* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    236     433
    1     0 S   NP   _N1_     1    28.50646    92.37613   -22.39880
    2     1 S   H    _HN1     2     1.02941    98.86201   -18.59312
    3     1 S   H    _H1_     3     1.02857    27.30607    91.85591
    4     1 S   H    _H2_     4     1.02797    86.48946  -126.50143
    5     1 S   CT   _CA1     5     1.50086   136.58282   114.54863
    6     5 S   HC   _HA1     6     1.09581   105.26128    48.67496
    7     5 S   CO3  _C1_     7     1.53813   112.08314   -71.46984
    8     7 S   O2Z  _O11     8     1.26413   115.15224   -53.83162
    9     7 S   O2Z  _O12     9     1.26200   114.90988   125.34754
   10     5 S   CT   _CB1    10     1.53096   107.42229   166.36994
   11    10 S   HC   HB11    11     1.09824   109.50922   -51.36203
   12    10 S   HC   HB12    12     1.09747   110.32088    65.10601
   13    10 S   CT   _CG1    13     1.53020   112.56346  -172.38975
   14    13 S   HC   HG11    14     1.09617   110.46383   -60.88484
   15    13 S   HC   HG12    15     1.09638   109.95225    58.30398
   16    13 S   C    _CD1    16     1.51803   112.30185   178.94873
   17    16 S   O    _OE1    17     1.22758   123.31765     0.24228
   18    16 S   N    _N2_    18     1.38533   111.79187   179.71607
   19    18 S   H    _HN2    19     1.01557   119.26372     5.55224
   20    18 S   CT1  _CA2    20     1.45760   122.73394  -177.52987
   21    20 S   HC   _HA2    21     1.09584   108.31803    27.10102
   22    20 S   C    _C2_    22     1.52914   107.62791   -89.59933
   23    22 S   O    _O2_    23     1.22956   123.11620   -25.23689
   24    20 S   CT   _CB2    32     1.53383   112.42977   150.12038
   25    24 S   HC   HB21    33     1.09661   109.66061    65.69461
   26    24 S   HC   HB22    34     1.09561   111.13176  -176.86887
   27    22 S   N    _N3_    24     1.38502   112.45176   157.42697
   28    27 S   H    _HN3    25     1.01650   120.36291    -2.34118
   29    24 S   S    _SG2    35     1.82540   113.77596   -53.42840
   30    27 S   CT   _CA3    26     1.45354   122.54056   178.60507
   31    30 S   HC   HA31    27     1.09564   107.83082   -55.48018
   32    30 S   HC   HA32    28     1.09559   107.61331    60.88508
   33    29 S   CT   _C18    36     1.82343   100.19348   -72.25156
   34    33 S   HC   _H19    37     1.09445   107.81305   -83.09145
   35    33 S   HC   _H20    38     1.09191   111.05342    33.70164
   36    30 S   CO3  _C3_    29     1.52902   114.24476  -177.39774
   37    36 S   O2Z  _O31    30     1.26347   116.02666    -0.49653
   38    36 S   O2Z  _O32    31     1.26425   114.42974   179.47362
   39    33 S   CM   _C16    39     1.50069   109.42894   154.97954
   40    39 S   CMA  _C17    40     1.35009   127.80703   105.51486
   41    40 S   OM   _O37    41     1.26276   128.14011     1.50870
   42    40 S   OS   _O36    42     1.42212   109.37829  -178.98182
   43    42 S   CT   _C6_    43     1.44202   105.65584    17.69578
   44    43 S   HC   _H3_    44     1.10156   105.68264    85.16921
   45    39 S   CT   _C7_    45     1.50376   120.75127   -75.82084
   46    45 S   HC   _H4_    46     1.09576   110.69989    46.63149
   47    43 S   CT   _C5_    66     1.53971   111.47405  -156.62943
   48    45 S   CT   _C8_    47     1.53930   111.54563   -75.47088
   49    48 S   HC   _H10    48     1.09869   108.50876    46.68174
   50    48 S   HC   _H11    49     1.09198   111.54136   -67.13433
   51    61 S   CT   _C11    67     1.50938   119.09784   -26.23540
   52    47 S   CT   _C4_    70     1.54772   112.92245    30.93676
   53    52 S   HC   _H7_    71     1.08795   113.72290    67.26771
   54    52 S   HC   _H8_    72     1.09705   111.01933   -53.48896
   55    52 S   HC   _H9_    73     1.09540   112.83314  -170.38955
   56    48 S   CT   _C9_    50     1.53442   115.75627   164.75503
   57    56 S   HC   _H12    51     1.09753   108.48365  -179.07719
   58    56 S   HC   _H13    52     1.09803   105.61077   -67.10765
   59    51 S   OH   _O35    68     1.42696   110.79483   -75.08151
   60    59 S   HO   _H18    69     0.97609   108.84564   -53.64742
   61    56 S   CT   _C10    53     1.52907   121.13798    53.83079
   62    61 S   HC   _H5_    54     1.10204   104.06612  -145.47911
   63    61 S   CT   _C15    55     1.52527   117.88843    99.36977
   64    63 S   HC   _H16    56     1.09258   113.71905   -35.31214
   65    63 S   HC   _H17    57     1.09502   111.49114    86.57551
   66    63 S   OS   _O34    58     1.45040   106.85338  -155.32514
   67    66 S   CT   _C12    59     1.43600   108.13346    -2.20407
   68    67 S   HC   _H6_    60     1.09650   107.76588   -95.81185
   69    67 S   CT   _C13    61     1.52541   114.44276   141.23764
   70    69 S   HC   _H14    62     1.09380   111.08158   144.95811
   71    69 S   HC   _H15    63     1.09219   112.57635    19.12911
   72    69 S   CO4  _C14    64     1.51861   103.09219   -99.73288
   73    72 S   O    _O33    65     1.22507   123.09827  -172.21818
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  19   7  12   5  20   9
   5   4  22   9   3   2   1  10   4   3   9   2   9   5   6   3
   2   6   6   4   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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    48  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49    50    56    47  
   41    42    43    44    45    46    48    47  
   42    43    45  
   43    44    45    46    48    72    47    51    52  
   44    45    46    48    49    50    56    61    67    69    72    73    47    51    59    52    53    54    55  
   45    46    48    72    47    51    52  
   46    48    49    50    56    57    58    61    72    47    51    52  
   48    49    50    56    47  
   51    59    60    52    53    54    55    48    56    61    62    63    66    67    68    69    70    71    72    73  
   49    50    56    57    58    61    62    63    51  
   50    56    57    58    61  
   56    57    58    61  
   59    60    52    53    54    55    56    57    58    61    62    63    64    65    66    67    68    69    70    71    72    73  
   53    54    55    59    61    67    69    72    73  
   54    55    72  
   55    72  
   72  
   57    58    61    62    63    64    65    66    67    59  
   58    61    62    63  
   61    62    63  
   60    61    62    63    66    67    68    69    72  
   61    67  
   62    63    64    65    66    67    68    69    72  
   63    64    65    66    67  
   64    65    66    67    68    69  
   65    66    67  
   66    67  
   67    68    69    70    71    72  
   68    69    70    71    72    73  
   69    70    71    72  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    51   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   320.000  1.410
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    51   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.522
   72    73   570.000  1.229
   72    47   317.000  1.522
   47    51   268.000  1.529
   47    52   268.000  1.529
   51    59   320.000  1.410
   59    60   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    48    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    47    72    63.00000  111.10000
   43    47    51    58.35000  112.70000
   43    47    52    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    56    58.35000  112.70000
   48    45    46    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    58.35000  112.70000
   56    61    51    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    50.00000  109.50000
   61    51    67    58.35000  112.70000
   61    51    47    58.35000  112.70000
   61    51    59    50.00000  109.50000
   63    61    62    37.50000  110.70000
   63    66    67    60.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    35.00000  109.50000
   66    67    69    50.00000  109.50000
   66    67    51    50.00000  109.50000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    63.00000  111.10000
   67    51    47    58.35000  112.70000
   67    51    59    50.00000  109.50000
   69    67    68    37.50000  110.70000
   69    72    73    80.00000  120.40000
   69    72    47    70.00000  116.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    47    51    63.00000  111.10000
   72    47    52    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    72    73    80.00000  120.40000
   47    51    59    50.00000  109.50000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    58.35000  112.70000
   51    67    68    37.50000  110.70000
   51    67    69    58.35000  112.70000
   51    59    60    55.00000  108.50000
   52    47    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    48   0.46850  1.0 1.0
   33    39    45    48   0.08550 -1.0 2.0
   33    39    45    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    48    49   0.15000  1.0 3.0
   39    45    48    50   0.15000  1.0 3.0
   39    45    48    56   0.34400  1.0 1.0
   39    45    48    56   0.09450 -1.0 2.0
   39    45    48    56   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.09850  1.0 1.0
   40    39    45    48   0.15250 -1.0 2.0
   40    39    45    48  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43    47    72  -0.09450  1.0 1.0
   42    43    47    72  -1.12950 -1.0 2.0
   42    43    47    72   0.54000  1.0 3.0
   42    43    47    51   0.62750  1.0 1.0
   42    43    47    51  -0.30950 -1.0 2.0
   42    43    47    51   0.27300  1.0 3.0
   42    43    47    52   0.62750  1.0 1.0
   42    43    47    52  -0.30950 -1.0 2.0
   42    43    47    52   0.27300  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   43    45    48    56   0.56750  1.0 1.0
   43    45    48    56  -0.07550 -1.0 2.0
   43    45    48    56   0.20000  1.0 3.0
   43    47    51    61   0.56750  1.0 1.0
   43    47    51    61  -0.07550 -1.0 2.0
   43    47    51    61   0.20000  1.0 3.0
   43    47    51    67   0.56750  1.0 1.0
   43    47    51    67  -0.07550 -1.0 2.0
   43    47    51    67   0.20000  1.0 3.0
   43    47    51    59   0.86500  1.0 1.0
   43    47    51    59  -0.17500 -1.0 2.0
   43    47    51    59   0.20800  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    54   0.15000  1.0 3.0
   43    47    52    55   0.15000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    47    72  -0.11250  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    72  -0.95700  1.0 1.0
   45    43    47    72  -0.18200 -1.0 2.0
   45    43    47    72   0.29450  1.0 3.0
   45    43    47    51   0.56750  1.0 1.0
   45    43    47    51  -0.07550 -1.0 2.0
   45    43    47    51   0.20000  1.0 3.0
   45    43    47    52   0.56750  1.0 1.0
   45    43    47    52  -0.07550 -1.0 2.0
   45    43    47    52   0.20000  1.0 3.0
   45    48    56    57   0.15000  1.0 3.0
   45    48    56    58   0.15000  1.0 3.0
   45    48    56    61   0.56750  1.0 1.0
   45    48    56    61  -0.07550 -1.0 2.0
   45    48    56    61   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   48    56    61    62   0.15000  1.0 3.0
   48    56    61    63   0.56750  1.0 1.0
   48    56    61    63  -0.07550 -1.0 2.0
   48    56    61    63   0.20000  1.0 3.0
   48    56    61    51   0.56750  1.0 1.0
   48    56    61    51  -0.07550 -1.0 2.0
   48    56    61    51   0.20000  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    61   0.15000  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    61   0.15000  1.0 3.0
   56    61    63    64   0.15000  1.0 3.0
   56    61    63    65   0.15000  1.0 3.0
   56    61    63    66   0.62750  1.0 1.0
   56    61    63    66  -0.30950 -1.0 2.0
   56    61    63    66   0.27300  1.0 3.0
   56    61    51    67   0.56750  1.0 1.0
   56    61    51    67  -0.07550 -1.0 2.0
   56    61    51    67   0.20000  1.0 3.0
   56    61    51    47   0.56750  1.0 1.0
   56    61    51    47  -0.07550 -1.0 2.0
   56    61    51    47   0.20000  1.0 3.0
   56    61    51    59   0.86500  1.0 1.0
   56    61    51    59  -0.17500 -1.0 2.0
   56    61    51    59   0.20800  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    51   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    51   0.15000  1.0 3.0
   61    63   -66    67   0.06250  1.0 1.0
   61    63   -66    67  -0.01100 -1.0 2.0
   61    63   -66    67   0.28050  1.0 3.0
   61    51    59    60  -0.11600  1.0 1.0
   61    51    59    60  -0.09450 -1.0 2.0
   61    51    59    60   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.23400  1.0 3.0
   62    61    51    67   0.15000  1.0 3.0
   62    61    51    47   0.15000  1.0 3.0
   62    61    51    59   0.23400  1.0 3.0
   63    61   -51    67   0.56750  1.0 1.0
   63    61   -51    67  -0.07550 -1.0 2.0
   63    61   -51    67   0.20000  1.0 3.0
   63    61    51    47   0.56750  1.0 1.0
   63    61    51    47  -0.07550 -1.0 2.0
   63    61    51    47   0.20000  1.0 3.0
   63    61    51    59   0.86500  1.0 1.0
   63    61    51    59  -0.17500 -1.0 2.0
   63    61    51    59   0.20800  1.0 3.0
   63    66    67    68   0.37050  1.0 3.0
   63    66    67    69   0.06250  1.0 1.0
   63    66    67    69  -0.01100 -1.0 2.0
   63    66    67    69   0.28050  1.0 3.0
   63    66   -67    51   0.06250  1.0 1.0
   63    66   -67    51  -0.01100 -1.0 2.0
   63    66   -67    51   0.28050  1.0 3.0
   64    63    66    67   0.37050  1.0 3.0
   65    63    66    67   0.37050  1.0 3.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.23400  1.0 3.0
   66    67    69    72  -0.09450  1.0 1.0
   66    67    69    72  -1.12950 -1.0 2.0
   66    67    69    72   0.54000  1.0 3.0
   66    67   -51    61   0.62750  1.0 1.0
   66    67   -51    61  -0.30950 -1.0 2.0
   66    67   -51    61   0.27300  1.0 3.0
   66    67    51    47   0.62750  1.0 1.0
   66    67    51    47  -0.30950 -1.0 2.0
   66    67    51    47   0.27300  1.0 3.0
   66    67    51    59   3.69350  1.0 1.0
   66    67    51    59  -1.82950 -1.0 2.0
   67    69    72    73   0.30150 -1.0 2.0
   67    69   -72    47   0.60050  1.0 1.0
   67    69   -72    47   0.05600 -1.0 2.0
   67    69   -72    47   0.26150  1.0 3.0
   67    51    59    60  -0.11600  1.0 1.0
   67    51    59    60  -0.09450 -1.0 2.0
   67    51    59    60   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72  -0.11250  1.0 3.0
   68    67    51    61   0.15000  1.0 3.0
   68    67    51    47   0.15000  1.0 3.0
   68    67    51    59   0.23400  1.0 3.0
   69    67    51    61   0.56750  1.0 1.0
   69    67    51    61  -0.07550 -1.0 2.0
   69    67    51    61   0.20000  1.0 3.0
   69    67   -51    47   0.56750  1.0 1.0
   69    67   -51    47  -0.07550 -1.0 2.0
   69    67   -51    47   0.20000  1.0 3.0
   69    67    51    59   0.86500  1.0 1.0
   69    67    51    59  -0.17500 -1.0 2.0
   69    67    51    59   0.20800  1.0 3.0
   69    72    47    43   0.60050  1.0 1.0
   69    72    47    43   0.05600 -1.0 2.0
   69    72    47    43   0.26150  1.0 3.0
   69    72   -47    51   0.60050  1.0 1.0
   69    72   -47    51   0.05600 -1.0 2.0
   69    72   -47    51   0.26150  1.0 3.0
   69    72    47    52   0.60050  1.0 1.0
   69    72    47    52   0.05600 -1.0 2.0
   69    72    47    52   0.26150  1.0 3.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    47   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    47   0.00000  1.0 1.0
   72    47    51    61  -0.95700  1.0 1.0
   72    47    51    61  -0.18200 -1.0 2.0
   72    47    51    61   0.29450  1.0 3.0
   72    47   -51    67  -0.95700  1.0 1.0
   72    47   -51    67  -0.18200 -1.0 2.0
   72    47   -51    67   0.29450  1.0 3.0
   72    47    51    59  -0.09450  1.0 1.0
   72    47    51    59  -1.12950 -1.0 2.0
   72    47    51    59   0.54000  1.0 3.0
   72    47    52    53  -0.11250  1.0 3.0
   72    47    52    54  -0.11250  1.0 3.0
   72    47    52    55  -0.11250  1.0 3.0
   73    72    47    43   0.30150 -1.0 2.0
   73    72    47    51   0.30150 -1.0 2.0
   73    72    47    52   0.30150 -1.0 2.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    48   0.56750  1.0 1.0
   47    43    45    48  -0.07550 -1.0 2.0
   47    43    45    48   0.20000  1.0 3.0
   47    51    59    60  -0.11600  1.0 1.0
   47    51    59    60  -0.09450 -1.0 2.0
   47    51    59    60   0.21250  1.0 3.0
   51    61    63    64   0.15000  1.0 3.0
   51    61    63    65   0.15000  1.0 3.0
   51    61   -63    66   0.62750  1.0 1.0
   51    61   -63    66  -0.30950 -1.0 2.0
   51    61   -63    66   0.27300  1.0 3.0
   51    67    69    70   0.15000  1.0 3.0
   51    67    69    71   0.15000  1.0 3.0
   51    67   -69    72  -0.95700  1.0 1.0
   51    67   -69    72  -0.18200 -1.0 2.0
   51    67   -69    72   0.29450  1.0 3.0
   51    47    52    53   0.15000  1.0 3.0
   51    47    52    54   0.15000  1.0 3.0
   51    47    52    55   0.15000  1.0 3.0
   52    47    51    61   0.56750  1.0 1.0
   52    47    51    61  -0.07550 -1.0 2.0
   52    47    51    61   0.20000  1.0 3.0
   52    47    51    67   0.56750  1.0 1.0
   52    47    51    67  -0.07550 -1.0 2.0
   52    47    51    67   0.20000  1.0 3.0
   52    47    51    59   0.86500  1.0 1.0
   52    47    51    59  -0.17500 -1.0 2.0
   52    47    51    59   0.20800  1.0 3.0
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
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   69    47    72    73  10.50000 -1.0 2.0
END
