* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    121    187     351
    1     0 S   NP   _N1_     1    33.13140    98.59758   -19.29503
    2     1 S   H    _HN1     2     1.03268   109.36862   -99.86921
    3     1 S   H    _H1_     3     1.02932   104.12762   146.64601
    4     1 S   H    _H2_     4     1.03777   122.03022    28.49119
    5     1 S   CT   _CA1     5     1.49229     9.47930    12.96660
    6     5 S   HC   _HA1     6     1.09706   105.15269   122.25945
    7     5 S   CO3  _C1_     7     1.54687   112.37515     7.32008
    8     7 S   O2Z  _O11     8     1.26195   116.71445  -139.79853
    9     7 S   O2Z  _O12     9     1.26657   114.20756    41.23421
   10     5 S   CT   _CB1    10     1.53527   109.53768  -120.25626
   11    10 S   HC   HB11    11     1.09765   109.76816    64.38628
   12    10 S   HC   HB12    12     1.09812   107.91568   179.47029
   13    10 S   CT   _CG1    13     1.53127   114.97578   -61.50552
   14    13 S   HC   HG11    14     1.09815   108.82328  -140.60892
   15    13 S   HC   HG12    15     1.09261   112.06019   -24.12223
   16    13 S   C    _CD1    16     1.51563   112.40792   102.95199
   17    16 S   O    _OE1    17     1.23051   121.13739    70.68045
   18    16 S   N    _N2_    18     1.38255   114.25095  -109.68268
   19    18 S   H    _HN2    19     1.02250   119.72465     2.82119
   20    18 S   CT1  _CA2    20     1.45907   121.95362  -176.58556
   21    20 S   HC   _HA2    21     1.09725   108.12293    35.61120
   22    20 S   C    _C2_    22     1.52864   108.32696   -80.80252
   23    22 S   O    _O2_    23     1.23125   120.98385   137.41942
   24    20 S   CT   _CB2    32     1.53134   113.16463   158.37066
   25    24 S   HC   HB21    33     1.09147   110.25763    66.17734
   26    24 S   HC   HB22    34     1.09601   109.69145  -177.13201
   27    22 S   N    _N3_    24     1.38451   114.37155   -48.94156
   28    27 S   H    _HN3    25     1.02027   119.75805     0.31714
   29    24 S   S    _SG2    35     1.82694   112.57873   -57.32411
   30    27 S   CT   _CA3    26     1.45334   122.71215   179.23001
   31    30 S   HC   HA31    27     1.09552   108.52425    38.85738
   32    30 S   HC   HA32    28     1.09472   107.28055   155.84716
   33    29 S   CT   _C11    36     1.82853    99.48647   145.06875
   34    33 S   HC   _H5_    37     1.09619   108.18807    42.32431
   35    30 S   CO3  _C3_    29     1.53051   113.94828   -83.90069
   36    35 S   O2Z  _O31    30     1.26418   115.94566   -29.49103
   37    35 S   O2Z  _O32    31     1.26467   114.64854   151.32724
   38    33 S   CT   _C10    38     1.52670   113.49554   -81.22819
   39    38 S   HC   _H4_    39     1.10081   108.47505   -43.93895
   40    38 S   CO   _C9_    40     1.53450   101.96029  -157.99626
   41    40 S   HC   _H3_    41     1.09570   110.41002   142.74301
   42    38 S   OS   _O35    64     1.41759   111.10555    80.16153
   43    40 S   N*   _N6_    42     1.45186   116.24442   -94.67659
   44    40 S   OS   _O33    56     1.44165   106.91574    26.27318
   45    42 S   PR   _P1_    65     1.61930   119.12079  -151.94489
   46    45 S   OM   _O37    66     1.63913    98.76310    61.30885
   47    45 S   OM   _O36    67     1.64087    97.40327   158.85876
   48    43 S   CRAB _C8_    43     1.36964   127.29822    76.83779
   49    48 S   HA   _H8_    44     1.08082   122.81146     0.31466
   50    33 S   CT   _C12    57     1.52604   112.18245   164.94623
   51    50 S   HC   _H6_    58     1.09798   111.97009    43.83728
   52    48 S   NNA  _N7_    45     1.31629   112.21125  -179.72948
   53    50 S   CT   _C13    59     1.52378   113.91127   -81.96683
   54    53 S   HC   _H9_    60     1.09377   111.44010    54.31868
   55    53 S   HC   _H10    61     1.09453   111.14360   -68.06089
   56    52 S   C56B _C6_    46     1.37467   104.97618    -0.16669
   57    53 S   OH   _O34    62     1.42446   109.06391   173.31294
   58    57 S   HO   _H11    63     0.97236   107.06308   178.90461
   59    43 S   C56A _C7_    47     1.37068   125.68122  -103.47859
   60    59 S   NB   _N5_    48     1.34235   127.92680    -0.12354
   61    60 S   CQ   _C4_    49     1.34659   110.75821   179.29224
   62    61 S   HA   _H7_    50     1.08483   115.76443  -179.64612
   63    61 S   NB   _N4_    51     1.35349   128.66493     0.40878
   64    56 S   CA   _C5_    52     1.40371   131.67905   179.88131
   65    64 S   NND  _N8_    53     1.38140   122.20907    -0.11869
   66    65 S   H    _H12    54     1.01078   120.34100    -0.45800
   67    65 S   H    _H13    55     1.01006   119.34221  -179.61539
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  14   7  14   6   6  10   8   2   1   1   6
   3   6   4   6   4   3   2   8   1   1   6   4   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    50    51    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    50    51    53    54    55    57    42    45  
   38    39    40    44    50    51    53    42  
   36    37  
   37  
    0  
   39    40    41    43    48    59    44    50    51    53    42    45    46    47  
   40    41    43    44    50    42    45  
   41    43    48    49    52    56    59    60    44    50    51    53    42    45  
   43    48    59    44    50    42  
   45    46    47    43    44    50  
   48    49    52    56    59    60    61    64    44    50  
   50    51    53    54    55    57    48    59  
   46    47  
   47  
    0  
   49    52    56    59    60    64  
   52    56    59  
   51    53    54    55    57    58  
   53    54    55    57  
   56    59    60    63    64    65  
   54    55    57    58  
   55    57    58  
   57    58  
   59    60    61    63    64    65    66    67  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63    64  
   62    63    64    65  
   63    64  
   64    65    66    67  
   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   43   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   48   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   64   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.370000   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    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   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   275.000  1.479
   40    44   320.000  1.380
   43    48   440.000  1.371
   43    59   436.000  1.374
   48    49   367.000  1.080
   48    52   529.000  1.304
   52    56   414.000  1.391
   56    59   447.000  1.419
   56    64   469.000  1.404
   59    60   461.000  1.354
   60    61   502.000  1.324
   61    62   367.000  1.080
   61    63   502.000  1.324
   63    64   483.000  1.339
   64    65   481.000  1.340
   65    66   434.000  1.010
   65    67   434.000  1.010
   44    50   320.000  1.410
   50    51   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   320.000  1.410
   57    58   553.000  0.945
   42    45   325.000  1.672
   45    46   325.000  1.672
   45    47   325.000  1.672
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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    50    44    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    53    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    43    75.00000  107.44000
   38    40    44    90.00000  108.56700
   38    42    45   100.00000  120.50000
   40    38    39    45.00000  108.72000
   40    43    48    70.00000  128.80000
   40    43    59    70.00000  125.80000
   40    44    50    60.00000  109.50000
   43    40    41    55.00000  103.44000
   43    48    49    35.00000  123.05000
   43    48    52    70.00000  113.90000
   43    59    56    70.00000  106.20000
   43    59    60    70.00000  126.20000
   48    52    56    70.00000  103.80000
   52    48    49    35.00000  123.05000
   52    56    59    70.00000  110.40000
   52    56    64    70.00000  132.40000
   56    59    60    70.00000  127.70000
   56    64    63    70.00000  117.30000
   56    64    65    70.00000  123.50000
   59    43    48    70.00000  105.40000
   59    60    61    70.00000  111.00000
   60    61    62    35.00000  115.45000
   60    61    63    70.00000  129.10000
   61    63    64    70.00000  118.60000
   63    61    62    35.00000  115.45000
   63    64    65    70.00000  119.30000
   64    56    59    85.00000  116.20000
   64    65    66    35.00000  120.00000
   64    65    67    35.00000  120.00000
   67    65    66    35.00000  120.00000
   44    40    41    35.00000  109.50000
   44    40    43   105.00000  106.22000
   44    50    51    35.00000  109.50000
   44    50    53    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    50.00000  109.50000
   53    50    51    37.50000  110.70000
   53    57    58    55.00000  108.50000
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.38000
   42    45    46    45.00000  102.60000
   42    45    47    45.00000  102.60000
   47    45    46    35.00000   94.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43  -0.64600  1.0 1.0
   33    38    40    43   0.58400 -1.0 2.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    42    45  -2.65550  1.0 1.0
   33    38    42    45  -0.22350 -1.0 2.0
   33    38    42    45   0.24150  1.0 3.0
   33    50    53    54   0.15000  1.0 3.0
   33    50    53    55   0.15000  1.0 3.0
   33    50    53    57   0.86500  1.0 1.0
   33    50    53    57  -0.17500 -1.0 2.0
   33    50    53    57   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    44   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    53   0.15000  1.0 3.0
   38    33   -50    44   0.62750  1.0 1.0
   38    33   -50    44  -0.30950 -1.0 2.0
   38    33   -50    44   0.27300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    53   0.56750  1.0 1.0
   38    33    50    53  -0.07550 -1.0 2.0
   38    33    50    53   0.20000  1.0 3.0
   38    40    43    48   1.10250  1.0 1.0
   38    40    43    48   0.01650 -1.0 2.0
   38    40    43    48   0.39100  1.0 3.0
   38    40    43    59   1.10250  1.0 1.0
   38    40    43    59   0.01650 -1.0 2.0
   38    40    43    59   0.39100  1.0 3.0
   38    40   -44    50   0.06250  1.0 1.0
   38    40   -44    50  -0.01100 -1.0 2.0
   38    40   -44    50   0.28050  1.0 3.0
   38    42    45    46   0.05050  1.0 1.0
   38    42    45    46  -1.30700 -1.0 2.0
   38    42    45    46   0.91550  1.0 3.0
   38    42    45    47   0.05050  1.0 1.0
   38    42    45    47  -1.30700 -1.0 2.0
   38    42    45    47   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    42    45   0.03000  1.0 3.0
   40    38    42    45  -2.65550  1.0 1.0
   40    38    42    45  -0.22350 -1.0 2.0
   40    38    42    45   0.24150  1.0 3.0
   40    43    48    49   3.62500 -1.0 2.0
   40    43    48    52   3.62500 -1.0 2.0
   40    43    59    56   0.81400  1.0 1.0
   40    43    59    56   1.55550 -1.0 2.0
   40    43    59    60   3.62500 -1.0 2.0
   40    44   -50    33   0.06250  1.0 1.0
   40    44   -50    33  -0.01100 -1.0 2.0
   40    44   -50    33   0.28050  1.0 3.0
   40    44    50    51   0.37050  1.0 3.0
   40    44    50    53   0.06250  1.0 1.0
   40    44    50    53  -0.01100 -1.0 2.0
   40    44    50    53   0.28050  1.0 3.0
   41    40    43    48   0.00000  1.0 1.0
   41    40    43    59   0.00000  1.0 1.0
   41    40    44    50   0.37050  1.0 3.0
   43    40    44    50  -2.37750  1.0 1.0
   43    40    44    50  -0.08150 -1.0 2.0
   43    40    44    50   0.59000  1.0 3.0
   43    48   -52    56   3.62500 -1.0 2.0
   43    59    60    61   3.62500 -1.0 2.0
   48    43   -59    56   0.70250  1.0 1.0
   48    43   -59    56   1.56150 -1.0 2.0
   48    43    59    60   3.62500 -1.0 2.0
   48    52   -56    59   3.62500 -1.0 2.0
   48    52    56    64   3.62500 -1.0 2.0
   49    48    52    56   3.62500 -1.0 2.0
   52    56   -59    43   3.62500 -1.0 2.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    64    63   3.62500 -1.0 2.0
   52    56    64    65   3.62500 -1.0 2.0
   56    59    60    61   3.62500 -1.0 2.0
   56    64    65    66   0.70000 -1.0 2.0
   56    64    65    67   0.70000 -1.0 2.0
   59    43    48    49   3.62500 -1.0 2.0
   59    43   -48    52   3.62500 -1.0 2.0
   59    56    64    63   3.62500 -1.0 2.0
   59    56    64    65   3.62500 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60   -61    63   3.62500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   61    63   -64    56   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    64    65    66   0.70000 -1.0 2.0
   63    64    65    67   0.70000 -1.0 2.0
   64    56    59    43   3.00000 -1.0 2.0
   64    56   -59    60   3.62500 -1.0 2.0
   44    40    43    48   0.10350  1.0 1.0
   44    40    43    48  -0.15350 -1.0 2.0
   44    40    43    59   0.10350  1.0 1.0
   44    40    43    59  -0.15350 -1.0 2.0
   44    50    53    54   0.23400  1.0 3.0
   44    50    53    55   0.23400  1.0 3.0
   44    50    53    57   3.69350  1.0 1.0
   44    50    53    57  -1.82950 -1.0 2.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   3.97050  1.0 1.0
   50    33    38    42   0.62750  1.0 1.0
   50    33    38    42  -0.30950 -1.0 2.0
   50    33    38    42   0.27300  1.0 3.0
   50    53    57    58  -0.11600  1.0 1.0
   50    53    57    58  -0.09450 -1.0 2.0
   50    53    57    58   0.21250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.23400  1.0 3.0
   54    53    57    58   0.19450  1.0 3.0
   55    53    57    58   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43  -0.86350  1.0 1.0
   42    38    40    43   0.04750 -1.0 2.0
   42    38    40    44   1.11900  1.0 1.0
   42    38    40    44  -1.16350 -1.0 2.0
   42    38    40    44  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   48    59    43    40   4.00000 -1.0 2.0
   52    49    48    43   1.10000 -1.0 2.0
   59    64    56    52   4.00000 -1.0 2.0
   56    60    59    43   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   63    65    64    56   4.00000 -1.0 2.0
   67    64    65    66   1.00000 -1.0 2.0
END
