* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    207     398
    1     0 S   NP   _N1_     1    29.22489    98.09713   -19.86599
    2     1 S   H    _HN1     2     1.02762    80.21959   -71.78999
    3     1 S   H    _H1_     3     1.02943    73.82541    40.85144
    4     1 S   H    _H2_     4     1.02823    53.53047   167.00393
    5     1 S   CT   _CA1     5     1.50259   163.34046   147.74852
    6     5 S   HC   _HA1     6     1.09587   104.97154    75.85309
    7     5 S   CO3  _C1_     7     1.53954   112.75947   -43.47124
    8     7 S   O2Z  _O11     8     1.26370   115.01138   -27.57651
    9     7 S   O2Z  _O12     9     1.26274   115.05882   151.15567
   10     5 S   CT   _CB1    10     1.53142   107.23840  -166.44714
   11    10 S   HC   HB11    11     1.09822   109.23140   -48.37021
   12    10 S   HC   HB12    12     1.09791   110.33983    68.15227
   13    10 S   CT   _CG1    13     1.52902   112.83172  -169.44069
   14    13 S   HC   HG11    14     1.09456   110.31267   -68.63251
   15    13 S   HC   HG12    15     1.09672   109.91573    50.52924
   16    13 S   C    _CD1    16     1.51805   112.71450   170.95895
   17    16 S   O    _OE1    17     1.22697   123.40198     2.74802
   18    16 S   N    _N2_    18     1.38636   111.43751  -177.12376
   19    18 S   H    _HN2    19     1.01595   118.81888     0.26393
   20    18 S   CT1  _CA2    20     1.46271   123.65578   178.10442
   21    20 S   HC   _HA2    21     1.09738   109.40665   -10.26977
   22    20 S   C    _C2_    22     1.53402   108.09413  -125.66994
   23    22 S   O    _O2_    23     1.23017   122.44258  -146.85378
   24    20 S   CT   _CB2    32     1.53364   111.29926   112.13764
   25    24 S   HC   HB21    33     1.09370   109.38542    54.15140
   26    24 S   HC   HB22    34     1.09503   110.74433   172.39186
   27    22 S   N    _N3_    24     1.38388   113.39843    40.59645
   28    27 S   H    _HN3    25     1.01646   119.49505    -3.53142
   29    24 S   S    _SG2    35     1.82889   110.85937   -69.05530
   30    27 S   CT   _CA3    26     1.45283   123.12932   177.00010
   31    30 S   HC   HA31    27     1.09551   107.54388   -63.51070
   32    30 S   HC   HA32    28     1.09558   107.92579    52.89331
   33    29 S   CT   _C15    36     1.85563   102.17161   141.38700
   34    30 S   CO3  _C3_    29     1.52935   114.13687   174.88090
   35    34 S   O2Z  _O31    30     1.26363   116.06422    -0.19383
   36    34 S   O2Z  _O32    31     1.26427   114.41089   179.85735
   37    33 S   CT   _C14    37     1.56481   111.65779  -176.30960
   38    37 S   HC   _H32    38     1.10142   105.36480  -177.55056
   39    33 S   CT   _C17    73     1.53663   109.51625    60.56309
   40    39 S   HC   _H36    74     1.09570   112.30582   -64.89192
   41    39 S   HC   _H37    75     1.09687   110.63386   176.73913
   42    39 S   HC   _H38    76     1.09548   112.14098    56.69604
   43    37 S   CT   _C13    39     1.57587   113.18640    66.02292
   44    43 S   HC   _H31    40     1.09481   107.73745   -74.21530
   45    37 S   CO4  _C12    66     1.52481   113.25047   -64.98433
   46    45 S   O    _O20    67     1.22627   122.69906   -95.91605
   47    43 S   CA   _C8_    41     1.53885   111.01582   166.70154
   48    43 S   CM   _C10    55     1.51949   109.26240    41.33737
   49    45 S   OS   _O22    68     1.35806   112.04413    82.52237
   50    47 S   CA   _C6_    42     1.41306   118.77028   -58.76738
   51    50 S   HA   _H29    43     1.08798   120.59047    -0.94709
   52    48 S   CM   _C11    56     1.34855   125.36928   -12.58252
   53    48 S   NO2  _N18    63     1.44142   116.57454   169.75358
   54    53 S   ON   _O19    64     1.23617   116.67079    74.91494
   55    53 S   ON   _O21    65     1.23768   117.21132  -104.59234
   56    49 S   CT   _C18    69     1.43071   115.52269  -178.71824
   57    56 S   HC   _H39    70     1.09324   108.06845   179.47623
   58    56 S   HC   _H40    71     1.09418   110.31906    60.78677
   59    56 S   HC   _H41    72     1.09417   110.22443   -61.88860
   60    50 S   CA   _C4_    44     1.39394   121.65961   179.71676
   61    60 S   HA   _H27    45     1.08609   120.03878  -179.83098
   62    33 S   NE   _N17    57     1.46431   109.42017   -58.37542
   63    62 S   H    _H42    58     1.01545   118.24654    85.51346
   64    52 S   CT   _C16    59     1.50813   126.22579   179.17576
   65    64 S   HC   _H33    60     1.09584   110.11261   127.40458
   66    64 S   HC   _H34    61     1.09267   113.98647     7.43213
   67    64 S   HC   _H35    62     1.09520   109.85585  -113.62872
   68    60 S   CA   _C5_    46     1.38652   119.78928     0.32325
   69    68 S   HA   _H28    47     1.08607   120.17699  -179.88986
   70    68 S   CA   _C7_    48     1.39335   119.74207     0.58917
   71    70 S   HA   _H30    49     1.08826   118.13020   179.46808
   72    47 S   CA   _C9_    50     1.41656   122.93437   122.61201
   73    72 S   CT   _C19    51     1.51026   123.44259     0.36045
   74    73 S   F    _F23    52     1.36470   113.61691   172.02208
   75    73 S   F    _F24    53     1.35980   112.74758   -68.37581
   76    73 S   F    _F25    54     1.36030   113.30438    52.27639
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  15  12
   4   8   4   9   4   1   1   3   2   1   1   6   3   5   1   3
   2   1   1   5   3   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    62    63    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    62    63    64    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    72    48    52    62    63    53    45    46    49    56    39    40    41    42  
   43    44    47    48    62    45    46    49    39  
   40    41    42    43    45    52    62    63  
   41    42    62  
   42    62  
   62  
   44    47    50    51    60    70    72    73    48    52    62    64    53    54    55    45    46    49  
   47    50    72    48    52    53    45  
   46    49    56    57    58    59    47    48    62  
   49    56  
   50    51    60    61    68    70    71    72    73    74    75    76    48    52    53  
   52    62    63    64    65    66    67    53    54    55    50    72  
   56    57    58    59  
   51    60    61    68    69    70    72    73  
   60    61    68    72  
   62    63    64    65    66    67    53    54    55  
   54    55    62    64  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    68    69    70    71    72  
   68    69    70  
   63    64    65    66    67  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74    75    76  
   72    73  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.402800   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   75   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   76   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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   268.000  1.529
   33    62   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    72   469.000  1.400
   50    51   367.000  1.080
   50    60   469.000  1.400
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   317.000  1.510
   73    74   367.000  1.332
   73    75   367.000  1.332
   73    76   367.000  1.332
   48    52   549.000  1.340
   48    53   325.000  1.425
   52    62   425.000  1.378
   52    64   317.000  1.510
   62    63   434.000  1.010
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   53    54   550.000  1.225
   53    55   550.000  1.225
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  111.63000
   29    33    62    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    62    52    50.00000  121.00000
   33    62    63    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    72    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    70.00000  113.98000
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    60    63.00000  120.00000
   47    72    70    63.00000  120.00000
   47    72    73    70.00000  120.00000
   50    60    61    35.00000  120.00000
   50    60    68    63.00000  120.00000
   60    50    51    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    70    63.00000  120.00000
   68    60    61    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    70.00000  120.00000
   72    47    50    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    50.00000  109.50000
   72    73    75    50.00000  109.50000
   72    73    76    50.00000  109.50000
   75    73    74    77.00000  109.10000
   76    73    74    77.00000  109.10000
   76    73    75    77.00000  109.10000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    62    70.00000  124.03900
   48    52    64    70.00000  124.00000
   48    53    54    90.00000  119.02900
   48    53    55    90.00000  119.02900
   52    62    63    35.00000  114.50000
   52    64    65    35.00000  109.50000
   52    64    66    35.00000  109.50000
   52    64    67    35.00000  109.50000
   62    33    37    80.00000  111.61500
   64    52    62    75.00000  116.24600
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   53    48    52    70.00000  118.30600
   55    53    54    80.00000  125.30000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    56    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    62    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    62    52  -0.12500  1.0 1.0
   29    33    62    52  -0.12500 -1.0 2.0
   29    33    62    52   0.25000  1.0 3.0
   29    33    62    63  -0.12500  1.0 1.0
   29    33    62    63  -0.12500 -1.0 2.0
   29    33    62    63   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    62    52   0.25450  1.0 1.0
   37    33    62    52  -0.61700 -1.0 2.0
   37    33    62    52  -0.23550  1.0 3.0
   37    33    62    63   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    72   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    56   1.63150  1.0 1.0
   37    45    49    56   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    60   3.62500 -1.0 2.0
   43    47    72    70   3.62500 -1.0 2.0
   43    47    72    73   3.62500 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    52    64   7.00000 -1.0 2.0
   43    48    53    54   0.01550  1.0 1.0
   43    48    53    54   0.69950 -1.0 2.0
   43    48    53    54   0.02600  1.0 3.0
   43    48    53    55   0.01550  1.0 1.0
   43    48    53    55   0.69950 -1.0 2.0
   43    48    53    55   0.02600  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    72   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    60    61   3.62500 -1.0 2.0
   47    50    60    68   3.62500 -1.0 2.0
   47    72    73    74   0.00000  1.0 1.0
   47    72    73    75   0.00000  1.0 1.0
   47    72    73    76   0.00000  1.0 1.0
   50    47    72    70   3.62500 -1.0 2.0
   50    47    72    73   3.62500 -1.0 2.0
   50    60    68    69   3.62500 -1.0 2.0
   50    60   -68    70   3.62500 -1.0 2.0
   51    50    60    61   3.62500 -1.0 2.0
   51    50    60    68   3.62500 -1.0 2.0
   60    68    70    71   3.62500 -1.0 2.0
   60    68    70    72   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    60    68    70   3.62500 -1.0 2.0
   68    70   -72    47   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   71    70    72    47   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    47    50    51   3.62500 -1.0 2.0
   72    47   -50    60   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    72   0.18050 -1.0 2.0
   48    52   -62    33  -0.54700  1.0 1.0
   48    52   -62    33   1.23000 -1.0 2.0
   48    52    62    63   1.00000 -1.0 2.0
   48    52    64    65   0.00000  1.0 1.0
   48    52    64    66   0.00000  1.0 1.0
   48    52    64    67   0.00000  1.0 1.0
   52    48    53    54   0.65450 -1.0 2.0
   52    48    53    55   0.65450 -1.0 2.0
   62    33    37    38   0.22950  1.0 3.0
   62    33   -37    43   1.26750  1.0 1.0
   62    33   -37    43  -0.00950 -1.0 2.0
   62    33   -37    43   0.30600  1.0 3.0
   62    33    37    45  -2.10200  1.0 1.0
   62    33    37    45  -0.31600 -1.0 2.0
   62    33    37    45   0.13050  1.0 3.0
   62    33    39    40   0.22950  1.0 3.0
   62    33    39    41   0.22950  1.0 3.0
   62    33    39    42   0.22950  1.0 3.0
   62    52    64    65  -0.18050  1.0 3.0
   62    52    64    66  -0.18050  1.0 3.0
   62    52    64    67  -0.18050  1.0 3.0
   64    52    62    33   1.00000 -1.0 2.0
   64    52    62    63   2.40850 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   53    48    52    64   7.00000 -1.0 2.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    56    57   0.08050  1.0 3.0
   45    49    56    58   0.08050  1.0 3.0
   45    49    56    59   0.08050  1.0 3.0
   46    45    49    56   3.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    62    52   0.25450  1.0 1.0
   39    33    62    52  -0.61700 -1.0 2.0
   39    33    62    52  -0.23550  1.0 3.0
   39    33    62    63   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   50    72    47    43   4.00000 -1.0 2.0
   60    51    50    47   1.10000 -1.0 2.0
   68    61    60    50   1.10000 -1.0 2.0
   70    69    68    60   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    73    72    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   64    62    52    48   1.10000 -1.0 2.0
   63    52    62    33   1.00000 -1.0 2.0
   55    48    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
