* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    232     430
    1     0 S   NP   _N1_     1    28.65704    95.58180   -23.11738
    2     1 S   H    _HN1     2     1.02779   101.22041   -77.67725
    3     1 S   H    _H1_     3     1.02954    76.33933    28.73257
    4     1 S   H    _H2_     4     1.02827    35.82134   177.19774
    5     1 S   CT   _CA1     5     1.50123   140.55785   134.30432
    6     5 S   HC   _HA1     6     1.09577   105.18442    84.35529
    7     5 S   CO3  _C1_     7     1.53783   112.47934   -35.79795
    8     7 S   O2Z  _O11     8     1.26367   114.98498   -41.50829
    9     7 S   O2Z  _O12     9     1.26246   114.93775   137.59235
   10     5 S   CT   _CB1    10     1.53086   107.41368  -157.71305
   11    10 S   HC   HB11    11     1.09829   109.29229   -50.26079
   12    10 S   HC   HB12    12     1.09815   110.46323    66.32564
   13    10 S   CT   _CG1    13     1.52974   112.63500  -171.30503
   14    13 S   HC   HG11    14     1.09599   110.55005   -66.29306
   15    13 S   HC   HG12    15     1.09674   109.85164    52.92590
   16    13 S   C    _CD1    16     1.51807   112.34252   173.28899
   17    16 S   O    _OE1    17     1.22715   123.35757     4.00722
   18    16 S   N    _N2_    18     1.38623   111.55456  -176.00718
   19    18 S   H    _HN2    19     1.01588   118.87306     1.43640
   20    18 S   CT1  _CA2    20     1.46186   123.46762   177.90277
   21    20 S   HC   _HA2    21     1.09739   109.46488    -4.24002
   22    20 S   C    _C2_    22     1.53493   108.31019  -119.61857
   23    22 S   O    _O2_    23     1.23033   122.35662  -147.74510
   24    20 S   CT   _CB2    32     1.53499   111.44466   118.01401
   25    24 S   HC   HB21    33     1.09063   109.38285    55.55188
   26    24 S   HC   HB22    34     1.09222   109.59047   173.41975
   27    22 S   N    _N3_    24     1.38348   113.53621    39.70590
   28    27 S   H    _HN3    25     1.01622   119.51869    -3.52909
   29    24 S   S    _SG2    35     1.82919   110.94035   -67.39838
   30    27 S   CT   _CA3    26     1.45288   123.19127   177.04428
   31    30 S   HC   HA31    27     1.09550   107.51010   -64.33343
   32    30 S   HC   HA32    28     1.09556   107.97932    52.09823
   33    29 S   CT   _C15    36     1.89263   104.09369   161.52752
   34    30 S   CO3  _C3_    29     1.52951   114.08260   174.07117
   35    34 S   O2Z  _O31    30     1.26374   116.04269    -1.37814
   36    34 S   O2Z  _O32    31     1.26425   114.41999   178.69494
   37    33 S   CT   _C10    37     1.56156   109.32302   -87.05905
   38    37 S   HC   _H27    38     1.09959   110.66466   177.21990
   39    33 S   CT   _C13    58     1.56150   113.21598    42.13620
   40    39 S   HC   _H30    59     1.09434   109.67793   -48.52848
   41    37 S   CO4  _C7_    39     1.51958   101.31027   -72.89457
   42    41 S   O    _O17    40     1.22003   127.03424   156.17836
   43    39 S   OH   _O19    60     1.44074   107.44829  -161.28830
   44    43 S   HO   _H39    61     0.97342   107.74525   162.07006
   45    37 S   CT   _C18    70     1.52084   118.93759    51.38876
   46    45 S   HC   _H37    71     1.09265   110.69599    50.82161
   47    45 S   HC   _H38    72     1.09357   112.61053   -73.05024
   48    41 S   OS   _O18    41     1.37204   108.73639   -24.98728
   49    45 S   OH   _O20    73     1.42672   108.98343   167.71231
   50    49 S   HO   _H40    74     0.97248   107.13871   177.35115
   51    33 S   CT   _C12    42     1.55368   109.50628   168.62828
   52    51 S   HC   _H29    43     1.09860   110.81168  -179.53522
   53    51 S   CT   _C8_    44     1.53274   119.22368   -53.65573
   54    53 S   HC   _H24    45     1.09881   108.44431   152.19023
   55    53 S   HC   _H25    46     1.09363   110.94543    39.93377
   56    53 S   CT   _C11    47     1.55202   115.37056   -84.64985
   57    56 S   HC   _H28    48     1.09823   107.72863   145.92315
   58    56 S   CT   _C9_    49     1.54630   114.09157    24.23242
   59    58 S   HC   _H26    50     1.09911   107.35611   -70.66269
   60    56 S   CT   _C16    66     1.54019   108.57728   -99.59301
   61    60 S   HC   _H31    67     1.09531   111.17287    64.99935
   62    60 S   HC   _H32    68     1.09571   110.76769   -55.05195
   63    60 S   HC   _H33    69     1.09367   111.77192  -173.95230
   64    58 S   CM   _C5_    51     1.51054   115.93021   173.73972
   65    64 S   HC   _H23    52     1.08177   123.30632    39.91230
   66    64 S   CM   _C4_    53     1.33462   114.41391  -146.52057
   67    66 S   HC   _H22    54     1.07518   128.86643  -175.25513
   68    66 S   CO4  _C6_    55     1.47083   105.34977     4.59708
   69    68 S   O    _O16    56     1.22213   122.77984  -170.12558
   70    58 S   CT   _C14    57     1.55602   115.66083    52.76766
   71    70 S   CT   _C17    62     1.54203   113.89011    41.76181
   72    71 S   HC   _H34    63     1.08842   113.64857   -67.03142
   73    71 S   HC   _H35    64     1.09511   110.82615   170.86255
   74    71 S   HC   _H36    65     1.09741   111.69256    53.02881
  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  13   5   4   3
  23   2   1   1  16   9  21   7   9   3   6   1   6   3   2   6
   1   1   9   4  12   5   4  13   8  16   7   5   2   1   1   7
   4   5   3   6   2   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    48    51    52    53    70    39    40    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    48    51    52    53    54    55    56    58    68    70    39    40    43    44    71    45    46    47    49  
   35    36  
   36  
    0  
   38    41    42    48    51    52    53    70    39    40    43    45    46    47    49    50  
   41    42    48    51    39    45    46    47    49  
   40    43    44    71    72    73    74    45    41    48    51    52    53    56    58    59    64    66    68    69    70  
   43    44    71    51    58    68    70  
   42    48    51    52    53    45    46    47    49  
   48    51    45  
   44    71    51    58    68    70  
   70  
   46    47    49    50    48    51  
   47    49    50  
   49    50  
   51    52    53    54    55    56  
   50  
    0  
   52    53    54    55    56    57    58    70    60  
   53    54    55    56  
   54    55    56    57    58    59    64    70    60    61    62    63  
   55    56    57    58    60  
   56    57    58    60  
   57    58    59    64    65    66    68    70    71    60    61    62    63  
   58    59    64    70    60    61    62    63  
   59    64    65    66    67    68    69    70    71    72    73    74    60    61    62    63  
   64    65    66    68    70    71    60  
   61    62    63    64    70  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72    73    74  
   70    71  
   71    72    73    74  
   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   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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    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   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    45   268.000  1.529
   41    42   570.000  1.229
   41    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   268.000  1.529
   58    59   340.000  1.090
   58    64   317.000  1.510
   58    70   268.000  1.529
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   340.000  1.080
   66    68   320.000  1.462
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    39   268.000  1.529
   70    71   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   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    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  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    51    48    50.00000  109.50000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    48    81.00000  111.40000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    49    50.00000  109.50000
   41    37    38    35.00000  109.50000
   41    48    51    83.00000  116.90000
   48    41    42    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    50.00000  109.50000
   51    33    37    58.35000  112.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    60    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    64    70.00000  112.02700
   56    58    70    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   58    56    57    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    66    70.00000  124.00000
   58    70    68    63.00000  111.10000
   58    70    39    58.35000  112.70000
   58    70    71    58.35000  112.70000
   64    58    59    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    65.00000  118.96000
   66    64    65    35.00000  120.00000
   66    68    69    80.00000  123.72100
   66    68    70    65.00000  118.62400
   68    66    67    40.00000  117.72500
   68    70    39    63.00000  111.10000
   68    70    71    63.00000  111.10000
   70    58    59    37.50000  110.70000
   70    58    64    70.00000  112.02700
   70    68    69    80.00000  120.40000
   70    39    40    37.50000  110.70000
   70    39    43    50.00000  109.50000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    74    37.50000  110.70000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   71    70    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    41    63.00000  111.10000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    48   0.36750  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    49   0.86500  1.0 1.0
   33    37    45    49  -0.17500 -1.0 2.0
   33    37    45    49   0.20800  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.56750  1.0 1.0
   33    51    53    56  -0.07550 -1.0 2.0
   33    51    53    56   0.20000  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   37    33   -51    48   0.62750  1.0 1.0
   37    33   -51    48  -0.30950 -1.0 2.0
   37    33   -51    48   0.27300  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.56750  1.0 1.0
   37    33    51    53  -0.07550 -1.0 2.0
   37    33    51    53   0.20000  1.0 3.0
   37    33    39    70   0.56750  1.0 1.0
   37    33    39    70  -0.07550 -1.0 2.0
   37    33    39    70   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.86500  1.0 1.0
   37    33    39    43  -0.17500 -1.0 2.0
   37    33    39    43   0.20800  1.0 3.0
   37    41   -48    51   1.63150  1.0 1.0
   37    41   -48    51   2.92000 -1.0 2.0
   37    45    49    50  -0.11600  1.0 1.0
   37    45    49    50  -0.09450 -1.0 2.0
   37    45    49    50   0.21250  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    49   0.23400  1.0 3.0
   41    37    45    46  -0.11250  1.0 3.0
   41    37    45    47  -0.11250  1.0 3.0
   41    37    45    49  -0.09450  1.0 1.0
   41    37    45    49  -1.12950 -1.0 2.0
   41    37    45    49   0.54000  1.0 3.0
   41    48   -51    33  -0.25900  1.0 1.0
   41    48   -51    33  -0.47000 -1.0 2.0
   41    48   -51    33   0.11750  1.0 3.0
   41    48    51    52   0.08050  1.0 3.0
   41    48    51    53  -0.25900  1.0 1.0
   41    48    51    53  -0.47000 -1.0 2.0
   41    48    51    53   0.11750  1.0 3.0
   42    41    48    51   3.00000 -1.0 2.0
   48    51    53    54   0.23400  1.0 3.0
   48    51    53    55   0.23400  1.0 3.0
   48    51    53    56   0.62750  1.0 1.0
   48    51    53    56  -0.30950 -1.0 2.0
   48    51    53    56   0.27300  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    41  -0.95700  1.0 1.0
   51    33   -37    41  -0.18200 -1.0 2.0
   51    33   -37    41   0.29450  1.0 3.0
   51    33    37    45   0.56750  1.0 1.0
   51    33    37    45  -0.07550 -1.0 2.0
   51    33    37    45   0.20000  1.0 3.0
   51    33    39    70   0.56750  1.0 1.0
   51    33    39    70  -0.07550 -1.0 2.0
   51    33    39    70   0.20000  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    43   0.86500  1.0 1.0
   51    33    39    43  -0.17500 -1.0 2.0
   51    33    39    43   0.20800  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.56750  1.0 1.0
   51    53    56    58  -0.07550 -1.0 2.0
   51    53    56    58   0.20000  1.0 3.0
   51    53    56    60   0.56750  1.0 1.0
   51    53    56    60  -0.07550 -1.0 2.0
   51    53    56    60   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    64   0.34400  1.0 1.0
   53    56    58    64   0.09450 -1.0 2.0
   53    56    58    64   0.11100  1.0 3.0
   53    56    58    70   0.56750  1.0 1.0
   53    56    58    70  -0.07550 -1.0 2.0
   53    56    58    70   0.20000  1.0 3.0
   53    56    60    61   0.15000  1.0 3.0
   53    56    60    62   0.15000  1.0 3.0
   53    56    60    63   0.15000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    60   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    60   0.15000  1.0 3.0
   56    58    64    65   0.00000  1.0 1.0
   56    58    64    66   0.09850  1.0 1.0
   56    58    64    66   0.15250 -1.0 2.0
   56    58    64    66  -0.50650  1.0 3.0
   56    58    70    68  -0.95700  1.0 1.0
   56    58    70    68  -0.18200 -1.0 2.0
   56    58    70    68   0.29450  1.0 3.0
   56    58    70    39   0.56750  1.0 1.0
   56    58    70    39  -0.07550 -1.0 2.0
   56    58    70    39   0.20000  1.0 3.0
   56    58    70    71   0.56750  1.0 1.0
   56    58    70    71  -0.07550 -1.0 2.0
   56    58    70    71   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    64   0.15000  1.0 3.0
   57    56    58    70   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   58    64    66    67   7.00000 -1.0 2.0
   58    64   -66    68   7.00000 -1.0 2.0
   58    70    39    33   0.56750  1.0 1.0
   58    70    39    33  -0.07550 -1.0 2.0
   58    70    39    33   0.20000  1.0 3.0
   58    70    39    40   0.15000  1.0 3.0
   58    70    39    43   0.86500  1.0 1.0
   58    70    39    43  -0.17500 -1.0 2.0
   58    70    39    43   0.20800  1.0 3.0
   58    70    71    72   0.15000  1.0 3.0
   58    70    71    73   0.15000  1.0 3.0
   58    70    71    74   0.15000  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    70    68  -0.11250  1.0 3.0
   59    58    70    39   0.15000  1.0 3.0
   59    58    70    71   0.15000  1.0 3.0
   64    58   -70    68  -0.98800  1.0 1.0
   64    58   -70    68   0.48800 -1.0 2.0
   64    58   -70    68   0.76800  1.0 3.0
   64    58    70    39   0.34400  1.0 1.0
   64    58    70    39   0.09450 -1.0 2.0
   64    58    70    39   0.11100  1.0 3.0
   64    58    70    71   0.34400  1.0 1.0
   64    58    70    71   0.09450 -1.0 2.0
   64    58    70    71   0.11100  1.0 3.0
   64    66    68    69   1.00000 -1.0 2.0
   64    66   -68    70  -0.33500  1.0 1.0
   64    66   -68    70   1.06600 -1.0 2.0
   64    66   -68    70  -0.14000  1.0 3.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    68   7.00000 -1.0 2.0
   66    68   -70    58   0.65300  1.0 1.0
   66    68   -70    58  -0.03850 -1.0 2.0
   66    68   -70    58   0.33900  1.0 3.0
   66    68    70    39   0.65300  1.0 1.0
   66    68    70    39  -0.03850 -1.0 2.0
   66    68    70    39   0.33900  1.0 3.0
   66    68    70    71   0.65300  1.0 1.0
   66    68    70    71  -0.03850 -1.0 2.0
   66    68    70    71   0.33900  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.04550  1.0 1.0
   67    66    68    70   0.83000 -1.0 2.0
   67    66    68    70  -0.04000  1.0 3.0
   68    70    39    33  -0.95700  1.0 1.0
   68    70    39    33  -0.18200 -1.0 2.0
   68    70    39    33   0.29450  1.0 3.0
   68    70    39    40  -0.11250  1.0 3.0
   68    70    39    43  -0.09450  1.0 1.0
   68    70    39    43  -1.12950 -1.0 2.0
   68    70    39    43   0.54000  1.0 3.0
   68    70    71    72  -0.11250  1.0 3.0
   68    70    71    73  -0.11250  1.0 3.0
   68    70    71    74  -0.11250  1.0 3.0
   69    68    70    58   0.30150 -1.0 2.0
   69    68    70    39   0.30150 -1.0 2.0
   69    68    70    71   0.30150 -1.0 2.0
   70    58    64    65   0.00000  1.0 1.0
   70    58   -64    66   0.09850  1.0 1.0
   70    58   -64    66   0.15250 -1.0 2.0
   70    58   -64    66  -0.50650  1.0 3.0
   70    39    43    44  -0.11600  1.0 1.0
   70    39    43    44  -0.09450 -1.0 2.0
   70    39    43    44   0.21250  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    51    48   0.62750  1.0 1.0
   39    33    51    48  -0.30950 -1.0 2.0
   39    33    51    48   0.27300  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    53   0.56750  1.0 1.0
   39    33    51    53  -0.07550 -1.0 2.0
   39    33    51    53   0.20000  1.0 3.0
   39    70    71    72   0.15000  1.0 3.0
   39    70    71    73   0.15000  1.0 3.0
   39    70    71    74   0.15000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   71    70    39    33   0.56750  1.0 1.0
   71    70    39    33  -0.07550 -1.0 2.0
   71    70    39    33   0.20000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    43   0.86500  1.0 1.0
   71    70    39    43  -0.17500 -1.0 2.0
   71    70    39    43   0.20800  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    64   0.34400  1.0 1.0
   60    56    58    64   0.09450 -1.0 2.0
   60    56    58    64   0.11100  1.0 3.0
   60    56    58    70   0.56750  1.0 1.0
   60    56    58    70  -0.07550 -1.0 2.0
   60    56    58    70   0.20000  1.0 3.0
   45    37    41    42   0.30150 -1.0 2.0
   45    37    41    48   0.36750  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  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
   36    30    34    35  10.50000 -1.0 2.0
   37    48    41    42  10.50000 -1.0 2.0
   58    65    64    66   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
END
