* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    223     404
    1     0 S   NP   _N1_     1    28.51293    97.10357   -23.93636
    2     1 S   H    _HN1     2     1.02957    77.02395   -13.64189
    3     1 S   H    _H1_     3     1.02837    30.56865   155.69800
    4     1 S   H    _H2_     4     1.02778   113.19779  -118.24982
    5     1 S   CT   _CA1     5     1.50148   128.23093    92.25816
    6     5 S   HC   _HA1     6     1.09575   105.20242    88.39728
    7     5 S   CO3  _C1_     7     1.53764   112.23313   -31.78082
    8     7 S   O2Z  _O11     8     1.26369   114.99204   -46.16130
    9     7 S   O2Z  _O12     9     1.26214   114.90934   132.72189
   10     5 S   CT   _CB1    10     1.53070   107.39819  -153.73452
   11    10 S   HC   HB11    11     1.09834   109.31242   -50.19538
   12    10 S   HC   HB12    12     1.09815   110.44841    66.32903
   13    10 S   CT   _CG1    13     1.53058   112.72445  -171.21712
   14    13 S   HC   HG11    14     1.09588   110.58401   -65.01023
   15    13 S   HC   HG12    15     1.09656   109.87558    54.24627
   16    13 S   C    _CD1    16     1.51853   112.09323   174.61580
   17    16 S   O    _OE1    17     1.22781   123.21250     4.26884
   18    16 S   N    _N2_    18     1.38562   111.91754  -175.86237
   19    18 S   H    _HN2    19     1.01597   119.15927     3.75942
   20    18 S   CT1  _CA2    20     1.45881   122.64697   177.57747
   21    20 S   HC   _HA2    21     1.09721   108.84513    26.32265
   22    20 S   C    _C2_    22     1.52849   106.62121   -90.98318
   23    22 S   O    _O2_    23     1.22989   122.84979   -34.05219
   24    20 S   CT   _CB2    32     1.53253   112.32153   149.59260
   25    24 S   HC   HB21    33     1.09379   109.43727    54.51920
   26    24 S   HC   HB22    34     1.09420   109.60333   173.31745
   27    22 S   N    _N3_    24     1.38442   112.67058   148.32473
   28    27 S   H    _HN3    25     1.01641   120.36068     0.15702
   29    24 S   S    _SG2    35     1.82522   110.44446   -67.23876
   30    27 S   CT   _CA3    26     1.45391   122.58363   178.96789
   31    30 S   HC   HA31    27     1.09546   107.32219   -71.90750
   32    30 S   HC   HA32    28     1.09572   108.23773    44.54559
   33    29 S   CT   _C18    36     1.86203   102.76558   164.56448
   34    30 S   CO3  _C3_    29     1.52915   114.19987   167.04680
   35    34 S   O2Z  _O31    30     1.26342   116.02046    10.17345
   36    34 S   O2Z  _O32    31     1.26445   114.45018  -169.75788
   37    33 S   CM   _C17    37     1.50362   110.14703   -62.48775
   38    37 S   HC   _H14    38     1.08884   116.76655    80.73700
   39    33 S   NE   _N5_    51     1.48055   112.76120    67.60226
   40    37 S   CMA  _C16    39     1.35223   126.52562   -96.79778
   41    40 S   OM   _O34    40     1.26248   129.16419   176.85253
   42    39 S   CM   _C10    52     1.39069   125.69328   -77.84911
   43    42 S   HC   _H10    53     1.08228   111.09984    -3.48195
   44    40 S   CO4  _C15    41     1.52322   115.48277    -2.87555
   45    44 S   O    _O33    42     1.23029   123.02038   166.26388
   46    42 S   CM   _C9_    54     1.34276   129.79396   175.81423
   47    46 S   HC   _H9_    55     1.08794   118.24164     0.10835
   48    44 S   CM   _C14    43     1.48320   118.35117   -16.94266
   49    48 S   HC   _H13    44     1.08282   117.97940  -158.74307
   50    46 S   CM   _C8_    56     1.46060   126.67645  -178.65012
   51    33 S   CM   _C13    45     1.50511   105.69054   177.86678
   52    50 S   CM   _C7_    57     1.34847   119.73970   176.47608
   53    52 S   HC   _H8_    58     1.08596   120.61520     1.29044
   54    51 S   CT   _C12    46     1.49351   109.48688   -89.27168
   55    54 S   HC   _H11    47     1.09603   109.76748    84.66502
   56    54 S   HC   _H12    48     1.09489   113.29809  -154.14090
   57    52 S   CM   _C6_    59     1.44573   121.95428  -176.96133
   58    54 S   CT1  _C11    49     1.52995   101.51869   -32.15397
   59    58 S   HC   _H4_    50     1.09755   109.23090   141.58899
   60    57 S   NE   _N4_    60     1.37635   118.45287    -7.78341
   61    60 S   H    _H7_    61     1.01616   115.24647  -175.19605
   62    57 S   CMA  _C20    70     1.53097   120.65108   171.79455
   63    62 S   OM   _O38    71     1.26519   122.13203   -23.66454
   64    62 S   OM   _O37    72     1.26573   120.37345   157.25613
   65    60 S   CT1  _C5_    62     1.45097   124.51163    -8.97682
   66    65 S   HC   _H3_    63     1.09796   108.59893   147.00041
   67    58 S   CO3  _C19    73     1.53732   108.76255   -98.42267
   68    67 S   O2Z  _O36    74     1.26324   116.75916    66.96504
   69    67 S   O2Z  _O35    75     1.26636   114.28947  -111.88530
   70    50 S   CT   _C4_    64     1.51996   120.07162    -1.81628
   71    70 S   HC   _H5_    65     1.09612   110.81519   -38.90636
   72    70 S   HC   _H6_    66     1.09904   107.17658    76.87024
   73    65 S   CO3  _C21    67     1.54294   106.67815   -98.93288
   74    73 S   O2Z  _O40    68     1.26318   116.73134   108.97301
   75    73 S   O2Z  _O39    69     1.26787   114.56586   -72.54094
  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
  18   2   1   1  11   5  16   6   3  11   4   5   3  10   3   6
   2  11   6  11   4   7   4   3   9   4   3  12   5   3   1   1
   7   6   2   1   1   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    51    54    58    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    48    49    51    54    55    56    58    59    39    42    43    46    67  
   35    36  
   36  
    0  
   38    40    41    44    45    48    51    54    58    39    42  
   40    41    44    51    39  
   42    43    46    47    50    67    68    69    40    48    51    54    55    56    58    59  
   41    44    45    48    49    51  
   44    45    48  
   43    46    47    50    52    70    67    51    54    58    59  
   46    47    50    58  
   45    48    49    51    54  
   48    49    51  
   47    50    52    53    57    65    70    71    72    58  
   50    52    70  
   49    51    54    55    56    58  
   51    54  
   52    53    57    60    65    66    70    71    72    73    62  
   54    55    56    58    59    67  
   53    57    60    61    65    70    71    72    62    63    64  
   57    60    70    62  
   55    56    58    59    67    68    69  
   56    58    59    67  
   58    59    67  
   60    61    65    66    70    73    62    63    64  
   59    67    68    69  
   67    68    69  
   61    65    66    70    71    72    73    74    75    62    63    64  
   65    66    70    73    62  
   63    64    65  
   64  
    0  
   66    70    71    72    73    74    75  
   70    71    72    73    74    75  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73  
   73  
   74    75  
   75  
    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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   64   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   317.000  1.510
   33    39   382.000  1.448
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    44   270.000  1.476
   44    45   570.000  1.229
   44    48   320.000  1.462
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    39   382.000  1.448
   58    67   317.000  1.522
   39    42   425.000  1.378
   42    43   340.000  1.080
   42    46   549.000  1.340
   46    47   340.000  1.080
   46    50   380.000  1.444
   50    52   549.000  1.340
   50    70   317.000  1.510
   52    53   340.000  1.080
   52    57   380.000  1.444
   57    60   425.000  1.378
   57    62   465.000  1.376
   60    61   434.000  1.010
   60    65   382.000  1.448
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    73   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   73    74   656.000  1.250
   73    75   656.000  1.250
   62    63   745.000  1.250
   62    64   745.000  1.250
   67    68   656.000  1.250
   67    69   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  112.20000
   29    33    39    80.00000  108.62000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    51    48    70.00000  124.00000
   33    51    54    65.00000  117.92700
   33    39    58    50.00000  115.00000
   33    39    42    50.00000  121.00000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  114.61000
   40    37    38    40.00000  120.50800
   40    44    45    80.00000  120.81000
   40    44    48    65.00000  118.65900
   44    40    41    85.00000  116.28000
   44    48    49    40.00000  117.72500
   44    48    51    65.00000  118.96000
   48    44    45    80.00000  123.72100
   48    51    54    70.00000  124.00000
   51    33    37    70.00000  110.12100
   51    48    49    35.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    58    70.00000  112.02700
   54    58    59    37.50000  110.70000
   54    58    39    80.00000  111.61500
   54    58    67    63.00000  111.10000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    39    42    50.00000  121.00000
   58    67    68    70.00000  117.00000
   58    67    69    70.00000  117.00000
   39    33    37    80.00000  112.42400
   39    33    51    80.00000  112.42400
   39    58    59    35.00000  109.50000
   39    42    43    50.00000  112.30800
   39    42    46    70.00000  124.03900
   42    46    47    35.00000  120.00000
   42    46    50    70.00000  123.01800
   46    42    43    35.00000  120.00000
   46    50    52    70.00000  123.01800
   46    50    70    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    57    70.00000  123.01800
   50    70    65    70.00000  112.02700
   50    70    71    35.00000  109.50000
   50    70    72    35.00000  109.50000
   52    57    60    70.00000  124.03900
   52    57    62    70.00000  117.34000
   57    52    53    35.00000  120.00000
   57    60    61    35.00000  114.50000
   57    60    65    50.00000  121.00000
   57    62    63    65.00000  137.10300
   57    62    64    65.00000  137.10300
   60    65    66    35.00000  109.50000
   60    65    70    80.00000  111.61500
   60    65    73    63.00000  110.10000
   65    60    61    35.00000  112.50000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    73    74    70.00000  117.00000
   65    73    75    70.00000  117.00000
   70    50    52    70.00000  124.00000
   70    65    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    65    66    35.00000  109.50000
   73    65    70    63.00000  111.10000
   75    73    74    80.00000  126.00000
   62    57    60    70.00000  124.03900
   64    62    63    65.00000  121.00000
   67    58    59    35.00000  109.50000
   67    58    39    63.00000  110.10000
   69    67    68    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    48   0.42700  1.0 1.0
   29    33    51    48  -0.70350 -1.0 2.0
   29    33    51    48  -0.43150  1.0 3.0
   29    33    51    54   0.30250  1.0 1.0
   29    33    51    54  -0.14950 -1.0 2.0
   29    33    51    54   0.36900  1.0 3.0
   29    33    39    58   0.00000  1.0 1.0
   29    33    39    42  -0.12500  1.0 1.0
   29    33    39    42  -0.12500 -1.0 2.0
   29    33    39    42   0.25000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    51    54    55   0.34800  1.0 3.0
   33    51    54    56   0.34800  1.0 3.0
   33    51   -54    58   0.46850  1.0 1.0
   33    51   -54    58   0.08550 -1.0 2.0
   33    51   -54    58   0.09800  1.0 3.0
   33    39    42    43   0.00000  1.0 1.0
   33    39    42    46  -0.54700  1.0 1.0
   33    39    42    46   1.23000 -1.0 2.0
   37    33    51    48  -0.28300  1.0 1.0
   37    33    51    48   0.26700 -1.0 2.0
   37    33    51    48  -0.63300  1.0 3.0
   37    33    51    54   0.09700  1.0 1.0
   37    33    51    54   0.15600 -1.0 2.0
   37    33    51    54  -0.50800  1.0 3.0
   37    33    39    58   0.00000  1.0 1.0
   37    33    39    42  -0.12500  1.0 1.0
   37    33    39    42  -0.12500 -1.0 2.0
   37    33    39    42   0.25000  1.0 3.0
   37    40    44    45   1.00000 -1.0 2.0
   37    40   -44    48  -1.18350  1.0 1.0
   37    40   -44    48   1.45950 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    44   7.00000 -1.0 2.0
   40    44    48    49   0.93700 -1.0 2.0
   40    44    48    51  -1.18350  1.0 1.0
   40    44    48    51   1.45950 -1.0 2.0
   41    40    44    45  -0.11900  1.0 1.0
   41    40    44    45   0.76850 -1.0 2.0
   41    40    44    45   0.14100  1.0 3.0
   41    40    44    48   1.50000 -1.0 2.0
   44    48   -51    33   7.00000 -1.0 2.0
   44    48    51    54   7.00000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   1.00000 -1.0 2.0
   48    51    54    55   0.00000  1.0 1.0
   48    51    54    56   0.00000  1.0 1.0
   48    51    54    58   0.09850  1.0 1.0
   48    51    54    58   0.15250 -1.0 2.0
   48    51    54    58  -0.50650  1.0 3.0
   49    48    51    33   7.00000 -1.0 2.0
   49    48    51    54   7.00000 -1.0 2.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40  -0.28300  1.0 1.0
   51    33   -37    40   0.26700 -1.0 2.0
   51    33   -37    40  -0.63300  1.0 3.0
   51    33   -39    58   0.00000  1.0 1.0
   51    33    39    42  -0.12500  1.0 1.0
   51    33    39    42  -0.12500 -1.0 2.0
   51    33    39    42   0.25000  1.0 3.0
   51    54    58    59   0.15000  1.0 3.0
   51    54   -58    39   0.21700  1.0 1.0
   51    54   -58    39   0.68550 -1.0 2.0
   51    54   -58    39  -0.27950  1.0 3.0
   51    54    58    67  -0.98800  1.0 1.0
   51    54    58    67   0.48800 -1.0 2.0
   51    54    58    67   0.76800  1.0 3.0
   54    58   -39    33   0.00000  1.0 1.0
   54    58    39    42   0.25450  1.0 1.0
   54    58    39    42  -0.61700 -1.0 2.0
   54    58    39    42  -0.23550  1.0 3.0
   54    58    67    68   0.00000  1.0 1.0
   54    58    67    69   0.00000  1.0 1.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    39   0.22950  1.0 3.0
   55    54    58    67  -0.03800  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    39   0.22950  1.0 3.0
   56    54    58    67  -0.03800  1.0 3.0
   58    39    42    43   0.00000  1.0 1.0
   58    39    42    46  -0.54700  1.0 1.0
   58    39    42    46   1.23000 -1.0 2.0
   59    58    39    33   0.00000  1.0 1.0
   59    58    39    42   0.00000  1.0 1.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    69   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.62150  1.0 1.0
   39    33    37    40   0.42850 -1.0 2.0
   39    33    37    40  -0.68200  1.0 3.0
   39    33    51    48   0.62150  1.0 1.0
   39    33    51    48   0.42850 -1.0 2.0
   39    33    51    48  -0.68200  1.0 3.0
   39    33   -51    54   0.09700  1.0 1.0
   39    33   -51    54   0.15600 -1.0 2.0
   39    33   -51    54  -0.50800  1.0 3.0
   39    58    67    68   0.00000  1.0 1.0
   39    58    67    69   0.00000  1.0 1.0
   39    42    46    47   7.00000 -1.0 2.0
   39    42    46    50   7.00000 -1.0 2.0
   42    46    50    52   0.28850  1.0 1.0
   42    46    50    52   2.61350 -1.0 2.0
   42    46    50    52   0.78400  1.0 3.0
   42    46    50    70  -0.18600  1.0 3.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    50   7.00000 -1.0 2.0
   46    50    52    53   7.00000 -1.0 2.0
   46    50    52    57   7.00000 -1.0 2.0
   46    50    70    65   0.98200  1.0 1.0
   46    50    70    65  -0.11900 -1.0 2.0
   46    50    70    65   0.24250  1.0 3.0
   46    50    70    71   0.00000  1.0 1.0
   46    50    70    72   0.00000  1.0 1.0
   47    46    50    52  -0.18600  1.0 3.0
   47    46    50    70   0.00000  1.0 1.0
   50    52    57    60  -0.18600  1.0 3.0
   50    52    57    62   0.28850  1.0 1.0
   50    52    57    62   2.61350 -1.0 2.0
   50    52    57    62   0.78400  1.0 3.0
   52    50    70    65   0.09850  1.0 1.0
   52    50    70    65   0.15250 -1.0 2.0
   52    50    70    65  -0.50650  1.0 3.0
   52    50    70    71   0.00000  1.0 1.0
   52    50    70    72   0.00000  1.0 1.0
   52    57    60    61   1.00000 -1.0 2.0
   52    57   -60    65  -0.54700  1.0 1.0
   52    57   -60    65   1.23000 -1.0 2.0
   52    57    62    63   7.00000 -1.0 2.0
   52    57    62    64   7.00000 -1.0 2.0
   53    52    57    60   0.00000  1.0 1.0
   53    52    57    62  -0.18600  1.0 3.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    70   0.25450  1.0 1.0
   57    60    65    70  -0.61700 -1.0 2.0
   57    60    65    70  -0.23550  1.0 3.0
   57    60    65    73  -0.12500  1.0 1.0
   57    60    65    73  -0.12500 -1.0 2.0
   57    60    65    73   0.25000  1.0 3.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   60    65   -70    50   0.21700  1.0 1.0
   60    65   -70    50   0.68550 -1.0 2.0
   60    65   -70    50  -0.27950  1.0 3.0
   60    65    70    71   0.22950  1.0 3.0
   60    65    70    72   0.22950  1.0 3.0
   60    65    73    74   0.00000  1.0 1.0
   60    65    73    75   0.00000  1.0 1.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    70   0.00000  1.0 1.0
   61    60    65    73   0.00000  1.0 1.0
   66    65    70    50   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    73    74   0.00000  1.0 1.0
   66    65    73    75   0.00000  1.0 1.0
   70    50    52    53   7.00000 -1.0 2.0
   70    50   -52    57   7.00000 -1.0 2.0
   70    65    73    74   0.00000  1.0 1.0
   70    65    73    75   0.00000  1.0 1.0
   73    65    70    50  -0.98800  1.0 1.0
   73    65    70    50   0.48800 -1.0 2.0
   73    65    70    50   0.76800  1.0 3.0
   73    65    70    71  -0.03800  1.0 3.0
   73    65    70    72  -0.03800  1.0 3.0
   62    57    60    61   1.00000 -1.0 2.0
   62    57    60    65  -0.54700  1.0 1.0
   62    57    60    65   1.23000 -1.0 2.0
   67    58    39    33   0.00000  1.0 1.0
   67    58    39    42  -0.12500  1.0 1.0
   67    58    39    42  -0.12500 -1.0 2.0
   67    58    39    42   0.25000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   40    48    44    45  10.50000 -1.0 2.0
   44    49    48    51   1.10000 -1.0 2.0
   33    54    51    48   1.10000 -1.0 2.0
   58    42    39    33   1.00000 -1.0 2.0
   39    43    42    46  15.00000 -1.0 2.0
   50    47    46    42  15.00000 -1.0 2.0
   46    70    50    52   1.10000 -1.0 2.0
   57    53    52    50   1.10000 -1.0 2.0
   52    60    57    62   1.10000 -1.0 2.0
   61    57    60    65   1.00000 -1.0 2.0
   74    65    73    75  10.50000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
   68    58    67    69  10.50000 -1.0 2.0
END
