    30 S   CO3  _C3_    29     1.52962   114.07576   173.74229
   36    35 S   O2Z  _O31    30     1.26377   116.06813    -0.68813
   37    35 S   O2Z  _O32    31     1.26428   114.41261   179.37380
   38    33 S   CT   _C6_    38     1.53086   109.55616   -80.93087
   39    38 S   HC   _H21    39     1.09558   111.17922    52.88642
   40    38 S   HC   _H22    40     1.09583   112.04108   -68.03942
   41    38 S   CO4  _C4_    41     1.51927   110.14979   171.29931
   42    41 S   O    _O16    42     1.23230   120.34498  -143.37117
   43    41 S   CT   _C14    43     1.53664   117.84054    37.20555
   44    43 S   CT   _C8_    44     1.56131   108.38642   139.27598
   45    44 S   HC   _H25    45     1.09762   110.51954    68.13264
   46    44 S   HC   _H26    46     1.09914   109.01089   -47.49351
   47    43 S   CT   _C11    59     1.56602   107.88081    20.25869
   48    47 S   HC   _H29    60     1.10362   106.08934    57.60462
   49    43 S   CT   _C17    72     1.53950   107.54789  -103.71099
   50    49 S   HC   _H35    73     1.09338   112.39834   174.98390
   51    49 S   HC   _H36    74     1.09200   112.75761    52.79435
   52    49 S   HC   _H37    75     1.09708   110.62838   -65.25354
   53    44 S   CT   _C7_    47     1.53755   114.06678  -168.76840
   54    53 S   HC   _H23    48     1.09565   109.49546   174.74163
   55    53 S   HC   _H24    49     1.09589   110.29392   -67.82986
   56    33 S   CT   _C15    61     1.56592   112.85886   154.01277
   57    53 S   CT   _C10    50     1.51531   108.84599    54.05130
   58    57 S   HC   _H28    51     1.10174   108.42805    60.55530
   59    56 S   CT   _C18    62     1.53616   110.14140   -81.27030
   60    59 S   HC   _H38    63     1.09613   110.82712    54.40556
   61    59 S   HC   _H39    64     1.09220   112.52833   -66.38965
   62    59 S   HC   _H40    65     1.09491   111.73334   171.35378
   63    56 S   OH   _O19    66     1.44022   110.41065    34.41562
   64    63 S   HO   _H41    67     0.97225   108.16143    42.52922
   65    57 S   CT   _C9_    52     1.51610   119.26343  -175.26021
   66    65 S   HC   _H27    53     1.09616   111.71450    45.65709
   67    65 S   CO4  _C5_    54     1.51984    99.41946   159.91026
   68    67 S   O    _O17    55     1.22083   126.20125   159.89256
   69    65 S   CT   _C16    68     1.51689   113.25472   -80.29772
   70    69 S   HC   _H32    69     1.09560   111.59395   -58.32247
   71    69 S   HC   _H33    70     1.09528   110.52953  -177.49290
   72    69 S   HC   _H34    71     1.09438   111.00649    62.61465
   73    67 S   OS   _O18    56     1.37907   109.47236   -20.51676
   74    57 S   CT   _C12    57     1.51493   110.87373   -59.58397
   75    74 S   HC   _H30    58     1.09787   111.57617   -58.24299
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  11   5   4  14   4  19  16   7   6  20   8
   6   2   1   1  11   5   4  10  12   7   6   3   2   1   2   1
  10   8   8   3   5   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    56    59    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    74    47    48    56    59    60    61    62    63    64  
   38    39    40    41    47    56    59    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    56    59    63    49  
   40    41    42    43    56  
   41    42    43    56  
   42    43    44    45    46    53    74    47    48    56    49    50    51    52  
   43    44    47    49  
   44    45    46    53    54    55    57    73    74    75    47    48    56    59    63    49    50    51    52  
   45    46    53    54    55    57    58    65    74    47    48    56    49    50    51    52  
   46    53    54    55    57    47    49  
   53    54    55    57    47    49  
   48    56    59    60    61    62    63    64    49    50    51    52    53    57    58    65    67    73    74    75  
   56    59    63    49    57    73    74    75  
   50    51    52    53    56    74  
   51    52  
   52  
    0  
   54    55    57    58    65    66    67    73    74    75    69  
   55    57    58    65    74  
   57    58    65    74  
   59    60    61    62    63    64    57    73    74    75  
   58    65    66    67    68    73    74    75    69    70    71    72  
   65    66    67    73    74    75    69  
   60    61    62    63    64    74  
   61    62    63  
   62    63  
   63  
   64    74  
    0  
   66    67    68    73    74    75    69    70    71    72  
   67    68    73    74    69    70    71    72  
   68    73    74    75    69    70    71    72  
   73    74    69  
   70    71    72    73    74  
   71    72  
   72  
    0  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    49   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   57    74   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    69   268.000  1.529
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    47   268.000  1.529
   47    48   340.000  1.090
   47    56   268.000  1.529
   56    59   268.000  1.529
   56    63   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    56    47    58.35000  112.70000
   33    56    59    58.35000  112.70000
   33    56    63    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    47    63.00000  111.10000
   41    43    49    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    53    58.35000  112.70000
   43    47    74    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    56    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    57    58.35000  112.70000
   46    44    45    33.00000  107.80000
   53    44    45    37.50000  110.70000
   53    44    46    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    65    58.35000  112.70000
   53    57    74    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    63.00000  111.10000
   57    65    69    58.35000  112.70000
   57    74    73    50.00000  109.50000
   57    74    75    37.50000  110.70000
   57    74    47    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    67    68    80.00000  120.40000
   65    67    73    81.00000  111.40000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    65    66    35.00000  109.50000
   67    73    74    83.00000  116.90000
   73    67    68    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    47    50.00000  109.50000
   74    57    58    37.50000  110.70000
   74    57    65    58.35000  112.70000
   74    47    48    37.50000  110.70000
   74    47    56    58.35000  112.70000
   47    43    44    58.35000  112.70000
   47    74    75    37.50000  110.70000
   47    56    59    58.35000  112.70000
   47    56    63    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   56    63    64    55.00000  108.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    59    50.00000  109.50000
   69    65    66    37.50000  110.70000
   69    65    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    43    44    58.35000  112.70000
   49    43    47    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    59   0.44750  1.0 1.0
   29    33    56    59  -0.17800 -1.0 2.0
   29    33    56    59   0.20200  1.0 3.0
   29    33    56    63   0.56750  1.0 1.0
   29    33    56    63  -0.07550 -1.0 2.0
   29    33    56    63   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    56    59    60   0.15000  1.0 3.0
   33    56    59    61   0.15000  1.0 3.0
   33    56    59    62   0.15000  1.0 3.0
   33    56    63    64  -0.11600  1.0 1.0
   33    56    63    64  -0.09450 -1.0 2.0
   33    56    63    64   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    59   0.15000  1.0 3.0
   34    33    56    63   0.23400  1.0 3.0
   38    33    56    47   0.56750  1.0 1.0
   38    33    56    47  -0.07550 -1.0 2.0
   38    33    56    47   0.20000  1.0 3.0
   38    33    56    59   0.56750  1.0 1.0
   38    33    56    59  -0.07550 -1.0 2.0
   38    33    56    59   0.20000  1.0 3.0
   38    33    56    63   0.86500  1.0 1.0
   38    33    56    63  -0.17500 -1.0 2.0
   38    33    56    63   0.20800  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    47   0.60050  1.0 1.0
   38    41   -43    47   0.05600 -1.0 2.0
   38    41   -43    47   0.26150  1.0 3.0
   38    41    43    49   0.60050  1.0 1.0
   38    41    43    49   0.05600 -1.0 2.0
   38    41    43    49   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    46  -0.11250  1.0 3.0
   41    43    44    53  -0.95700  1.0 1.0
   41    43    44    53  -0.18200 -1.0 2.0
   41    43    44    53   0.29450  1.0 3.0
   41    43    47    74  -0.95700  1.0 1.0
   41    43    47    74  -0.18200 -1.0 2.0
   41    43    47    74   0.29450  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    56  -0.95700  1.0 1.0
   41    43    47    56  -0.18200 -1.0 2.0
   41    43    47    56   0.29450  1.0 3.0
   41    43    49    50  -0.11250  1.0 3.0
   41    43    49    51  -0.11250  1.0 3.0
   41    43    49    52  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   42    41    43    49   0.30150 -1.0 2.0
   43    44    53    54   0.15000  1.0 3.0
   43    44    53    55   0.15000  1.0 3.0
   43    44    53    57   0.56750  1.0 1.0
   43    44    53    57  -0.07550 -1.0 2.0
   43    44    53    57   0.20000  1.0 3.0
   43    47   -56    33   0.56750  1.0 1.0
   43    47   -56    33  -0.07550 -1.0 2.0
   43    47   -56    33   0.20000  1.0 3.0
   43    47    56    59   0.56750  1.0 1.0
   43    47    56    59  -0.07550 -1.0 2.0
   43    47    56    59   0.20000  1.0 3.0
   43    47    56    63   0.86500  1.0 1.0
   43    47    56    63  -0.17500 -1.0 2.0
   43    47    56    63   0.20800  1.0 3.0
   44    43    47    74   0.56750  1.0 1.0
   44    43    47    74  -0.07550 -1.0 2.0
   44    43    47    74   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    56   0.56750  1.0 1.0
   44    43    47    56  -0.07550 -1.0 2.0
   44    43    47    56   0.20000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   44    53    57    58   0.15000  1.0 3.0
   44    53    57    65   0.56750  1.0 1.0
   44    53    57    65  -0.07550 -1.0 2.0
   44    53    57    65   0.20000  1.0 3.0
   44    53   -57    74   0.56750  1.0 1.0
   44    53   -57    74  -0.07550 -1.0 2.0
   44    53   -57    74   0.20000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    57   0.15000  1.0 3.0
   46    44    53    54   0.15000  1.0 3.0
   46    44    53    55   0.15000  1.0 3.0
   46    44    53    57   0.15000  1.0 3.0
   53    57    65    66   0.15000  1.0 3.0
   53    57    65    67  -0.95700  1.0 1.0
   53    57    65    67  -0.18200 -1.0 2.0
   53    57    65    67   0.29450  1.0 3.0
   53    57    65    69   0.56750  1.0 1.0
   53    57    65    69  -0.07550 -1.0 2.0
   53    57    65    69   0.20000  1.0 3.0
   53    57    74    73   0.62750  1.0 1.0
   53    57    74    73  -0.30950 -1.0 2.0
   53    57    74    73   0.27300  1.0 3.0
   53    57    74    75   0.15000  1.0 3.0
   53    57    74    47   0.56750  1.0 1.0
   53    57    74    47  -0.07550 -1.0 2.0
   53    57    74    47   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    65   0.15000  1.0 3.0
   54    53    57    74   0.15000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    65   0.15000  1.0 3.0
   55    53    57    74   0.15000  1.0 3.0
   57    65    67    68   0.30150 -1.0 2.0
   57    65   -67    73   0.36750  1.0 3.0
   57    65    69    70   0.15000  1.0 3.0
   57    65    69    71   0.15000  1.0 3.0
   57    65    69    72   0.15000  1.0 3.0
   57    74   -47    43   0.56750  1.0 1.0
   57    74   -47    43  -0.07550 -1.0 2.0
   57    74   -47    43   0.20000  1.0 3.0
   57    74    47    48   0.15000  1.0 3.0
   57    74    47    56   0.56750  1.0 1.0
   57    74    47    56  -0.07550 -1.0 2.0
   57    74    47    56   0.20000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67  -0.11250  1.0 3.0
   58    57    65    69   0.15000  1.0 3.0
   58    57    74    73   0.23400  1.0 3.0
   58    57    74    75   0.15000  1.0 3.0
   58    57    74    47   0.15000  1.0 3.0
   65    57   -74    73   0.62750  1.0 1.0
   65    57   -74    73  -0.30950 -1.0 2.0
   65    57   -74    73   0.27300  1.0 3.0
   65    57    74    75   0.15000  1.0 3.0
   65    57    74    47   0.56750  1.0 1.0
   65    57    74    47  -0.07550 -1.0 2.0
   65    57    74    47   0.20000  1.0 3.0
   65    67   -73    74   1.63150  1.0 1.0
   65    67   -73    74   2.92000 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    73   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   67    65    69    70  -0.11250  1.0 3.0
   67    65    69    71  -0.11250  1.0 3.0
   67    65    69    72  -0.11250  1.0 3.0
   67    73   -74    57  -0.25900  1.0 1.0
   67    73   -74    57  -0.47000 -1.0 2.0
   67    73   -74    57   0.11750  1.0 3.0
   67    73    74    75   0.08050  1.0 3.0
   67    73    74    47  -0.25900  1.0 1.0
   67    73    74    47  -0.47000 -1.0 2.0
   67    73    74    47   0.11750  1.0 3.0
   68    67    73    74   3.00000 -1.0 2.0
   73    74    47    43   0.62750  1.0 1.0
   73    74    47    43  -0.30950 -1.0 2.0
   73    74    47    43   0.27300  1.0 3.0
   73    74    47    48   0.23400  1.0 3.0
   73    74    47    56   0.62750  1.0 1.0
   73    74    47    56  -0.30950 -1.0 2.0
   73    74    47    56   0.27300  1.0 3.0
   74    57    65    66   0.15000  1.0 3.0
   74    57   -65    67  -0.95700  1.0 1.0
   74    57   -65    67  -0.18200 -1.0 2.0
   74    57   -65    67   0.29450  1.0 3.0
   74    57    65    69   0.56750  1.0 1.0
   74    57    65    69  -0.07550 -1.0 2.0
   74    57    65    69   0.20000  1.0 3.0
   74    47    56    33   0.56750  1.0 1.0
   74    47    56    33  -0.07550 -1.0 2.0
   74    47    56    33   0.20000  1.0 3.0
   74    47    56    59   0.56750  1.0 1.0
   74    47    56    59  -0.07550 -1.0 2.0
   74    47    56    59   0.20000  1.0 3.0
   74    47    56    63   0.86500  1.0 1.0
   74    47    56    63  -0.17500 -1.0 2.0
   74    47    56    63   0.20800  1.0 3.0
   75    74    47    43   0.15000  1.0 3.0
   75    74    47    48   0.15000  1.0 3.0
   75    74    47    56   0.15000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43   -44    53   0.56750  1.0 1.0
   47    43   -44    53  -0.07550 -1.0 2.0
   47    43   -44    53   0.20000  1.0 3.0
   47    43    49    50   0.15000  1.0 3.0
   47    43    49    51   0.15000  1.0 3.0
   47    43    49    52   0.15000  1.0 3.0
   47    56    59    60   0.15000  1.0 3.0
   47    56    59    61   0.15000  1.0 3.0
   47    56    59    62   0.15000  1.0 3.0
   47    56    63    64  -0.11600  1.0 1.0
   47    56    63    64  -0.09450 -1.0 2.0
   47    56    63    64   0.21250  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    59   0.15000  1.0 3.0
   48    47    56    63   0.23400  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41  -0.95700  1.0 1.0
   56    33   -38    41  -0.18200 -1.0 2.0
   56    33   -38    41   0.29450  1.0 3.0
   59    56    63    64  -0.11600  1.0 1.0
   59    56    63    64  -0.09450 -1.0 2.0
   59    56    63    64   0.21250  1.0 3.0
   63    56    59    60   0.23400  1.0 3.0
   63    56    59    61   0.23400  1.0 3.0
   63    56    59    62   0.23400  1.0 3.0
   69    65    67    68   0.30150 -1.0 2.0
   69    65    67    73   0.36750  1.0 3.0
   49    43    44    45   0.15000  1.0 3.0
   49    43    44    46   0.15000  1.0 3.0
   49    43    44    53   0.56750  1.0 1.0
   49    43    44    53  -0.07550 -1.0 2.0
   49    43    44    53   0.20000  1.0 3.0
   49    43    47    74   0.56750  1.0 1.0
   49    43    47    74  -0.07550 -1.0 2.0
   49    43    47    74   0.20000  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    56   0.56750  1.0 1.0
   49    43    47    56  -0.07550 -1.0 2.0
   49    43    47    56   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   65    73    67    68  10.50000 -1.0 2.0
END
