* LIGAND DATABASE FILE (OPLS2005)
*
001      67    67    121    174     347
    1     0 S   NP   _N1_     1    29.24345    93.67387   -23.95925
    2     1 S   H    _HN1     2     1.02776   107.83748   -90.45239
    3     1 S   H    _H1_     3     1.02962    87.61733    18.04275
    4     1 S   H    _H2_     4     1.02833    21.00010   175.91635
    5     1 S   CT   _CA1     5     1.50127   126.88397   131.88591
    6     5 S   HC   _HA1     6     1.09577   105.22407    74.63019
    7     5 S   CO3  _C1_     7     1.53777   112.40235   -45.52497
    8     7 S   O2Z  _O11     8     1.26354   115.00308   -43.21721
    9     7 S   O2Z  _O12     9     1.26242   114.91551   135.93017
   10     5 S   CT   _CB1    10     1.53084   107.40114  -167.50721
   11    10 S   HC   HB11    11     1.09825   109.25433   -51.17442
   12    10 S   HC   HB12    12     1.09824   110.42992    65.33188
   13    10 S   CT   _CG1    13     1.53016   112.73908  -172.33333
   14    13 S   HC   HG11    14     1.09595   110.40102   -64.32065
   15    13 S   HC   HG12    15     1.09646   110.04603    54.93981
   16    13 S   C    _CD1    16     1.51782   112.25216   175.17745
   17    16 S   O    _OE1    17     1.22714   123.23466    -4.53263
   18    16 S   N    _N2_    18     1.38615   111.74708   175.98624
   19    18 S   H    _HN2    19     1.01583   118.96416     2.45288
   20    18 S   CT1  _CA2    20     1.46025   123.42874  -179.96044
   21    20 S   HC   _HA2    21     1.09472   109.49078     1.23115
   22    20 S   C    _C2_    22     1.53314   108.36612  -113.32310
   23    22 S   O    _O2_    23     1.22991   122.36981  -138.29488
   24    20 S   CT   _CB2    32     1.53292   111.64441   123.75317
   25    24 S   HC   HB21    33     1.09686   109.43815    60.89760
   26    24 S   HC   HB22    34     1.09457   110.94153   177.43646
   27    22 S   N    _N3_    24     1.38548   113.17303    48.92995
   28    27 S   H    _HN3    25     1.01493   119.06728    -0.41117
   29    24 S   S    _SG2    35     1.83359   115.32423   -58.56905
   30    27 S   CT   _CA3    26     1.45409   123.24735   173.67665
   31    30 S   HC   HA31    27     1.09530   109.05716    28.47235
   32    30 S   HC   HA32    28     1.09483   107.19204   145.57580
   33    29 S   CT   _C11    36     1.84106   101.56159   -57.77660
   34    33 S   HC   _H3_    37     1.09182   107.73368    55.91407
   35    30 S   CO3  _C3_    29     1.53003   113.18322   -94.75991
   36    35 S   O2Z  _O31    30     1.26398   115.54181   -40.32727
   37    35 S   O2Z  _O32    31     1.26370   114.88582   140.55059
   38    33 S   CO4  _C7_    38     1.51510   106.46315   169.38958
   39    38 S   O    _O15    39     1.23251   120.49663   -88.65238
   40    38 S   CM   _C5_    40     1.50053   119.32299    88.92474
   41    40 S   CM   _C4_    41     1.34649   120.57953    10.33544
   42    40 S   CT   _C13    64     1.50464   114.06666  -167.91103
   43    42 S   HC   _H23    65     1.09486   110.12637   -74.14539
   44    42 S   HC   _H24    66     1.09198   113.52760   164.45477
   45    42 S   HC   _H25    67     1.09592   110.53523    45.58202
   46    41 S   CO4  _C6_    42     1.49889   120.53965     2.47939
   47    46 S   O    _O14    43     1.23182   120.35201  -171.10483
   48    41 S   CT   _C12    60     1.50452   125.33893  -179.20181
   49    48 S   HC   _H20    61     1.09484   110.13913   106.98646
   50    48 S   HC   _H21    62     1.09201   113.50262   -14.45379
   51    48 S   HC   _H22    63     1.09593   110.53811  -133.28677
   52    33 S   CT   _C10    44     1.52737   113.70068   -67.12670
   53    52 S   HC   _H18    45     1.09695   109.63752    44.25035
   54    52 S   CT   _C16    46     1.54351   112.97692   164.14457
   55    54 S   HC   _H32    47     1.09422   110.76219    55.44575
   56    54 S   HC   _H33    48     1.09846   109.41054   170.57913
   57    54 S   CM   _C8_    49     1.50472   112.03217   -70.71609
   58    57 S   HC   _H17    50     1.09004   113.93266   -70.08964
   59    57 S   CM   _C9_    51     1.34648   128.20096   109.95723
   60    59 S   CT   _C14    52     1.50629   120.30325  -179.75371
   61    60 S   HC   _H26    53     1.09501   110.24798   118.83868
   62    60 S   HC   _H27    54     1.09488   110.23412  -121.30467
   63    60 S   HC   _H28    55     1.09510   112.41558    -1.20934
   64    59 S   CT   _C15    56     1.50240   125.32666    -0.89351
   65    64 S   HC   _H29    57     1.09491   110.04795   117.14508
   66    64 S   HC   _H30    58     1.09520   110.07680  -123.57614
   67    64 S   HC   _H31    59     1.09171   113.61671    -3.65993
  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   9   5   4   3
  14   7   2   1   1  12   4  12  13   5   2   1   1  11   4   4
   2   1   1   7   4   7   4   3  10   3   8   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    52    53    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    52    53    54    55    56    57    42  
   38    39    40    46    52    53    54  
   36    37  
   37  
    0  
   39    40    41    46    52    53    54    48    42    43    44    45  
   40    41    52    42  
   41    46    47    52    48    49    50    51    42    43    44    45  
   46    47    52    53    54    48    49    50    51    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    52    53    54    55    56    57    48    49    50    51  
   52    53    54    48  
   49    50    51    52  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59  
   54    55    56    57  
   55    56    57    58    59    60    64  
   56    57    58    59  
   57    58    59  
   58    59    60    61    62    63    64    65    66    67  
   59    60    64  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    52   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    46   320.000  1.462
   41    48   317.000  1.510
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   317.000  1.510
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   317.000  1.510
   59    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    52    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    52    46    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    54    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    42    65.00000  116.34900
   40    38    39    80.00000  123.72100
   40    41    46    65.00000  118.96000
   40    41    48    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   41    46    47    80.00000  123.72100
   41    46    52    65.00000  118.62400
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    51    35.00000  109.50000
   46    52    53    35.00000  109.50000
   46    52    54    63.00000  111.10000
   52    33    34    37.50000  110.70000
   52    33    38    63.00000  111.10000
   52    46    47    80.00000  120.40000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    70.00000  112.02700
   54    52    53    37.50000  110.70000
   54    57    58    35.00000  117.00000
   54    57    59    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    70.00000  124.00000
   57    59    64    70.00000  124.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    59    60    65.00000  117.92700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   48    41    46    65.00000  116.34900
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   42    40    41    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    52    46   0.56750  1.0 1.0
   29    33    52    46  -0.07550 -1.0 2.0
   29    33    52    46   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.44750  1.0 1.0
   29    33    52    54  -0.17800 -1.0 2.0
   29    33    52    54   0.20200  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   0.25700  1.0 1.0
   33    38    40    42   0.66200 -1.0 2.0
   33    38    40    42   0.04450  1.0 3.0
   33    52    54    55   0.15000  1.0 3.0
   33    52    54    56   0.15000  1.0 3.0
   33    52    54    57   0.34400  1.0 1.0
   33    52    54    57   0.09450 -1.0 2.0
   33    52    54    57   0.11100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    52    46  -0.11250  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    54   0.15000  1.0 3.0
   38    33    52    46   0.11950  1.0 1.0
   38    33    52    46   0.20300 -1.0 2.0
   38    33    52    46  -0.70800  1.0 3.0
   38    33    52    53  -0.11250  1.0 3.0
   38    33    52    54  -0.95700  1.0 1.0
   38    33    52    54  -0.18200 -1.0 2.0
   38    33    52    54   0.29450  1.0 3.0
   38    40   -41    46   7.00000 -1.0 2.0
   38    40    41    48   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40    42    44   0.15000  1.0 3.0
   38    40    42    45   0.15000  1.0 3.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42  -0.64400  1.0 1.0
   39    38    40    42   0.26850 -1.0 2.0
   40    41    46    47   1.00000 -1.0 2.0
   40    41    46    52  -0.33500  1.0 1.0
   40    41    46    52   1.06600 -1.0 2.0
   40    41    46    52  -0.14000  1.0 3.0
   40    41    48    49   0.00000  1.0 1.0
   40    41    48    50   0.00000  1.0 1.0
   40    41    48    51   0.00000  1.0 1.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46   -52    33   0.65300  1.0 1.0
   41    46   -52    33  -0.03850 -1.0 2.0
   41    46   -52    33   0.33900  1.0 3.0
   41    46    52    53   0.00000  1.0 1.0
   41    46    52    54   0.65300  1.0 1.0
   41    46    52    54  -0.03850 -1.0 2.0
   41    46    52    54   0.33900  1.0 3.0
   46    41    48    49   0.15000  1.0 3.0
   46    41    48    50   0.15000  1.0 3.0
   46    41    48    51   0.15000  1.0 3.0
   46    52    54    55  -0.11250  1.0 3.0
   46    52    54    56  -0.11250  1.0 3.0
   46    52    54    57  -0.98800  1.0 1.0
   46    52    54    57   0.48800 -1.0 2.0
   46    52    54    57   0.76800  1.0 3.0
   47    46    52    33   0.30150 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.30150 -1.0 2.0
   52    33    38    39   0.30150 -1.0 2.0
   52    33   -38    40   0.65300  1.0 1.0
   52    33   -38    40  -0.03850 -1.0 2.0
   52    33   -38    40   0.33900  1.0 3.0
   52    54    57    58   0.00000  1.0 1.0
   52    54    57    59   0.09850  1.0 1.0
   52    54    57    59   0.15250 -1.0 2.0
   52    54    57    59  -0.50650  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    57   0.15000  1.0 3.0
   54    57    59    60   7.00000 -1.0 2.0
   54    57    59    64   7.00000 -1.0 2.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    59   0.00000  1.0 1.0
   56    54    57    58   0.33100  1.0 3.0
   56    54    57    59   0.00000  1.0 1.0
   57    59    60    61   0.00000  1.0 1.0
   57    59    60    62   0.00000  1.0 1.0
   57    59    60    63   0.00000  1.0 1.0
   57    59    64    65   0.00000  1.0 1.0
   57    59    64    66   0.00000  1.0 1.0
   57    59    64    67   0.00000  1.0 1.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    64   7.00000 -1.0 2.0
   60    59    64    65   0.34800  1.0 3.0
   60    59    64    66   0.34800  1.0 3.0
   60    59    64    67   0.34800  1.0 3.0
   64    59    60    61   0.34800  1.0 3.0
   64    59    60    62   0.34800  1.0 3.0
   64    59    60    63   0.34800  1.0 3.0
   48    41    46    47  -0.64400  1.0 1.0
   48    41    46    47   0.26850 -1.0 2.0
   48    41    46    52   0.25700  1.0 1.0
   48    41    46    52   0.66200 -1.0 2.0
   48    41    46    52   0.04450  1.0 3.0
   42    40    41    46   7.00000 -1.0 2.0
   42    40    41    48   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   46    48    41    40   1.10000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   54    58    57    59  15.00000 -1.0 2.0
   60    64    59    57  15.00000 -1.0 2.0
END
