* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    116    176     344
    1     0 S   NP   _N1_     1    28.75203    95.34180   -23.72859
    2     1 S   H    _HN1     2     1.02785   105.35075   -87.95759
    3     1 S   H    _H1_     3     1.02951    77.92531    18.02253
    4     1 S   H    _H2_     4     1.02829    32.16726   172.72848
    5     1 S   CT   _CA1     5     1.50107   135.57004   124.94715
    6     5 S   HC   _HA1     6     1.09573   105.20757    84.16736
    7     5 S   CO3  _C1_     7     1.53800   112.45844   -36.08513
    8     7 S   O2Z  _O11     8     1.26372   115.01072   -42.69169
    9     7 S   O2Z  _O12     9     1.26242   114.94942   136.48105
   10     5 S   CT   _CB1    10     1.53085   107.42534  -157.84083
   11    10 S   HC   HB11    11     1.09831   109.40383   -49.75336
   12    10 S   HC   HB12    12     1.09814   110.43279    66.86483
   13    10 S   CT   _CG1    13     1.52978   112.58513  -170.74055
   14    13 S   HC   HG11    14     1.09588   110.59483   -64.83192
   15    13 S   HC   HG12    15     1.09668   109.82363    54.39082
   16    13 S   C    _CD1    16     1.51794   112.29090   174.85505
   17    16 S   O    _OE1    17     1.22721   123.31750     4.93388
   18    16 S   N    _N2_    18     1.38639   111.60543  -175.15896
   19    18 S   H    _HN2    19     1.01579   118.92449     2.00428
   20    18 S   CT1  _CA2    20     1.46219   123.45235   178.28274
   21    20 S   HC   _HA2    21     1.09733   109.41805     1.88346
   22    20 S   C    _C2_    22     1.53530   108.57395  -113.66864
   23    22 S   O    _O2_    23     1.23056   122.29470  -147.66845
   24    20 S   CT   _CB2    32     1.53397   111.38561   123.94977
   25    24 S   HC   HB21    33     1.09462   109.64214    56.55937
   26    24 S   HC   HB22    34     1.09475   109.98068   175.33419
   27    22 S   N    _N3_    24     1.38335   113.68301    39.76191
   28    27 S   H    _HN3    25     1.01590   119.57318    -3.31930
   29    24 S   S    _SG2    35     1.83073   111.17195   -65.45845
   30    27 S   CT   _CA3    26     1.45286   123.19605   177.12499
   31    30 S   HC   HA31    27     1.09550   107.50847   -64.55861
   32    30 S   HC   HA32    28     1.09557   107.98296    51.87329
   33    29 S   CT   _C10    36     1.86787   101.79273   162.12085
   34    30 S   CO3  _C3_    29     1.52955   114.09471   173.87081
   35    34 S   O2Z  _O31    30     1.26373   116.06975    -0.73648
   36    34 S   O2Z  _O32    31     1.26429   114.41143   179.32507
   37    33 S   CT   _C9_    37     1.55353   109.04891   -64.56626
   38    37 S   HC   _H12    38     1.09805   109.70390   106.79994
   39    37 S   HC   _H13    39     1.09747   112.02535    -9.90330
   40    33 S   CT   _C13    60     1.54149   108.50150    56.46060
   41    40 S   HC   _H17    61     1.09591   112.06510    54.79989
   42    40 S   HC   _H18    62     1.09515   112.16241   -66.59199
   43    40 S   HC   _H19    63     1.09497   111.29413   174.72519
   44    37 S   CT   _C8_    40     1.53375   114.45810  -131.35927
   45    44 S   HC   _H10    41     1.09773   108.76487    79.77939
   46    44 S   HC   _H11    42     1.09725   108.90048  -164.65403
   47    44 S   CT   _C7_    43     1.53150   111.67630   -42.27214
   48    47 S   HC   _H3_    44     1.10010   105.96877   -55.49511
   49    47 S   CT   _C12    45     1.53854   111.36398    60.07668
   50    49 S   HC   _H14    46     1.09764   111.82219   103.95161
   51    49 S   HC   _H15    47     1.09896   108.89051  -141.75169
   52    47 S   CM   _C5_    52     1.52154   112.88411  -172.99397
   53    33 S   CT   _C11    48     1.55301   106.79292   175.90179
   54    53 S   HC   _H4_    49     1.09876   109.38756    53.69971
   55    52 S   CM   _C6_    53     1.34348   120.94284   127.22219
   56    55 S   HC   _H8_    54     1.08518   121.47169  -179.84051
   57    55 S   HC   _H9_    55     1.08511   121.53406     0.23070
   58    52 S   CT   _C4_    56     1.50474   118.50512   -52.57186
   59    58 S   HC   _H5_    57     1.09388   111.02044   -54.42061
   60    58 S   HC   _H6_    58     1.09437   110.61046    66.17247
   61    58 S   HC   _H7_    59     1.09556   111.92507  -174.19971
   62    53 S   OH   _O33    50     1.42927   111.23221   -64.20183
   63    62 S   HO   _H16    51     0.97245   107.55266   176.52577
  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  13   5   4   3
  18   2   1   1  16   7   6   8   3   2   1  11   5   4  15   7
   9   5   4   8   3   2   6   2   1   3   2   1   1   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    53    54    62    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    49    50    51    53    54    62    63    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    53    54    62    52    40    41    42    43  
   39    44    45    46    47    53    40  
   44    45    46    47    53    40  
   41    42    43    44    49    53    54    62  
   42    43    53  
   43    53  
   53  
   45    46    47    48    49    50    51    53    52    55    58  
   46    47    48    49    52  
   47    48    49    52  
   48    49    50    51    53    54    62    52    55    56    57    58    59    60    61  
   49    50    51    53    52    55    58  
   50    51    53    54    62    63    52    55    58  
   51    53    54    62    52  
   53    54    62    52  
   55    56    57    58    59    60    61    53  
   54    62    63  
   62    63  
   56    57    58    59    60    61  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63  
    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   0.167500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    62   320.000  1.410
   62    63   553.000  0.945
   52    55   549.000  1.340
   52    58   317.000  1.510
   55    56   340.000  1.080
   55    57   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    53    49    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    62    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    52    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    55    70.00000  124.00000
   47    52    58    65.00000  117.92700
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    62    50.00000  109.50000
   51    49    50    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    63    55.00000  108.50000
   62    53    54    35.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    49    70.00000  112.02700
   52    55    56    35.00000  120.00000
   52    55    57    35.00000  120.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   57    55    56    35.00000  117.00000
   58    52    55    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    62   0.56750  1.0 1.0
   29    33    53    62  -0.07550 -1.0 2.0
   29    33    53    62   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47   0.56750  1.0 1.0
   33    37    44    47  -0.07550 -1.0 2.0
   33    37    44    47   0.20000  1.0 3.0
   33    53    62    63  -0.11600  1.0 1.0
   33    53    62    63  -0.09450 -1.0 2.0
   33    53    62    63   0.21250  1.0 3.0
   37    33    53    49   0.56750  1.0 1.0
   37    33    53    49  -0.07550 -1.0 2.0
   37    33    53    49   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    62   0.86500  1.0 1.0
   37    33    53    62  -0.17500 -1.0 2.0
   37    33    53    62   0.20800  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    47    48   0.15000  1.0 3.0
   37    44   -47    49   0.56750  1.0 1.0
   37    44   -47    49  -0.07550 -1.0 2.0
   37    44   -47    49   0.20000  1.0 3.0
   37    44    47    52   0.34400  1.0 1.0
   37    44    47    52   0.09450 -1.0 2.0
   37    44    47    52   0.11100  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47   0.15000  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    47   0.15000  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    53   0.56750  1.0 1.0
   44    47    49    53  -0.07550 -1.0 2.0
   44    47    49    53   0.20000  1.0 3.0
   44    47    52    55   0.09850  1.0 1.0
   44    47    52    55   0.15250 -1.0 2.0
   44    47    52    55  -0.50650  1.0 3.0
   44    47    52    58   0.46850  1.0 1.0
   44    47    52    58   0.08550 -1.0 2.0
   44    47    52    58   0.09800  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    52   0.15000  1.0 3.0
   47    49   -53    33   0.56750  1.0 1.0
   47    49   -53    33  -0.07550 -1.0 2.0
   47    49   -53    33   0.20000  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    62   0.86500  1.0 1.0
   47    49    53    62  -0.17500 -1.0 2.0
   47    49    53    62   0.20800  1.0 3.0
   47    52    55    56   7.00000 -1.0 2.0
   47    52    55    57   7.00000 -1.0 2.0
   47    52    58    59   0.34800  1.0 3.0
   47    52    58    60   0.34800  1.0 3.0
   47    52    58    61   0.34800  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    55   0.00000  1.0 1.0
   48    47    52    58   0.34800  1.0 3.0
   49    47    52    55   0.09850  1.0 1.0
   49    47    52    55   0.15250 -1.0 2.0
   49    47    52    55  -0.50650  1.0 3.0
   49    47    52    58   0.46850  1.0 1.0
   49    47    52    58   0.08550 -1.0 2.0
   49    47    52    58   0.09800  1.0 3.0
   49    53    62    63  -0.11600  1.0 1.0
   49    53    62    63  -0.09450 -1.0 2.0
   49    53    62    63   0.21250  1.0 3.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    62   0.23400  1.0 3.0
   51    49    53    33   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    62   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    44   0.56750  1.0 1.0
   53    33   -37    44  -0.07550 -1.0 2.0
   53    33   -37    44   0.20000  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    43   0.15000  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    53   0.34400  1.0 1.0
   52    47    49    53   0.09450 -1.0 2.0
   52    47    49    53   0.11100  1.0 3.0
   55    52    58    59   0.00000  1.0 1.0
   55    52    58    60   0.00000  1.0 1.0
   55    52    58    61   0.00000  1.0 1.0
   58    52    55    56   7.00000 -1.0 2.0
   58    52    55    57   7.00000 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    53    49   0.56750  1.0 1.0
   40    33    53    49  -0.07550 -1.0 2.0
   40    33    53    49   0.20000  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    62   0.86500  1.0 1.0
   40    33    53    62  -0.17500 -1.0 2.0
   40    33    53    62   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   47    58    52    55  15.00000 -1.0 2.0
   56    57    55    52  15.00000 -1.0 2.0
END
