* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    147    246     432
    1     0 S   NP   _N1_     1    29.02581    95.22142   -19.69129
    2     1 S   H    _HN1     2     1.02836    38.14521   145.09832
    3     1 S   H    _H1_     3     1.02777    80.54488   -79.13468
    4     1 S   H    _H2_     4     1.02962    91.67135    29.17426
    5     1 S   CT   _CA1     5     1.50112   147.84074   163.70766
    6     5 S   HC   _HA1     6     1.09571   105.25827    46.97013
    7     5 S   CO3  _C1_     7     1.53803   112.37476   -73.30160
    8     7 S   O2Z  _O11     8     1.26360   114.99269   -43.66218
    9     7 S   O2Z  _O12     9     1.26240   114.93272   135.57022
   10     5 S   CT   _CB1    10     1.53097   107.43775   164.93945
   11    10 S   HC   HB11    11     1.09820   109.41816   -50.39965
   12    10 S   HC   HB12    12     1.09824   110.37753    66.18515
   13    10 S   CT   _CG1    13     1.52989   112.64121  -171.51464
   14    13 S   HC   HG11    14     1.09587   110.34126   -61.91580
   15    13 S   HC   HG12    15     1.09638   110.08443    57.25840
   16    13 S   C    _CD1    16     1.51816   112.29724   177.60510
   17    16 S   O    _OE1    17     1.22717   123.27170    -6.54868
   18    16 S   N    _N2_    18     1.38589   111.60005   173.67302
   19    18 S   H    _HN2    19     1.01597   118.94820     1.28085
   20    18 S   CT1  _CA2    20     1.46270   123.51720  -177.80661
   21    20 S   HC   _HA2    21     1.09728   109.40237   -15.15820
   22    20 S   C    _C2_    22     1.53395   108.24182  -130.92735
   23    22 S   O    _O2_    23     1.23005   122.26922  -145.58054
   24    20 S   CT   _CB2    32     1.53470   111.12897   107.04142
   25    24 S   HC   HB21    33     1.09397   109.34518    54.05205
   26    24 S   HC   HB22    34     1.09499   110.80472   172.59506
   27    22 S   N    _N3_    24     1.38516   113.31989    41.77360
   28    27 S   H    _HN3    25     1.01532   118.91291    -0.60652
   29    24 S   S    _SG2    35     1.82828   111.56951   -68.09408
   30    27 S   CT   _CA3    26     1.45453   123.46739   175.11525
   31    30 S   HC   HA31    27     1.09521   109.26473    23.78657
   32    30 S   HC   HA32    28     1.09496   107.11308   140.79779
   33    29 S   CT   _C12    36     1.84702   100.30531   157.09069
   34    33 S   HC   _H3_    37     1.09577   103.00484    46.39996
   35    30 S   CO3  _C3_    29     1.52926   113.10363   -99.70894
   36    35 S   O2Z  _O31    30     1.26403   115.40323   -44.35206
   37    35 S   O2Z  _O32    31     1.26355   114.98332   136.58127
   38    33 S   CT   _C9_    38     1.54905   111.45532   160.37705
   39    38 S   HC   _H28    39     1.09874   108.98350   -58.71307
   40    33 S   CT   _C10    61     1.55162   114.34555   -69.70004
   41    40 S   HC   _H29    62     1.09984   106.01079    77.46806
   42    38 S   C3T  _C15    40     1.51905   111.48836  -175.59478
   43    38 S   CO4  _C5_    71     1.52488   111.18658    57.20303
   44    43 S   O    _O17    72     1.22690   124.88980   101.63529
   45    43 S   HC   _H21    73     1.10376   115.34095   -77.37232
   46    42 S   C3T  _C8_    41     1.52195   120.91033    31.98425
   47    46 S   HC   _H26    42     1.08651   118.69909   144.39101
   48    46 S   HC   _H27    43     1.08110   121.62291    -1.22397
   49    42 S   C3T  _C14    44     1.49465   119.12290   -38.92596
   50    49 S   CO4  _C4_    45     1.49112   105.74594  -138.61998
   51    50 S   O    _O16    46     1.22061   124.33409  -177.00063
   52    49 S   CT   _C11    52     1.51442   120.48916     4.87218
   53    52 S   HC   _H30    53     1.09941   106.10110   134.05713
   54    50 S   OS   _O18    47     1.36973   109.98391     1.33530
   55    52 S   CT   _C7_    54     1.53971   113.34584  -108.47273
   56    55 S   HC   _H24    55     1.09592   111.51612   -83.05475
   57    55 S   HC   _H25    56     1.09684   110.41462    35.74721
   58    42 S   CO   _C13    48     1.50936   118.82550  -171.34261
   59    58 S   HC   _H32    49     1.09267   113.60685    19.44490
   60    55 S   CT   _C16    57     1.53203   105.62418   154.95237
   61    58 S   OH   _O19    50     1.42194   109.46481  -101.52939
   62    61 S   HO   _H39    51     0.97200   106.84498   159.71123
   63    60 S   CT   _C6_    58     1.53253   101.53546   -39.80930
   64    63 S   HC   _H22    59     1.09444   109.96391   -81.31219
   65    63 S   HC   _H23    60     1.09556   111.59580   159.91891
   66    60 S   CT   _C17    63     1.53724   111.68243    79.17311
   67    66 S   HC   _H33    64     1.09583   110.81881    63.68389
   68    66 S   HC   _H34    65     1.09437   112.56956   -56.59461
   69    66 S   HC   _H35    66     1.09597   110.80385  -176.80102
   70    60 S   CT   _C18    67     1.53086   111.49234  -158.57997
   71    70 S   HC   _H36    68     1.09556   111.03232   -63.37011
   72    70 S   HC   _H37    69     1.09521   110.94548   176.51053
   73    70 S   HC   _H38    70     1.09574   111.53316    56.59618
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  18   8  17   8  17   5   1   1  12   5   4
  13   8   3  12   5   4  14   5   4   3   2  11   1   1  10   3
   2   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    52    63    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    49    58    52    53    55    60    63    64    65    40    41    43    44    45  
   38    39    42    52    63    40    41    43  
   36    37  
   37  
    0  
   39    42    46    47    48    49    50    54    58    59    61    52    63    40    41    43    44    45  
   42    46    49    58    40    43    44    45  
   41    66    70    43    42    46    49    50    52    53    55    56    57    60    63    64    65  
   49    52    53    55    60    63    64    65  
   46    47    48    49    50    51    54    58    59    61    62    52    53    55    43    44    45  
   44    45    46    49    58  
   45  
    0  
   47    48    49    50    51    54    58    59    61    52    53    55  
   48    49    50    58    52  
   49    50    58    52  
   50    51    54    58    59    61    52    53    55    56    57    60    63  
   51    54    58    59    61    52    53    55  
   54    58    52  
   53    55    56    57    60    63    64    65    66    70    54    58  
   55    56    57    60    63  
   58    59    61    62  
   56    57    60    63    64    65    66    67    68    69    70    71    72    73  
   57    60    63    66    70  
   60    63    66    70  
   59    61    62  
   61    62  
   63    64    65    66    67    68    69    70    71    72    73  
   62  
    0  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    70  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.236100   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   275.000  1.510
   38    43   317.000  1.522
   42    46   260.000  1.509
   42    49   260.000  1.509
   42    58   275.000  1.510
   46    47   340.000  1.088
   46    48   340.000  1.088
   46    49   260.000  1.509
   49    50   290.000  1.496
   49    52   275.000  1.510
   50    51   570.000  1.229
   50    54   214.000  1.327
   54    58   320.000  1.380
   58    59   340.000  1.090
   58    61   380.000  1.407
   61    62   553.000  0.945
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    40   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    63   268.000  1.529
   60    66   268.000  1.529
   60    70   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   43    44   570.000  1.229
   43    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.37300
   33    38    43    63.00000  111.10000
   33    40    52    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    42    46    60.00000  120.94000
   38    42    49    60.00000  120.94000
   38    42    58    75.00000  109.43000
   38    43    44    80.00000  120.40000
   38    43    45    35.00000  115.00000
   42    38    39    45.00000  109.38400
   42    46    47    37.50000  117.20000
   42    46    48    37.50000  117.20000
   42    46    49    10.00000   60.00500
   42    49    46    10.00000   60.00500
   42    49    50    65.00000  117.18000
   42    49    52    60.00000  120.94000
   42    58    54    90.00000  108.56700
   42    58    59    45.00000  112.01100
   42    58    61    90.00000  110.19100
   46    49    50    65.00000  117.18000
   46    49    52    60.00000  120.94000
   48    46    47    35.00000  114.30000
   49    42    46    10.00000   60.00500
   49    46    47    37.50000  117.20000
   49    46    48    37.50000  117.20000
   49    50    51    75.00000  121.36600
   49    50    54    81.00000  111.40000
   49    52    53    45.00000  109.38400
   49    52    55    70.00000  112.37300
   49    52    40    70.00000  112.37300
   50    54    58    95.00000  111.08000
   54    50    51    83.00000  123.40000
   54    58    59    35.00000  109.50000
   54    58    61   110.00000  112.08000
   58    42    46    60.00000  120.94000
   58    42    49    60.00000  120.94000
   58    61    62    70.00000  107.92000
   61    58    59    60.00000  108.02500
   52    49    50    63.00000  111.10000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    60    58.35000  112.70000
   52    40    63    58.35000  112.70000
   52    40    41    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    60    63    58.35000  112.70000
   55    60    66    58.35000  112.70000
   55    60    70    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    40    58.35000  112.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   60    70    71    37.50000  110.70000
   60    70    72    37.50000  110.70000
   60    70    73    37.50000  110.70000
   63    40    41    37.50000  110.70000
   65    63    64    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    52    53    37.50000  110.70000
   40    52    55    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   66    60    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    60    63    58.35000  112.70000
   70    60    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    42    63.00000  111.10000
   45    43    44    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    52   0.44750  1.0 1.0
   29    33    40    52  -0.17800 -1.0 2.0
   29    33    40    52   0.20200  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   33    38    42    46   0.07850  1.0 1.0
   33    38    42    46  -0.03950 -1.0 2.0
   33    38    42    46   0.67350  1.0 3.0
   33    38    42    49   0.07850  1.0 1.0
   33    38    42    49  -0.03950 -1.0 2.0
   33    38    42    49   0.67350  1.0 3.0
   33    38    42    58   3.97050  1.0 1.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    45   0.74550  1.0 1.0
   33    38    43    45  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    52   0.15000  1.0 3.0
   34    33    40    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   38    33    40    52   0.56750  1.0 1.0
   38    33    40    52  -0.07550 -1.0 2.0
   38    33    40    52   0.20000  1.0 3.0
   38    33    40    63   0.56750  1.0 1.0
   38    33    40    63  -0.07550 -1.0 2.0
   38    33    40    63   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42    46    48   0.15000  1.0 3.0
   38    42   -46    49   0.07850  1.0 1.0
   38    42   -46    49  -0.03950 -1.0 2.0
   38    42   -46    49   0.67350  1.0 3.0
   38    42   -49    46   0.07850  1.0 1.0
   38    42   -49    46  -0.03950 -1.0 2.0
   38    42   -49    46   0.67350  1.0 3.0
   38    42    49    50  -0.95700  1.0 1.0
   38    42    49    50  -0.18200 -1.0 2.0
   38    42    49    50   0.29450  1.0 3.0
   38    42   -49    52   0.56750  1.0 1.0
   38    42   -49    52  -0.07550 -1.0 2.0
   38    42   -49    52   0.20000  1.0 3.0
   38    42    58    54   0.62750  1.0 1.0
   38    42    58    54  -0.30950 -1.0 2.0
   38    42    58    54   0.27300  1.0 3.0
   38    42    58    59   0.15000  1.0 3.0
   38    42    58    61   0.86500  1.0 1.0
   38    42    58    61  -0.17500 -1.0 2.0
   38    42    58    61   0.20800  1.0 3.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    58   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   42    38    43    44   0.30150 -1.0 2.0
   42    38    43    45   0.74550  1.0 1.0
   42    38    43    45  -0.00500 -1.0 2.0
   42    46   -49    50  -0.95700  1.0 1.0
   42    46   -49    50  -0.18200 -1.0 2.0
   42    46   -49    50   0.29450  1.0 3.0
   42    46   -49    52   0.07850  1.0 1.0
   42    46   -49    52  -0.03950 -1.0 2.0
   42    46   -49    52   0.67350  1.0 3.0
   42    49    50    51   0.30150 -1.0 2.0
   42    49   -50    54   0.36750  1.0 3.0
   42    49    52    53   0.15000  1.0 3.0
   42    49    52    55   0.07850  1.0 1.0
   42    49    52    55  -0.03950 -1.0 2.0
   42    49    52    55   0.67350  1.0 3.0
   42    49    52    40   0.07850  1.0 1.0
   42    49    52    40  -0.03950 -1.0 2.0
   42    49    52    40   0.67350  1.0 3.0
   42    58    61    62  -0.11600  1.0 1.0
   42    58    61    62  -0.09450 -1.0 2.0
   42    58    61    62   0.21250  1.0 3.0
   46    42   -49    50  -0.95700  1.0 1.0
   46    42   -49    50  -0.18200 -1.0 2.0
   46    42   -49    50   0.29450  1.0 3.0
   46    42   -49    52   0.07850  1.0 1.0
   46    42   -49    52  -0.03950 -1.0 2.0
   46    42   -49    52   0.67350  1.0 3.0
   46    42    58    54  -0.26800  1.0 1.0
   46    42    58    54   0.69150 -1.0 2.0
   46    42    58    54  -0.48750  1.0 3.0
   46    42    58    59   0.15000  1.0 3.0
   46    42    58    61   0.86500  1.0 1.0
   46    42    58    61  -0.17500 -1.0 2.0
   46    42    58    61   0.20800  1.0 3.0
   46    49    50    51   0.30150 -1.0 2.0
   46    49   -50    54   0.36750  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    55   0.07850  1.0 1.0
   46    49    52    55  -0.03950 -1.0 2.0
   46    49    52    55   0.67350  1.0 3.0
   46    49    52    40   0.07850  1.0 1.0
   46    49    52    40  -0.03950 -1.0 2.0
   46    49    52    40   0.67350  1.0 3.0
   47    46   -49    42   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46   -49    42   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    42   -46    47   0.15000  1.0 3.0
   49    42   -46    48   0.15000  1.0 3.0
   49    42   -58    54  -0.26800  1.0 1.0
   49    42   -58    54   0.69150 -1.0 2.0
   49    42   -58    54  -0.48750  1.0 3.0
   49    42    58    59   0.15000  1.0 3.0
   49    42    58    61   0.86500  1.0 1.0
   49    42    58    61  -0.17500 -1.0 2.0
   49    42    58    61   0.20800  1.0 3.0
   49    50   -54    58   1.63150  1.0 1.0
   49    50   -54    58   2.92000 -1.0 2.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    60   0.47050  1.0 1.0
   49    52    55    60   0.03900 -1.0 2.0
   49    52    55    60   0.20100  1.0 3.0
   49    52   -40    33   0.47050  1.0 1.0
   49    52   -40    33   0.03900 -1.0 2.0
   49    52   -40    33   0.20100  1.0 3.0
   49    52    40    63   0.47050  1.0 1.0
   49    52    40    63   0.03900 -1.0 2.0
   49    52    40    63   0.20100  1.0 3.0
   49    52    40    41   0.15000  1.0 3.0
   50    49    52    53  -0.11250  1.0 3.0
   50    49    52    55  -0.95700  1.0 1.0
   50    49    52    55  -0.18200 -1.0 2.0
   50    49    52    55   0.29450  1.0 3.0
   50    49    52    40  -0.95700  1.0 1.0
   50    49    52    40  -0.18200 -1.0 2.0
   50    49    52    40   0.29450  1.0 3.0
   50    54   -58    42  -2.60950  1.0 1.0
   50    54   -58    42   1.40200 -1.0 2.0
   50    54   -58    42   0.21950  1.0 3.0
   50    54    58    59   0.08050  1.0 3.0
   50    54    58    61  -3.31650  1.0 1.0
   50    54    58    61   0.10350 -1.0 2.0
   50    54    58    61  -0.05050  1.0 3.0
   51    50    54    58   3.00000 -1.0 2.0
   54    58    61    62  -0.50000  1.0 1.0
   54    58    61    62  -0.73950 -1.0 2.0
   54    58    61    62   0.17150  1.0 3.0
   58    42    46    47   0.15000  1.0 3.0
   58    42    46    48   0.15000  1.0 3.0
   58    42   -46    49   0.07850  1.0 1.0
   58    42   -46    49  -0.03950 -1.0 2.0
   58    42   -46    49   0.67350  1.0 3.0
   58    42   -49    46   0.07850  1.0 1.0
   58    42   -49    46  -0.03950 -1.0 2.0
   58    42   -49    46   0.67350  1.0 3.0
   58    42   -49    50  -0.95700  1.0 1.0
   58    42   -49    50  -0.18200 -1.0 2.0
   58    42   -49    50   0.29450  1.0 3.0
   58    42    49    52   3.97050  1.0 1.0
   59    58    61    62   0.19450  1.0 3.0
   52    49    50    51   0.30150 -1.0 2.0
   52    49    50    54   0.36750  1.0 3.0
   52    55   -60    63   0.56750  1.0 1.0
   52    55   -60    63  -0.07550 -1.0 2.0
   52    55   -60    63   0.20000  1.0 3.0
   52    55    60    66   0.56750  1.0 1.0
   52    55    60    66  -0.07550 -1.0 2.0
   52    55    60    66   0.20000  1.0 3.0
   52    55    60    70   0.56750  1.0 1.0
   52    55    60    70  -0.07550 -1.0 2.0
   52    55    60    70   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    60   0.15000  1.0 3.0
   53    52    40    33   0.15000  1.0 3.0
   53    52    40    63   0.15000  1.0 3.0
   53    52    40    41   0.15000  1.0 3.0
   55    52    40    33   0.56750  1.0 1.0
   55    52    40    33  -0.07550 -1.0 2.0
   55    52    40    33   0.20000  1.0 3.0
   55    52   -40    63   0.56750  1.0 1.0
   55    52   -40    63  -0.07550 -1.0 2.0
   55    52   -40    63   0.20000  1.0 3.0
   55    52    40    41   0.15000  1.0 3.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.15000  1.0 3.0
   55    60   -63    40   0.56750  1.0 1.0
   55    60   -63    40  -0.07550 -1.0 2.0
   55    60   -63    40   0.20000  1.0 3.0
   55    60    66    67   0.15000  1.0 3.0
   55    60    66    68   0.15000  1.0 3.0
   55    60    66    69   0.15000  1.0 3.0
   55    60    70    71   0.15000  1.0 3.0
   55    60    70    72   0.15000  1.0 3.0
   55    60    70    73   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   56    55    60    70   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   57    55    60    66   0.15000  1.0 3.0
   57    55    60    70   0.15000  1.0 3.0
   60    63    40    33   0.56750  1.0 1.0
   60    63    40    33  -0.07550 -1.0 2.0
   60    63    40    33   0.20000  1.0 3.0
   60    63   -40    52   0.56750  1.0 1.0
   60    63   -40    52  -0.07550 -1.0 2.0
   60    63   -40    52   0.20000  1.0 3.0
   60    63    40    41   0.15000  1.0 3.0
   63    60    66    67   0.15000  1.0 3.0
   63    60    66    68   0.15000  1.0 3.0
   63    60    66    69   0.15000  1.0 3.0
   63    60    70    71   0.15000  1.0 3.0
   63    60    70    72   0.15000  1.0 3.0
   63    60    70    73   0.15000  1.0 3.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    52   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   65    63    40    33   0.15000  1.0 3.0
   65    63    40    52   0.15000  1.0 3.0
   65    63    40    41   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.47050  1.0 1.0
   40    33   -38    42   0.03900 -1.0 2.0
   40    33   -38    42   0.20100  1.0 3.0
   40    33    38    43  -0.95700  1.0 1.0
   40    33    38    43  -0.18200 -1.0 2.0
   40    33    38    43   0.29450  1.0 3.0
   40    52    55    56   0.15000  1.0 3.0
   40    52    55    57   0.15000  1.0 3.0
   40    52   -55    60   0.56750  1.0 1.0
   40    52   -55    60  -0.07550 -1.0 2.0
   40    52   -55    60   0.20000  1.0 3.0
   66    60    63    64   0.15000  1.0 3.0
   66    60    63    65   0.15000  1.0 3.0
   66    60    63    40   0.56750  1.0 1.0
   66    60    63    40  -0.07550 -1.0 2.0
   66    60    63    40   0.20000  1.0 3.0
   66    60    70    71   0.15000  1.0 3.0
   66    60    70    72   0.15000  1.0 3.0
   66    60    70    73   0.15000  1.0 3.0
   70    60    63    64   0.15000  1.0 3.0
   70    60    63    65   0.15000  1.0 3.0
   70    60    63    40   0.56750  1.0 1.0
   70    60    63    40  -0.07550 -1.0 2.0
   70    60    63    40   0.20000  1.0 3.0
   70    60    66    67   0.15000  1.0 3.0
   70    60    66    68   0.15000  1.0 3.0
   70    60    66    69   0.15000  1.0 3.0
   43    38    42    46  -0.95700  1.0 1.0
   43    38    42    46  -0.18200 -1.0 2.0
   43    38    42    46   0.29450  1.0 3.0
   43    38    42    49  -0.95700  1.0 1.0
   43    38    42    49  -0.18200 -1.0 2.0
   43    38    42    49   0.29450  1.0 3.0
   43    38    42    58  -0.95700  1.0 1.0
   43    38    42    58  -0.18200 -1.0 2.0
   43    38    42    58   0.29450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   49    54    50    51  10.50000 -1.0 2.0
   38    45    43    44  10.50000 -1.0 2.0
END
