* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    120    191     360
    1     0 S   NP   _N1_     1    29.36002    91.90926   -21.15032
    2     1 S   H    _HN1     2     1.03130   109.81870    32.69417
    3     1 S   H    _H1_     3     1.02814    20.22041   119.00603
    4     1 S   H    _H2_     4     1.02730    88.56262   -75.86790
    5     1 S   CT   _CA1     5     1.50109   125.33984   167.98202
    6     5 S   HC   _HA1     6     1.09567   105.31016    47.35790
    7     5 S   CO3  _C1_     7     1.53793   112.36943   -72.91279
    8     7 S   O2Z  _O11     8     1.26334   115.11537   -46.08757
    9     7 S   O2Z  _O12     9     1.26256   114.85406   133.07352
   10     5 S   CT   _CB1    10     1.52976   107.16397   165.29604
   11    10 S   HC   HB11    11     1.09833   109.39922   -50.41197
   12    10 S   HC   HB12    12     1.09828   110.23034    66.02151
   13    10 S   CT   _CG1    13     1.52997   113.08074  -171.88988
   14    13 S   HC   HG11    14     1.09559   110.32813   -58.29951
   15    13 S   HC   HG12    15     1.09577   110.45471    61.18273
   16    13 S   C    _CD1    16     1.51717   111.20879  -178.86116
   17    16 S   O    _OE1    17     1.22802   122.82185   -20.04527
   18    16 S   N    _N2_    18     1.38588   112.20321   160.39132
   19    18 S   H    _HN2    19     1.01582   119.33879     2.61097
   20    18 S   CT1  _CA2    20     1.46066   122.89699  -175.36485
   21    20 S   HC   _HA2    21     1.09580   109.13383   -13.06949
   22    20 S   C    _C2_    22     1.53352   108.99608  -128.35274
   23    22 S   O    _O2_    23     1.23026   122.11474  -147.94176
   24    20 S   CT   _CB2    32     1.53630   111.81776   108.92790
   25    24 S   HC   HB21    33     1.09663   109.43603    66.88081
   26    24 S   HC   HB22    34     1.09579   110.72273  -176.03538
   27    22 S   N    _N3_    24     1.38479   113.43557    39.68102
   28    27 S   H    _HN3    25     1.01523   118.91496    -0.71354
   29    24 S   S    _SG2    35     1.82995   115.15110   -52.61225
   30    27 S   CT   _CA3    26     1.45435   123.33216   174.60119
   31    30 S   HC   HA31    27     1.09533   109.06105    27.52444
   32    30 S   HC   HA32    28     1.09488   107.16133   144.54713
   33    29 S   CT   _C4_    36     1.82888   100.11710   -67.78137
   34    33 S   HC   _H7_    37     1.08921   108.55189    50.43298
   35    33 S   HC   _H8_    38     1.09471   107.47726   -67.46547
   36    30 S   CO3  _C3_    29     1.52960   113.27549   -95.78976
   37    36 S   O2Z  _O31    30     1.26394   115.51183   -41.14717
   38    36 S   O2Z  _O32    31     1.26370   114.90462   139.77968
   39    33 S   CT   _C5_    39     1.53567   110.27556   171.45905
   40    39 S   HC   _H3_    40     1.09551   110.77357   -45.23479
   41    39 S   CT   _C6_    41     1.54588   113.43575  -169.40537
   42    41 S   HC   _H4_    42     1.09760   108.58207  -167.23316
   43    39 S   OH   _O37    67     1.43484   107.80199    71.83389
   44    43 S   HO   _H16    68     0.97277   107.49641  -171.57165
   45    41 S   CT   _C7_    43     1.54306   114.65252    70.09797
   46    45 S   HC   _H5_    44     1.09649   110.07161   -52.50906
   47    41 S   OH   _O36    65     1.43236   108.54709   -51.88696
   48    47 S   HO   _H15    66     0.97366   107.01907   -54.43120
   49    45 S   CT   _C8_    45     1.55548   112.74348  -171.10395
   50    49 S   HC   _H6_    46     1.09638   109.30541    71.95648
   51    49 S   NE   _N4_    47     1.46065   110.21303  -167.38951
   52    49 S   OH   _O35    63     1.42571   110.71609   -46.10365
   53    52 S   HO   _H14    64     0.97248   105.39589  -161.98670
   54    51 S   CM   _C9_    48     1.40452   123.42153    37.91939
   55    51 S   OH   _O34    61     1.39138   113.41097  -161.96637
   56    55 S   HO   _H13    62     0.97369   102.35195   152.83176
   57    54 S   CM   _C10    49     1.35670   116.18695   -14.11693
   58    57 S   C    _C11    50     1.48645   118.95848   178.09094
   59    58 S   O    _O33    51     1.22765   122.29148  -179.87489
   60    45 S   NE   _N8_    59     1.46549   110.90704    66.37480
   61    60 S   H    _H12    60     1.01501   119.97324   -37.70544
   62    58 S   N    _N5_    52     1.37485   114.07695     0.36369
   63    62 S   H    _H9_    53     1.01323   118.00170  -179.36573
   64    62 S   CDX  _C12    54     1.37854   123.29758     0.84811
   65    54 S   NI   _N6_    55     1.38410   121.32543   165.69566
   66    64 S   NE   _N7_    56     1.36595   115.91770   179.20771
   67    66 S   H    _H10    57     1.01396   120.37560   179.76427
   68    66 S   H    _H11    58     1.01276   122.19238     0.53229
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  11   6  14   7   3   1  14   8   3   1
  11   6  10   4   1  11   3   1   8   8   4   3   1   6   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    60    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    57    60    61    52    47    48    43    44  
   45    46    49    60    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    57    58    60    61    55    52    53    47    48  
   49    50    51    57    60    61    52    47  
   48    49    60  
    0  
   50    51    54    57    65    60    61    55    56    52    53  
   51    54    60    55    52    53  
   54    57    58    64    65    60    55    56    52    53  
   53    54    55    60  
    0  
   57    58    59    62    64    65    66    60    61    55    56  
   56    57    65  
    0  
   58    59    62    63    64    65    60    61  
   59    62    63    64    65    66    60    61  
   62    63    64    60  
   61    62    65  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.440300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.153300   1.9050   1.6860   0.051222218  -2.220205820
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1200   0.1700  -0.550700   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.450700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   65   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   66   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    60   382.000  1.448
   49    50   340.000  1.090
   49    51   382.000  1.448
   49    52   320.000  1.410
   51    54   425.000  1.378
   51    55   315.000  1.396
   54    57   549.000  1.340
   54    65   405.000  1.380
   57    58   410.000  1.444
   57    60   425.000  1.378
   58    59   570.000  1.229
   58    62   490.000  1.335
   62    63   434.000  1.010
   62    64   400.000  1.380
   64    65   650.000  1.285
   64    66   445.000  1.380
   66    67   434.000  1.010
   66    68   434.000  1.010
   60    61   434.000  1.010
   55    56   553.000  0.945
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    60    80.00000  111.61500
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    80.00000  111.61500
   45    49    52    50.00000  109.50000
   45    60    57    50.00000  121.00000
   45    60    61    35.00000  112.50000
   49    45    46    37.50000  110.70000
   49    51    54    50.00000  121.00000
   49    51    55   100.00000  106.16000
   49    52    53    55.00000  108.50000
   51    49    50    35.00000  109.50000
   51    54    57    70.00000  124.03900
   51    54    65    85.00000  113.56000
   51    55    56    75.00000  105.39500
   54    57    58    70.00000  118.70000
   54    57    60    70.00000  124.03900
   54    65    64    70.00000  116.49400
   57    58    59    80.00000  125.30000
   57    58    62    80.00000  111.56200
   57    60    61    35.00000  114.50000
   58    62    63    35.00000  119.80000
   58    62    64    70.00000  120.51600
   62    58    59    80.00000  122.90000
   62    64    65    80.00000  119.04400
   62    64    66    85.00000  111.44000
   64    62    63    45.00000  120.05200
   64    66    67    35.00000  119.50000
   64    66    68    35.00000  119.50000
   65    54    57    70.00000  120.83400
   66    64    65    75.00000  124.36500
   68    66    67    35.00000  109.00000
   60    45    46    35.00000  109.50000
   60    45    49    80.00000  111.61500
   60    57    58    70.00000  117.92000
   55    51    54    90.00000  112.38000
   52    49    50    35.00000  109.50000
   52    49    51    95.00000  114.90300
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  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    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  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
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    60   1.26750  1.0 1.0
   39    41    45    60  -0.00950 -1.0 2.0
   39    41    45    60   0.30600  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   1.26750  1.0 1.0
   41    45    49    51  -0.00950 -1.0 2.0
   41    45    49    51   0.30600  1.0 3.0
   41    45    49    52   0.86500  1.0 1.0
   41    45    49    52  -0.17500 -1.0 2.0
   41    45    49    52   0.20800  1.0 3.0
   41    45    60    57   0.25450  1.0 1.0
   41    45    60    57  -0.61700 -1.0 2.0
   41    45    60    57  -0.23550  1.0 3.0
   41    45    60    61   0.00000  1.0 1.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    60   0.22950  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    51    54   0.25450  1.0 1.0
   45    49    51    54  -0.61700 -1.0 2.0
   45    49    51    54  -0.23550  1.0 3.0
   45    49    51    55   0.61050  1.0 1.0
   45    49    51    55  -0.39800 -1.0 2.0
   45    49    51    55   0.77800  1.0 3.0
   45    49    52    53  -0.11600  1.0 1.0
   45    49    52    53  -0.09450 -1.0 2.0
   45    49    52    53   0.21250  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.22950  1.0 3.0
   46    45    49    52   0.23400  1.0 3.0
   46    45    60    57   0.00000  1.0 1.0
   46    45    60    61   0.00000  1.0 1.0
   49    45    60    57   0.25450  1.0 1.0
   49    45    60    57  -0.61700 -1.0 2.0
   49    45    60    57  -0.23550  1.0 3.0
   49    45    60    61   0.00000  1.0 1.0
   49    51   -54    57  -0.54700  1.0 1.0
   49    51   -54    57   1.23000 -1.0 2.0
   49    51    54    65   1.00000 -1.0 2.0
   49    51    55    56  -1.00000 -1.0 2.0
   50    49    51    54   0.00000  1.0 1.0
   50    49    51    55   0.00000  1.0 1.0
   50    49    52    53   0.19450  1.0 3.0
   51    49    52    53   0.09550  1.0 1.0
   51    49    52    53   0.17350 -1.0 2.0
   51    49    52    53  -0.55000  1.0 3.0
   51    54    57    58   7.00000 -1.0 2.0
   51    54    57    60   7.00000 -1.0 2.0
   51    54    65    64   1.00000 -1.0 2.0
   54    51    55    56  -1.00000 -1.0 2.0
   54    57    58    59   1.00000 -1.0 2.0
   54    57    58    62   0.49500  1.0 1.0
   54    57    58    62   1.31600 -1.0 2.0
   54    57    58    62  -0.02300  1.0 3.0
   54    57   -60    45  -0.54700  1.0 1.0
   54    57   -60    45   1.23000 -1.0 2.0
   54    57    60    61   1.00000 -1.0 2.0
   57    54    65    64   1.00000 -1.0 2.0
   57    58    62    63   2.56700 -1.0 2.0
   57    58   -62    64   2.45000 -1.0 2.0
   58    57    60    45   1.00000 -1.0 2.0
   58    57    60    61   1.00000 -1.0 2.0
   58    62    64    65  -0.56400  1.0 1.0
   58    62    64    65   0.77500 -1.0 2.0
   58    62    64    65   0.18700  1.0 3.0
   58    62    64    66  -0.56400  1.0 1.0
   58    62    64    66   0.77500 -1.0 2.0
   58    62    64    66   0.18700  1.0 3.0
   59    58    62    63   2.45000 -1.0 2.0
   59    58    62    64   2.67200 -1.0 2.0
   62    64   -65    54   6.00000 -1.0 2.0
   62    64    66    67   1.00000 -1.0 2.0
   62    64    66    68   1.00000 -1.0 2.0
   63    62    64    65   1.00000 -1.0 2.0
   63    62    64    66   1.00000 -1.0 2.0
   65    54   -57    58   7.00000 -1.0 2.0
   65    54    57    60   7.00000 -1.0 2.0
   65    64    66    67   1.50000 -1.0 2.0
   65    64    66    68   1.50000 -1.0 2.0
   66    64    65    54   6.00000 -1.0 2.0
   60    45    49    50   0.22950  1.0 3.0
   60    45   -49    51   2.20050  1.0 1.0
   60    45   -49    51   0.63450 -1.0 2.0
   60    45   -49    51  -0.91300  1.0 3.0
   60    45    49    52   4.07950  1.0 1.0
   60    45    49    52  -0.26450 -1.0 2.0
   60    45    49    52  -0.12150  1.0 3.0
   60    57    58    59  -0.52200  1.0 1.0
   60    57    58    59   0.82950 -1.0 2.0
   60    57    58    62   1.50000 -1.0 2.0
   55    51    54    57  -0.94800  1.0 1.0
   55    51    54    57   2.88400 -1.0 2.0
   55    51    54    65   1.00000 -1.0 2.0
   52    49    51    54   0.75000  1.0 1.0
   52    49    51    54  -0.75000 -1.0 2.0
   52    49    51    55  -0.12500  1.0 1.0
   52    49    51    55  -0.12500 -1.0 2.0
   52    49    51    55   0.25000  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    60   4.07950  1.0 1.0
   47    41    45    60  -0.26450 -1.0 2.0
   47    41    45    60  -0.12150  1.0 3.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  1.0 1.0
IPHI
    8     5     7     9  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    36    38  10.50000 -1.0 2.0
   55    54    51    49   1.00000 -1.0 2.0
   51    65    54    57   1.10000 -1.0 2.0
   58    60    57    54   1.10000 -1.0 2.0
   57    62    58    59  10.50000 -1.0 2.0
   63    58    62    64   1.00000 -1.0 2.0
   62    66    64    65  10.50000 -1.0 2.0
   68    64    66    67   1.00000 -1.0 2.0
   61    57    60    45   1.00000 -1.0 2.0
END
