* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    226     420
    1     0 S   NP   _N1_     1    30.40038    92.66985   -16.49272
    2     1 S   H    _HN1     2     1.02777    60.35509   -51.36305
    3     1 S   H    _H1_     3     1.03002   143.82043    29.00937
    4     1 S   H    _H2_     4     1.02836    54.03208    96.75369
    5     1 S   CT   _CA1     5     1.50197   105.41375  -158.50706
    6     5 S   HC   _HA1     6     1.09533   105.40639     3.14355
    7     5 S   CO3  _C1_     7     1.53915   112.12612  -117.62938
    8     7 S   O2Z  _O11     8     1.26479   115.10494   -42.39580
    9     7 S   O2Z  _O12     9     1.26195   115.03112   136.85296
   10     5 S   CT   _CB1    10     1.52967   107.34415   121.62071
   11    10 S   HC   HB11    11     1.09849   110.01352   -45.03008
   12    10 S   HC   HB12    12     1.09737   109.76323    70.89714
   13    10 S   CT   _CG1    13     1.53258   113.20847  -165.85384
   14    13 S   HC   HG11    14     1.09512   111.62700   -49.42002
   15    13 S   HC   HG12    15     1.09548   110.76902    70.03991
   16    13 S   C    _CD1    16     1.51521   109.22590  -170.07548
   17    16 S   O    _OE1    17     1.22754   122.18194   -91.90124
   18    16 S   N    _N2_    18     1.38148   112.11482    84.56042
   19    18 S   H    _HN2    19     1.01727   118.94692     8.18614
   20    18 S   CT1  _CA2    20     1.45651   123.93731  -169.67600
   21    20 S   HC   _HA2    21     1.09721   108.64066    22.01190
   22    20 S   C    _C2_    22     1.52689   108.09835   -95.90581
   23    22 S   O    _O2_    23     1.22922   123.02686   -24.36166
   24    20 S   CT   _CB2    32     1.53655   111.25643   144.05982
   25    24 S   HC   HB21    33     1.09444   109.95495    65.59291
   26    24 S   HC   HB22    34     1.09530   110.40827  -176.66722
   27    22 S   N    _N3_    24     1.38655   112.24179   158.87416
   28    27 S   H    _HN3    25     1.01483   119.73089    -0.34548
   29    24 S   S    _SG2    35     1.83350   110.68808   -57.38093
   30    27 S   CT   _CA3    26     1.45413   122.68575   173.47406
   31    30 S   HC   HA31    27     1.09543   108.85370    32.92714
   32    30 S   HC   HA32    28     1.09473   107.16195   150.15402
   33    29 S   CT   _C16    36     1.88470   102.27193   135.63103
   34    30 S   CO3  _C3_    29     1.53161   113.88235   -89.70679
   35    34 S   O2Z  _O31    30     1.26365   116.11684   -21.08264
   36    34 S   O2Z  _O32    31     1.26454   114.45670   159.65245
   37    33 S   CO4  _C11    37     1.53499   108.28056   -56.98420
   38    37 S   O    _O18    38     1.22831   123.59921   -21.41643
   39    33 S   CT   _C14    63     1.56066   108.40226  -172.53308
   40    39 S   HC   _H30    64     1.09768   110.35996   166.91639
   41    37 S   CA   _C7_    39     1.47954   118.13039   162.77652
   42    39 S   OH   _O21    65     1.43691   111.20806    50.71627
   43    42 S   HO   _H40    66     0.97526   108.31864    63.57031
   44    41 S   CA   _C6_    40     1.39261   119.88105   -21.58581
   45    44 S   CA   _C4_    41     1.40530   119.86019   179.82306
   46    45 S   HA   _H26    42     1.08876   120.47591   179.96044
   47    44 S   CO4  _C10    54     1.47891   121.89779    -1.37729
   48    47 S   O    _O17    55     1.23044   118.67858  -175.14239
   49    45 S   CA   _C8_    43     1.39802   121.09184     0.18557
   50    33 S   CT   _C12    56     1.54775   109.56230    65.19534
   51    50 S   HC   _H28    57     1.09936   108.56753   -46.11745
   52    49 S   CA   _C5_    44     1.39200   119.06508    -0.10835
   53    52 S   HA   _H27    45     1.08602   121.66067  -179.73020
   54    49 S   OS   _O24    49     1.36908   114.99497   179.89165
   55    50 S   CT   _C13    58     1.55623   113.61968    73.46052
   56    55 S   HC   _H29    59     1.09704   109.32068   170.92178
   57    41 S   CA   _C9_    46     1.40461   121.26572   158.21965
   58    54 S   CT   _C19    50     1.42289   116.81414   179.80923
   59    58 S   HC   _H35    51     1.09428   107.74997  -179.93744
   60    58 S   HC   _H36    52     1.09501   111.12949    62.30350
   61    58 S   HC   _H37    53     1.09502   111.13178   -62.18052
   62    55 S   CT   _C17    60     1.54574   113.19673    50.01338
   63    55 S   OH   _O20    75     1.42711   110.39730   -73.38296
   64    63 S   HO   _H39    76     0.97271   107.77984   -57.06794
   65    57 S   OH   _O19    47     1.36994   123.57217    -1.00464
   66    65 S   HO   _H38    48     0.97436   109.54807    -4.93118
   67    62 S   CT   _C15    61     1.54236   110.67537   -53.68297
   68    67 S   HC   _H31    62     1.09643   111.02448   -67.31627
   69    62 S   CT   _C18    69     1.53526   111.10173  -177.81663
   70    69 S   HC   _H32    70     1.09553   111.34506  -169.65312
   71    69 S   HC   _H33    71     1.09452   111.94894    68.62106
   72    69 S   HC   _H34    72     1.09628   110.60214   -52.22835
   73    62 S   OH   _O23    73     1.43462   108.62370    64.73823
   74    73 S   HO   _H42    74     0.97319   108.12766    59.44150
   75    67 S   OH   _O22    67     1.43381   110.17036   175.33868
   76    75 S   HO   _H41    68     0.97161   107.75066    71.45703
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  20   2   1   1  15   5  15   7  12   6   1  12  10   4   9   3
   9   9   4   6   3   5  13   6   2   3   2   1   1  12   4   1
   1   1   9   4   6   3   2   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    50    51    55    67    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    57    47    48    50    51    55    56    62    67    68    39    40    42    43    75    63  
   35    36  
   36  
    0  
   38    41    44    45    52    57    65    47    50    51    55    67    39    40    42  
   41    44    57    50    39  
   40    42    43    75    76    69    73    41    47    50    51    55    62    67    68  
   42    43    75    50    62    67    68  
   44    45    46    49    52    53    57    65    66    47    48    50  
   43    75    50    62    67    68  
   67  
   45    46    49    52    57    65    54    47    48    50    51    55  
   46    49    52    53    57    54    58    47    48    50  
   49    52    54    47  
   48    50    51    55    56    62    63    49    57  
   50    51    55  
   52    53    57    65    54    58    59    60    61  
   51    55    56    62    67    69    73    63    64  
   55    56    62    63  
   53    57    65    66    54    58  
   57    65    54  
   58    59    60    61    57  
   56    62    67    68    75    69    70    71    72    73    74    63    64  
   62    67    69    73    63    64  
   65    66  
   59    60    61  
   60    61  
   61  
    0  
   67    68    75    76    69    70    71    72    73    74    63    64  
   64    67    69    73  
    0  
   66  
    0  
   68    75    76    69    70    71    72    73    74  
   75    76    69    73  
   70    71    72    73    74    75  
   71    72    73  
   72    73  
   73  
   74    75  
    0  
   76  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    57   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    65   450.000  1.364
   65    66   553.000  0.945
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   570.000  1.229
   47    50   317.000  1.522
   50    51   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    62   268.000  1.529
   55    63   320.000  1.410
   62    67   268.000  1.529
   62    69   268.000  1.529
   62    73   320.000  1.410
   67    68   340.000  1.090
   67    39   268.000  1.529
   67    75   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   75    76   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   63    64   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  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    50    47    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    55    58.35000  112.70000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    57    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  119.52600
   41    57    52    63.00000  120.00000
   41    57    65    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    50    65.00000  115.47100
   45    49    52    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    54    58    75.00000  111.00000
   52    57    65    70.00000  120.00000
   57    41    44    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    65    66    35.00000  113.00000
   54    49    52    70.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    44    45    60.00000  119.52600
   47    50    51    35.00000  109.50000
   47    50    55    63.00000  111.10000
   50    33    37    63.00000  111.10000
   50    47    48    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    62    58.35000  112.70000
   50    55    63    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    62    67    58.35000  112.70000
   55    62    69    58.35000  112.70000
   55    62    73    50.00000  109.50000
   55    63    64    55.00000  108.50000
   62    55    56    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    39    58.35000  112.70000
   62    67    75    50.00000  109.50000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   62    73    74    55.00000  108.50000
   67    39    40    37.50000  110.70000
   67    39    42    50.00000  109.50000
   67    75    76    55.00000  108.50000
   39    33    37    63.00000  111.10000
   39    33    50    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   75    67    68    35.00000  109.50000
   75    67    39    50.00000  109.50000
   69    62    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    62    67    50.00000  109.50000
   73    62    69    50.00000  109.50000
   63    55    56    35.00000  109.50000
   63    55    62    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    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    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   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    50    47   0.56750  1.0 1.0
   29    33    50    47  -0.07550 -1.0 2.0
   29    33    50    47   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    55   0.44750  1.0 1.0
   29    33    50    55  -0.17800 -1.0 2.0
   29    33    50    55   0.20200  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  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    37    41    44   2.26350  1.0 1.0
   33    37    41    44   0.76750 -1.0 2.0
   33    37    41    44   0.22500  1.0 3.0
   33    37    41    57   2.26350  1.0 1.0
   33    37    41    57   0.76750 -1.0 2.0
   33    37    41    57   0.22500  1.0 3.0
   33    50    55    56   0.15000  1.0 3.0
   33    50    55    62   0.56750  1.0 1.0
   33    50    55    62  -0.07550 -1.0 2.0
   33    50    55    62   0.20000  1.0 3.0
   33    50    55    63   0.86500  1.0 1.0
   33    50    55    63  -0.17500 -1.0 2.0
   33    50    55    63   0.20800  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
   37    33    50    47   0.11950  1.0 1.0
   37    33    50    47   0.20300 -1.0 2.0
   37    33    50    47  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    55  -0.95700  1.0 1.0
   37    33    50    55  -0.18200 -1.0 2.0
   37    33    50    55   0.29450  1.0 3.0
   37    33    39    67  -0.95700  1.0 1.0
   37    33    39    67  -0.18200 -1.0 2.0
   37    33    39    67   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41   -44    47   3.62500 -1.0 2.0
   37    41    57    52   3.62500 -1.0 2.0
   37    41    57    65   3.62500 -1.0 2.0
   38    37    41    44   1.05000 -1.0 2.0
   38    37    41    57   1.05000 -1.0 2.0
   41    44    45    46   3.62500 -1.0 2.0
   41    44    45    49   3.62500 -1.0 2.0
   41    44    47    48   1.05000 -1.0 2.0
   41    44    47    50   2.26350  1.0 1.0
   41    44    47    50   0.76750 -1.0 2.0
   41    44    47    50   0.22500  1.0 3.0
   41    57    65    66   0.84100 -1.0 2.0
   44    41    57    52   3.62500 -1.0 2.0
   44    41    57    65   3.62500 -1.0 2.0
   44    45   -49    52   3.62500 -1.0 2.0
   44    45    49    54   3.62500 -1.0 2.0
   44    47   -50    33   0.05850 -1.0 2.0
   44    47   -50    33   0.17250  1.0 3.0
   44    47    50    51   0.00000  1.0 1.0
   44    47    50    55   0.05850 -1.0 2.0
   44    47    50    55   0.17250  1.0 3.0
   45    44    47    48   1.05000 -1.0 2.0
   45    44    47    50   2.26350  1.0 1.0
   45    44    47    50   0.76750 -1.0 2.0
   45    44    47    50   0.22500  1.0 3.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    57   3.62500 -1.0 2.0
   45    49    54    58   1.63200 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    52   -57    41   3.62500 -1.0 2.0
   49    52    57    65   3.62500 -1.0 2.0
   49    54    58    59   0.08050  1.0 3.0
   49    54    58    60   0.08050  1.0 3.0
   49    54    58    61   0.08050  1.0 3.0
   52    49    54    58   1.63200 -1.0 2.0
   52    57    65    66   0.84100 -1.0 2.0
   53    52    57    41   3.62500 -1.0 2.0
   53    52    57    65   3.62500 -1.0 2.0
   57    41   -44    45   3.62500 -1.0 2.0
   57    41    44    47   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    57   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    50    55    56  -0.11250  1.0 3.0
   47    50    55    62  -0.95700  1.0 1.0
   47    50    55    62  -0.18200 -1.0 2.0
   47    50    55    62   0.29450  1.0 3.0
   47    50    55    63  -0.09450  1.0 1.0
   47    50    55    63  -1.12950 -1.0 2.0
   47    50    55    63   0.54000  1.0 3.0
   48    47    50    33   0.30150 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    55   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    41   0.05850 -1.0 2.0
   50    33   -37    41   0.17250  1.0 3.0
   50    33    39    67   0.56750  1.0 1.0
   50    33    39    67  -0.07550 -1.0 2.0
   50    33    39    67   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    42   0.86500  1.0 1.0
   50    33    39    42  -0.17500 -1.0 2.0
   50    33    39    42   0.20800  1.0 3.0
   50    55   -62    67   0.56750  1.0 1.0
   50    55   -62    67  -0.07550 -1.0 2.0
   50    55   -62    67   0.20000  1.0 3.0
   50    55    62    69   0.56750  1.0 1.0
   50    55    62    69  -0.07550 -1.0 2.0
   50    55    62    69   0.20000  1.0 3.0
   50    55    62    73   0.86500  1.0 1.0
   50    55    62    73  -0.17500 -1.0 2.0
   50    55    62    73   0.20800  1.0 3.0
   50    55    63    64  -0.11600  1.0 1.0
   50    55    63    64  -0.09450 -1.0 2.0
   50    55    63    64   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    62   0.15000  1.0 3.0
   51    50    55    63   0.23400  1.0 3.0
   55    62    67    68   0.15000  1.0 3.0
   55    62    67    39   0.56750  1.0 1.0
   55    62    67    39  -0.07550 -1.0 2.0
   55    62    67    39   0.20000  1.0 3.0
   55    62    67    75   0.86500  1.0 1.0
   55    62    67    75  -0.17500 -1.0 2.0
   55    62    67    75   0.20800  1.0 3.0
   55    62    69    70   0.15000  1.0 3.0
   55    62    69    71   0.15000  1.0 3.0
   55    62    69    72   0.15000  1.0 3.0
   55    62    73    74  -0.11600  1.0 1.0
   55    62    73    74  -0.09450 -1.0 2.0
   55    62    73    74   0.21250  1.0 3.0
   56    55    62    67   0.15000  1.0 3.0
   56    55    62    69   0.15000  1.0 3.0
   56    55    62    73   0.23400  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   62    55    63    64  -0.11600  1.0 1.0
   62    55    63    64  -0.09450 -1.0 2.0
   62    55    63    64   0.21250  1.0 3.0
   62    67   -39    33   0.56750  1.0 1.0
   62    67   -39    33  -0.07550 -1.0 2.0
   62    67   -39    33   0.20000  1.0 3.0
   62    67    39    40   0.15000  1.0 3.0
   62    67    39    42   0.86500  1.0 1.0
   62    67    39    42  -0.17500 -1.0 2.0
   62    67    39    42   0.20800  1.0 3.0
   62    67    75    76  -0.11600  1.0 1.0
   62    67    75    76  -0.09450 -1.0 2.0
   62    67    75    76   0.21250  1.0 3.0
   67    62    69    70   0.15000  1.0 3.0
   67    62    69    71   0.15000  1.0 3.0
   67    62    69    72   0.15000  1.0 3.0
   67    62    73    74  -0.11600  1.0 1.0
   67    62    73    74  -0.09450 -1.0 2.0
   67    62    73    74   0.21250  1.0 3.0
   67    39    42    43  -0.11600  1.0 1.0
   67    39    42    43  -0.09450 -1.0 2.0
   67    39    42    43   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    42   0.23400  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    50    47  -0.95700  1.0 1.0
   39    33    50    47  -0.18200 -1.0 2.0
   39    33    50    47   0.29450  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33   -50    55   0.56750  1.0 1.0
   39    33   -50    55  -0.07550 -1.0 2.0
   39    33   -50    55   0.20000  1.0 3.0
   39    67    75    76  -0.11600  1.0 1.0
   39    67    75    76  -0.09450 -1.0 2.0
   39    67    75    76   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   75    67    39    33   0.86500  1.0 1.0
   75    67    39    33  -0.17500 -1.0 2.0
   75    67    39    33   0.20800  1.0 3.0
   75    67    39    40   0.23400  1.0 3.0
   75    67    39    42   3.75450  1.0 1.0
   69    62    67    68   0.15000  1.0 3.0
   69    62    67    39   0.56750  1.0 1.0
   69    62    67    39  -0.07550 -1.0 2.0
   69    62    67    39   0.20000  1.0 3.0
   69    62    67    75   0.86500  1.0 1.0
   69    62    67    75  -0.17500 -1.0 2.0
   69    62    67    75   0.20800  1.0 3.0
   69    62    73    74  -0.11600  1.0 1.0
   69    62    73    74  -0.09450 -1.0 2.0
   69    62    73    74   0.21250  1.0 3.0
   73    62    67    68   0.23400  1.0 3.0
   73    62    67    39   0.86500  1.0 1.0
   73    62    67    39  -0.17500 -1.0 2.0
   73    62    67    39   0.20800  1.0 3.0
   73    62    67    75   3.75450  1.0 1.0
   73    62    69    70   0.23400  1.0 3.0
   73    62    69    71   0.23400  1.0 3.0
   73    62    69    72   0.23400  1.0 3.0
   63    55    62    67   0.86500  1.0 1.0
   63    55    62    67  -0.17500 -1.0 2.0
   63    55    62    67   0.20800  1.0 3.0
   63    55    62    69   0.86500  1.0 1.0
   63    55    62    69  -0.17500 -1.0 2.0
   63    55    62    69   0.20800  1.0 3.0
   63    55    62    73   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    57    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   52    54    49    45   4.00000 -1.0 2.0
   57    53    52    49   1.10000 -1.0 2.0
   52    65    57    41   4.00000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
END
