* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    118    194     351
    1     0 S   NP   _N1_     1    28.74908    95.59615   -23.37073
    2     1 S   H    _HN1     2     1.02950    77.41207    14.94819
    3     1 S   H    _H1_     3     1.02829    33.66486   166.35818
    4     1 S   H    _H2_     4     1.02784   103.28953   -91.24249
    5     1 S   CT   _CA1     5     1.50108   137.91291   121.55125
    6     5 S   HC   _HA1     6     1.09572   105.20898    83.92315
    7     5 S   CO3  _C1_     7     1.53795   112.44970   -36.32586
    8     7 S   O2Z  _O11     8     1.26371   115.00880   -42.85270
    9     7 S   O2Z  _O12     9     1.26241   114.94849   136.30899
   10     5 S   CT   _CB1    10     1.53084   107.42550  -158.09239
   11    10 S   HC   HB11    11     1.09830   109.39230   -49.85098
   12    10 S   HC   HB12    12     1.09813   110.43660    66.76169
   13    10 S   CT   _CG1    13     1.52981   112.59184  -170.84341
   14    13 S   HC   HG11    14     1.09586   110.59343   -64.91932
   15    13 S   HC   HG12    15     1.09668   109.82380    54.30466
   16    13 S   C    _CD1    16     1.51795   112.28424   174.75690
   17    16 S   O    _OE1    17     1.22723   123.31341     4.92577
   18    16 S   N    _N2_    18     1.38645   111.62205  -175.15168
   19    18 S   H    _HN2    19     1.01581   118.93277     1.93401
   20    18 S   CT1  _CA2    20     1.46204   123.42039   178.00453
   21    20 S   HC   _HA2    21     1.09735   109.40621     1.52097
   22    20 S   C    _C2_    22     1.53545   108.57298  -113.97684
   23    22 S   O    _O2_    23     1.23055   122.29081  -147.89397
   24    20 S   CT   _CB2    32     1.53458   111.50135   123.58412
   25    24 S   HC   HB21    33     1.09448   109.49600    56.09292
   26    24 S   HC   HB22    34     1.09430   109.71548   174.96986
   27    22 S   N    _N3_    24     1.38336   113.68577    39.56291
   28    27 S   H    _HN3    25     1.01592   119.57489    -3.35725
   29    24 S   S    _SG2    35     1.83305   111.07799   -65.31346
   30    27 S   CT   _CA3    26     1.45287   123.19168   177.10159
   31    30 S   HC   HA31    27     1.09550   107.51037   -64.48115
   32    30 S   HC   HA32    28     1.09557   107.97957    51.95008
   33    29 S   CT   _C13    36     1.87896   102.05389   174.36911
   34    30 S   CO3  _C3_    29     1.52956   114.09541   173.94511
   35    34 S   O2Z  _O31    30     1.26374   116.06661    -0.74520
   36    34 S   O2Z  _O32    31     1.26429   114.41156   179.31729
   37    33 S   CM   _C14    37     1.51333   108.39838    56.05279
   38    37 S   HC   _H9_    38     1.08830   117.77274    61.53686
   39    33 S   CT   _C12    47     1.56942   107.81908   175.87507
   40    39 S   HC   _H4_    48     1.09948   108.51078    62.58393
   41    37 S   CM   _C15    39     1.33890   124.09872  -119.21609
   42    41 S   HC   _H10    40     1.08368   121.56994  -179.48871
   43    39 S   CT   _C10    49     1.54383   115.77536  -174.63173
   44    43 S   HC   _H3_    50     1.09673   112.00975    72.31136
   45    39 S   OH   _O37    65     1.43864   109.40910   -53.57366
   46    45 S   HO   _H13    66     0.97371   107.81845   172.46287
   47    41 S   CO4  _C16    41     1.48010   120.71687     0.94419
   48    47 S   O    _O36    42     1.22611   121.05164  -179.73681
   49    43 S   CO4  _C11    51     1.51659   111.01903  -167.07669
   50    49 S   O    _O35    52     1.21603   127.62337   -55.53904
   51    43 S   OS   _O34    62     1.44752   112.45875   -50.01288
   52    47 S   CM   _C17    43     1.47987   117.90992     0.45111
   53    52 S   HC   _H11    44     1.08358   117.78113   179.50822
   54    49 S   CA   _C6_    53     1.43657   107.41829   124.06574
   55    33 S   CM   _C18    45     1.51535   106.44485   -65.17982
   56    55 S   HC   _H12    46     1.08844   117.76436   -60.83252
   57    54 S   CA   _C5_    54     1.38037   131.13537   178.98876
   58    57 S   HA   _H6_    55     1.08382   121.81773    -0.44980
   59    57 S   CA   _C4_    56     1.39562   117.01555   179.50386
   60    59 S   HA   _H5_    57     1.08662   119.37071   179.97202
   61    59 S   CA   _C9_    58     1.40655   120.04193    -0.11869
   62    61 S   CA   _C8_    59     1.39718   121.58126     0.01978
   63    62 S   HA   _H7_    60     1.08443   121.22746  -179.88297
   64    61 S   OH   _O33    63     1.36801   120.60032  -179.92338
   65    64 S   HO   _H8_    64     0.97245   108.64162    -0.15323
   66    54 S   CA   _C7_    61     1.37796   105.57582    -1.54497
  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  11   5   4   3
  17   2   1   1  12   5  14   7   6   3  11   6   4   1   5   3
   8   4   6   3   2   8   1   1   7   4   7   3   5   4   2   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    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    55    56    39    40    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    52    53    55    56    39    40    43    44    49    51    45    46  
   35    36  
   36  
    0  
   38    41    42    47    48    52    55    56    39    40    43    45  
   41    42    47    55    39  
   40    43    44    49    50    54    66    51    45    46    41    52    55    56  
   43    44    49    51    45    46    55  
   42    47    48    52    53    55  
   47    48    52  
   44    49    50    54    57    62    66    51    45    46    55  
   49    50    54    66    51    45  
   46    49    51    55  
    0  
   48    52    53    55    56  
   52    53    55  
   50    54    57    58    59    62    66    51  
   54    57    66    51  
   54    57    61    62    63    66  
   53    55    56  
   55    56  
   57    58    59    60    61    62    63    66  
   56  
    0  
   58    59    60    61    62    66    64  
   59    60    61    66  
   60    61    62    63    66    64    65  
   61    62    64  
   62    63    66    64    65  
   63    66    64    65  
   66    64  
   65    66  
    0  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   340.000  1.080
   41    47   320.000  1.462
   47    48   570.000  1.229
   47    52   320.000  1.462
   52    53   340.000  1.080
   52    55   549.000  1.340
   55    56   340.000  1.080
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    45   320.000  1.410
   43    44   340.000  1.090
   43    49   317.000  1.522
   43    51   320.000  1.410
   49    50   570.000  1.229
   49    54   310.000  1.470
   54    57   469.000  1.400
   54    66   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    51   450.000  1.364
   64    65   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    55    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    55    52    70.00000  124.00000
   33    55    56    35.00000  117.00000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    45    50.00000  109.50000
   37    41    42    35.00000  120.00000
   37    41    47    65.00000  118.96000
   41    37    38    35.00000  120.00000
   41    47    48    80.00000  123.72100
   41    47    52    65.00000  118.65900
   47    41    42    40.00000  117.72500
   47    52    53    40.00000  117.72500
   47    52    55    65.00000  118.96000
   52    47    48    80.00000  123.72100
   52    55    56    35.00000  120.00000
   55    33    37    70.00000  110.12100
   55    52    53    35.00000  120.00000
   39    33    37    70.00000  112.02700
   39    33    55    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    49    63.00000  111.10000
   39    43    51    50.00000  109.50000
   39    45    46    55.00000  108.50000
   43    39    40    37.50000  110.70000
   43    49    50    80.00000  120.40000
   43    49    54    65.00000  115.47100
   43    51    66    75.00000  111.00000
   49    43    44    35.00000  109.50000
   49    54    57    60.00000  119.52600
   49    54    66    60.00000  119.52600
   54    49    50    75.00000  123.78400
   54    57    58    35.00000  120.00000
   54    57    59    63.00000  120.00000
   54    66    62    63.00000  120.00000
   54    66    51    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   59    61    64    70.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    51    70.00000  120.00000
   66    54    57    63.00000  120.00000
   66    62    63    35.00000  120.00000
   51    43    44    35.00000  109.50000
   51    43    49    90.00000  108.74100
   64    61    62    70.00000  120.00000
   45    39    40    35.00000  109.50000
   45    39    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    55    52   0.42700  1.0 1.0
   29    33    55    52  -0.70350 -1.0 2.0
   29    33    55    52  -0.43150  1.0 3.0
   29    33    55    56   0.00000  1.0 1.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    49  -0.95700  1.0 1.0
   33    39    43    49  -0.18200 -1.0 2.0
   33    39    43    49   0.29450  1.0 3.0
   33    39    43    51   0.62750  1.0 1.0
   33    39    43    51  -0.30950 -1.0 2.0
   33    39    43    51   0.27300  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   37    33    55    52  -0.28300  1.0 1.0
   37    33    55    52   0.26700 -1.0 2.0
   37    33    55    52  -0.63300  1.0 3.0
   37    33    55    56   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    45   1.05650  1.0 1.0
   37    33    39    45   0.15600 -1.0 2.0
   37    33    39    45   0.53150  1.0 3.0
   37    41    47    48   1.00000 -1.0 2.0
   37    41   -47    52  -1.18350  1.0 1.0
   37    41   -47    52   1.45950 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    47    52    53   0.93700 -1.0 2.0
   41    47    52    55  -1.18350  1.0 1.0
   41    47    52    55   1.45950 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    52   0.93700 -1.0 2.0
   47    52   -55    33   7.00000 -1.0 2.0
   47    52    55    56   7.00000 -1.0 2.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    55   1.00000 -1.0 2.0
   53    52    55    33   7.00000 -1.0 2.0
   53    52    55    56   7.00000 -1.0 2.0
   55    33    37    38   0.00000  1.0 1.0
   55    33   -37    41  -0.28300  1.0 1.0
   55    33   -37    41   0.26700 -1.0 2.0
   55    33   -37    41  -0.63300  1.0 3.0
   55    33    39    40   0.15000  1.0 3.0
   55    33    39    43   0.34400  1.0 1.0
   55    33    39    43   0.09450 -1.0 2.0
   55    33    39    43   0.11100  1.0 3.0
   55    33    39    45   1.05650  1.0 1.0
   55    33    39    45   0.15600 -1.0 2.0
   55    33    39    45   0.53150  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    55    52   0.09850  1.0 1.0
   39    33    55    52   0.15250 -1.0 2.0
   39    33    55    52  -0.50650  1.0 3.0
   39    33    55    56   0.00000  1.0 1.0
   39    43    49    50   0.30150 -1.0 2.0
   39    43    49    54   0.05850 -1.0 2.0
   39    43    49    54   0.17250  1.0 3.0
   39    43    51    66  -0.32850  1.0 1.0
   39    43    51    66  -0.35800 -1.0 2.0
   39    43    51    66   0.33950  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    49  -0.11250  1.0 3.0
   40    39    43    51   0.23400  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   43    39    45    46  -0.11600  1.0 1.0
   43    39    45    46  -0.09450 -1.0 2.0
   43    39    45    46   0.21250  1.0 3.0
   43    49    54    57   2.26350  1.0 1.0
   43    49    54    57   0.76750 -1.0 2.0
   43    49    54    57   0.22500  1.0 3.0
   43    49   -54    66   2.26350  1.0 1.0
   43    49   -54    66   0.76750 -1.0 2.0
   43    49   -54    66   0.22500  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    54   0.00000  1.0 1.0
   44    43    51    66   0.08050  1.0 3.0
   49    43   -51    66  -0.25600  1.0 1.0
   49    43   -51    66  -0.40050 -1.0 2.0
   49    43   -51    66   0.34700  1.0 3.0
   49    54    57    58   3.62500 -1.0 2.0
   49    54    57    59   3.62500 -1.0 2.0
   49    54    66    62   3.62500 -1.0 2.0
   49    54   -66    51   3.62500 -1.0 2.0
   50    49    54    57   1.05000 -1.0 2.0
   50    49    54    66   1.05000 -1.0 2.0
   54    57    59    60   3.62500 -1.0 2.0
   54    57    59    61   3.62500 -1.0 2.0
   54    66   -51    43   1.63200 -1.0 2.0
   57    54    66    62   3.62500 -1.0 2.0
   57    54    66    51   3.62500 -1.0 2.0
   57    59   -61    62   3.62500 -1.0 2.0
   57    59    61    64   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    66   3.62500 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   61    62   -66    54   3.62500 -1.0 2.0
   61    62    66    51   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66    51    43   1.63200 -1.0 2.0
   63    62    66    54   3.62500 -1.0 2.0
   63    62    66    51   3.62500 -1.0 2.0
   66    54    57    58   3.62500 -1.0 2.0
   66    54   -57    59   3.62500 -1.0 2.0
   51    43    49    50   0.30150 -1.0 2.0
   51    43   -49    54   0.65300  1.0 1.0
   51    43   -49    54  -0.03850 -1.0 2.0
   51    43   -49    54   0.33900  1.0 3.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   45    39    43    44   0.23400  1.0 3.0
   45    39    43    49  -0.09450  1.0 1.0
   45    39    43    49  -1.12950 -1.0 2.0
   45    39    43    49   0.54000  1.0 3.0
   45    39    43    51   3.69350  1.0 1.0
   45    39    43    51  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   41    52    47    48  10.50000 -1.0 2.0
   47    53    52    55   1.10000 -1.0 2.0
   33    56    55    52   1.10000 -1.0 2.0
   43    54    49    50  10.50000 -1.0 2.0
   57    66    54    49   4.00000 -1.0 2.0
   59    58    57    54   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    64    61    59   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    51    66    54   4.00000 -1.0 2.0
END
