* LIGAND DATABASE FILE (OPLS2005)
*
001      64    63    113    155     325
    1     0 S   NP   _N1_     1    28.96617    93.43197   -22.42069
    2     1 S   H    _HN1     2     1.02965    91.39854    24.99916
    3     1 S   H    _H1_     3     1.02837    22.52468   159.94489
    4     1 S   H    _H2_     4     1.02779    98.69628   -83.77273
    5     1 S   CT   _CA1     5     1.50130   132.67183   144.76750
    6     5 S   HC   _HA1     6     1.09575   105.23159    65.34513
    7     5 S   CO3  _C1_     7     1.53775   112.40161   -54.85895
    8     7 S   O2Z  _O11     8     1.26358   114.99681   -43.51184
    9     7 S   O2Z  _O12     9     1.26238   114.91893   135.66043
   10     5 S   CT   _CB1    10     1.53086   107.41027  -176.75629
   11    10 S   HC   HB11    11     1.09827   109.28417   -50.91391
   12    10 S   HC   HB12    12     1.09825   110.42468    65.60431
   13    10 S   CT   _CG1    13     1.53026   112.73097  -172.03952
   14    13 S   HC   HG11    14     1.09593   110.43814   -64.24199
   15    13 S   HC   HG12    15     1.09649   110.01808    55.02523
   16    13 S   C    _CD1    16     1.51796   112.23870   175.32320
   17    16 S   O    _OE1    17     1.22739   123.22055    -2.34694
   18    16 S   N    _N2_    18     1.38666   111.72257   177.84605
   19    18 S   H    _HN2    19     1.01592   119.11636     0.46140
   20    18 S   CT1  _CA2    20     1.46093   123.19205  -179.91844
   21    20 S   HC   _HA2    21     1.09573   109.14517   -11.73311
   22    20 S   C    _C2_    22     1.53461   108.76082  -126.82297
   23    22 S   O    _O2_    23     1.23028   122.10601  -148.32639
   24    20 S   CT   _CB2    32     1.53435   111.85537   110.66630
   25    24 S   HC   HB21    33     1.09658   109.53858    61.97937
   26    24 S   HC   HB22    34     1.09569   110.93736   179.29141
   27    22 S   N    _N3_    24     1.38473   113.46338    39.27090
   28    27 S   H    _HN3    25     1.01519   118.90409    -0.89744
   29    24 S   S    _SG2    35     1.82818   114.68271   -57.75497
   30    27 S   CT   _CA3    26     1.45452   123.52449   174.63791
   31    30 S   HC   HA31    27     1.09517   109.29937    23.10398
   32    30 S   HC   HA32    28     1.09494   107.10869   140.16521
   33    29 S   CT   _C9_    36     1.83038    99.90303   -69.41941
   34    33 S   HC   _H13    37     1.09579   106.39014   -59.68424
   35    33 S   HC   _H14    38     1.09368   108.92871    56.96432
   36    30 S   CO3  _C3_    29     1.52939   113.07573  -100.38267
   37    36 S   O2Z  _O31    30     1.26407   115.42134   -43.07294
   38    36 S   O2Z  _O32    31     1.26354   114.96422   137.82120
   39    33 S   CT   _C5_    39     1.54952   114.30224   179.31529
   40    39 S   CT   _C4_    40     1.53357   112.14723   -59.86859
   41    40 S   HC   _H3_    41     1.09484   111.83708    60.46640
   42    40 S   HC   _H4_    42     1.09477   111.44491   -61.12723
   43    40 S   HC   _H5_    43     1.09497   111.38622   177.40512
   44    39 S   CT   _C6_    44     1.55034   108.11931   177.15476
   45    44 S   HC   _H6_    45     1.09850   108.55709   -55.48082
   46    44 S   HC   _H7_    46     1.09766   109.52473    60.82285
   47    39 S   OH   _O40    63     1.43102   109.21264    59.52913
   48    47 S   HO   _H15    64     0.97228   108.01297    57.62960
   49    44 S   CT   _C7_    47     1.53196   114.98465  -175.90873
   50    49 S   HC   _H8_    48     1.09646   110.78131    54.05043
   51    49 S   HC   _H9_    49     1.09561   110.76625   -63.43962
   52    49 S   CT   _C8_    50     1.52440   111.33598   175.63170
   53    52 S   HC   _H10    51     1.09476   110.55069   -61.79973
   54    52 S   HC   _H11    52     1.09471   110.52881    58.68274
   55    52 S   OS   _O33    53     1.42171   108.56382   178.99790
   56    55 S   P2   _P1_    54     1.63382   118.79489  -170.34579
   57    56 S   O2Z  _O35    55     1.51235   108.25968  -177.62809
   58    56 S   O2Z  _O34    56     1.51426   108.89721   -45.19071
   59    56 S   OS   _O36    57     1.62758    99.99263    68.26732
   60    59 S   P2   _P2_    58     1.62470   131.48315    61.44272
   61    60 S   O2Z  _O39    59     1.51118   109.88104   -66.17517
   62    60 S   O2Z  _O37    60     1.51098   109.64688    69.52336
   63    60 S   OS   _O38    61     1.63182    98.40353  -178.40947
   64    63 S   HO   _H12    62     0.97835   116.03626  -175.73456
  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   7   5   4   3
  13   5   4   2   1   1  13   9   4   3   2  11   6   5   2   1
   7   5   4   7   3   2   5   7   3   2   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    44    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    46    49    47    48  
   35    39    40    44    47  
   39    40    44    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    52    47    48  
   41    42    43    44    45    46    49    47    48  
   42    43    44    47  
   43    44    47  
   44    47  
   45    46    49    50    51    52    53    54    55    47    48  
   46    49    50    51    52    47  
   49    50    51    52    47  
   48    49  
    0  
   50    51    52    53    54    55    56  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56    57    58    59    60  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   60   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.380000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    44   268.000  1.529
   39    47   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   320.000  1.410
   55    56   230.000  1.697
   56    57   525.000  1.480
   56    58   525.000  1.480
   56    59   230.000  1.697
   59    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    63   230.000  1.697
   63    64   553.000  0.945
   47    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    44    58.35000  112.70000
   33    39    47    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    43    37.50000  110.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    49    58.35000  112.70000
   39    47    48    55.00000  108.50000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    39    40    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56   100.00000  120.50000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57   100.00000  108.23000
   55    56    58   100.00000  108.23000
   55    56    59    45.00000  102.60000
   56    59    60    50.00000  132.62000
   58    56    57   140.00000  119.90000
   59    56    57   100.00000  108.23000
   59    56    58   100.00000  108.23000
   59    60    61   100.00000  108.23000
   59    60    62   100.00000  108.23000
   59    60    63    45.00000  102.60000
   60    63    64    45.00000  108.50000
   62    60    61   140.00000  119.90000
   63    60    61   100.00000  108.23000
   63    60    62   100.00000  108.23000
   47    39    40    50.00000  109.50000
   47    39    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    47   0.56750  1.0 1.0
   29    33    39    47  -0.07550 -1.0 2.0
   29    33    39    47   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    43   0.15000  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    49   0.56750  1.0 1.0
   33    39    44    49  -0.07550 -1.0 2.0
   33    39    44    49   0.20000  1.0 3.0
   33    39    47    48  -0.11600  1.0 1.0
   33    39    47    48  -0.09450 -1.0 2.0
   33    39    47    48   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   34    33    39    47   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    44   0.15000  1.0 3.0
   35    33    39    47   0.23400  1.0 3.0
   39    44    49    50   0.15000  1.0 3.0
   39    44    49    51   0.15000  1.0 3.0
   39    44    49    52   0.56750  1.0 1.0
   39    44    49    52  -0.07550 -1.0 2.0
   39    44    49    52   0.20000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    49   0.56750  1.0 1.0
   40    39    44    49  -0.07550 -1.0 2.0
   40    39    44    49   0.20000  1.0 3.0
   40    39    47    48  -0.11600  1.0 1.0
   40    39    47    48  -0.09450 -1.0 2.0
   40    39    47    48   0.21250  1.0 3.0
   44    39    40    41   0.15000  1.0 3.0
   44    39    40    42   0.15000  1.0 3.0
   44    39    40    43   0.15000  1.0 3.0
   44    39    47    48  -0.11600  1.0 1.0
   44    39    47    48  -0.09450 -1.0 2.0
   44    39    47    48   0.21250  1.0 3.0
   44    49    52    53   0.15000  1.0 3.0
   44    49    52    54   0.15000  1.0 3.0
   44    49    52    55   0.62750  1.0 1.0
   44    49    52    55  -0.30950 -1.0 2.0
   44    49    52    55   0.27300  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    52   0.15000  1.0 3.0
   49    52    55    56  -2.65550  1.0 1.0
   49    52    55    56  -0.22350 -1.0 2.0
   49    52    55    56   0.24150  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.23400  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.23400  1.0 3.0
   52    55    56    57   0.00000  1.0 1.0
   52    55    56    58   0.00000  1.0 1.0
   52    55    56    59   0.05050  1.0 1.0
   52    55    56    59  -1.30700 -1.0 2.0
   52    55    56    59   0.91550  1.0 3.0
   53    52    55    56   0.03000  1.0 3.0
   54    52    55    56   0.03000  1.0 3.0
   55    56    59    60   0.15000  1.0 3.0
   56    59    60    61   0.50000  1.0 3.0
   56    59    60    62   0.50000  1.0 3.0
   56    59    60    63   0.15000  1.0 3.0
   57    56    59    60   0.50000  1.0 3.0
   58    56    59    60   0.50000  1.0 3.0
   59    60    63    64   0.00000  1.0 1.0
   61    60    63    64   0.00000  1.0 1.0
   62    60    63    64   0.00000  1.0 1.0
   47    39    40    41   0.23400  1.0 3.0
   47    39    40    42   0.23400  1.0 3.0
   47    39    40    43   0.23400  1.0 3.0
   47    39    44    45   0.23400  1.0 3.0
   47    39    44    46   0.23400  1.0 3.0
   47    39    44    49   0.86500  1.0 1.0
   47    39    44    49  -0.17500 -1.0 2.0
   47    39    44    49   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
   37    30    36    38  10.50000 -1.0 2.0
END
