* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    116    178     340
    1     0 S   NP   _N1_     1    28.82471    95.53597   -21.49098
    2     1 S   H    _HN1     2     1.02943    81.06301    26.36707
    3     1 S   H    _H1_     3     1.02839    37.24872   160.83638
    4     1 S   H    _H2_     4     1.02795    91.99170   -81.80764
    5     1 S   CT   _CA1     5     1.50091   146.75121   140.46066
    6     5 S   HC   _HA1     6     1.09587   105.18999    72.40375
    7     5 S   CO3  _C1_     7     1.53635   112.30563   -47.66035
    8     7 S   O2Z  _O11     8     1.26408   115.22151   -49.43048
    9     7 S   O2Z  _O12     9     1.26215   114.97884   129.80161
   10     5 S   CT   _CB1    10     1.53083   107.41726  -169.94281
   11    10 S   HC   HB11    11     1.09827   109.10524   -51.99154
   12    10 S   HC   HB12    12     1.09816   110.57594    64.49806
   13    10 S   CT   _CG1    13     1.53033   112.69920  -173.12043
   14    13 S   HC   HG11    14     1.09604   110.45011   -66.71252
   15    13 S   HC   HG12    15     1.09665   109.95824    52.49742
   16    13 S   C    _CD1    16     1.51858   112.22718   172.61085
   17    16 S   O    _OE1    17     1.22738   123.23850    -0.43879
   18    16 S   N    _N2_    18     1.38633   111.73490   180.00000
   19    18 S   H    _HN2    19     1.01598   118.97902     0.35991
   20    18 S   CT1  _CA2    20     1.46285   123.33936   177.70902
   21    20 S   HC   _HA2    21     1.09743   109.32829    -8.02057
   22    20 S   C    _C2_    22     1.53423   108.32341  -123.36963
   23    22 S   O    _O2_    23     1.23028   122.38895  -147.78420
   24    20 S   CT   _CB2    32     1.53356   111.67162   114.13119
   25    24 S   HC   HB21    33     1.09476   109.81396    55.57757
   26    24 S   HC   HB22    34     1.09513   110.41940   174.48136
   27    22 S   N    _N3_    24     1.38367   113.46942    39.73245
   28    27 S   H    _HN3    25     1.01635   119.51076    -3.64513
   29    24 S   S    _SG2    35     1.82647   111.30431   -66.05394
   30    27 S   CT   _CA3    26     1.45287   123.14842   176.94681
   31    30 S   HC   HA31    27     1.09551   107.54531   -63.42349
   32    30 S   HC   HA32    28     1.09558   107.92933    52.98829
   33    29 S   CT   _C10    36     1.83583    99.75741   174.48861
   34    33 S   HC   _H5_    37     1.09537   107.66590    48.36304
   35    30 S   CO3  _C3_    29     1.52940   114.11745   174.95892
   36    35 S   O2Z  _O31    30     1.26368   116.05237    -0.63242
   37    35 S   O2Z  _O32    31     1.26428   114.41431   179.42223
   38    33 S   CT   _C9_    38     1.52281   111.11918   -76.14288
   39    38 S   HC   _H4_    39     1.09409   114.59275    30.68604
   40    38 S   CO   _C8_    40     1.53630   104.68188   -94.11235
   41    40 S   HC   _H3_    41     1.09704   110.59892  -126.08269
   42    38 S   OH   _O38    64     1.43090   108.45098   149.03291
   43    42 S   HO   _H13    65     0.97356   107.24306   177.67678
   44    40 S   N*   _N4_    42     1.46899   112.29377   113.73751
   45    40 S   OS   _O34    54     1.43718   107.41718   -10.03809
   46    44 S   CNA  _C5_    43     1.37743   121.14977   -96.51616
   47    46 S   HC   _H8_    44     1.08372   117.91966    -2.54453
   48    33 S   CT   _C11    55     1.53291   114.04439   169.97242
   49    48 S   HC   _H6_    56     1.09915   108.92847  -163.70878
   50    46 S   CM   _C4_    45     1.33158   121.86518   177.26005
   51    50 S   HC   _H7_    46     1.08159   123.12675  -179.81548
   52    48 S   CT   _C12    57     1.52737   117.45394   -39.66391
   53    52 S   HC   _H11    58     1.09696   110.60835    74.19607
   54    52 S   HC   _H12    59     1.09730   109.64800   -47.62366
   55    50 S   CDX  _C7_    47     1.48298   116.45544     0.40445
   56    52 S   OS   _O35    60     1.43017   107.89673  -166.84798
   57    55 S   NNC  _N5_    48     1.30469   121.91446    -0.46225
   58    55 S   NND  _N6_    51     1.37167   118.42291   179.70261
   59    58 S   H    _H9_    52     1.01683   122.01279     4.97288
   60    58 S   H    _H10    53     1.01337   120.55987   178.35551
   61    56 S   PR   _P1_    61     1.62168   116.28641   176.70800
   62    61 S   OM   _O37    62     1.64158    98.03811    87.06274
   63    61 S   OM   _O36    63     1.64097    97.75061  -173.71631
   64    44 S   C    _C6_    49     1.40952   118.29931    80.14175
   65    64 S   O    _O33    50     1.23291   121.15200     1.02717
  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  12   7  14   6   4   1  10   8   8   4   6
   4   7   3   6   3   2   6   3   5   3   1   1   2   1   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    48    49    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    52    53    54    56    42    43  
   38    39    40    45    48    49    52    42  
   36    37  
   37  
    0  
   39    40    41    44    46    64    45    48    49    52    42    43  
   40    41    44    45    48    42    43  
   41    44    46    47    50    57    64    65    45    48    49    52    42    43  
   44    46    64    45    48    42  
   43    44    45    48  
    0  
   46    47    50    51    55    57    64    65    45    48  
   48    49    52    53    54    56    46    64  
   47    50    51    55    57    64    65    58  
   50    51    55    64  
   49    52    53    54    56    61  
   52    53    54    56  
   51    55    57    64    58    59    60  
   55    57    58  
   53    54    56    61    62    63  
   54    56    61  
   56    61  
   57    64    65    58    59    60  
   61    62    63  
   64    65    58    59    60  
   59    60    64  
   60  
    0  
   62    63  
   63  
    0  
   65  
    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   0.205000   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   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.5000   0.0500   0.100000   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   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   57   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   58   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   64   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
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    48   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    44   275.000  1.479
   40    45   320.000  1.380
   44    46   448.000  1.365
   44    64   418.000  1.388
   46    47   367.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    55   427.000  1.433
   55    57   585.000  1.311
   55    58   481.000  1.340
   57    64   457.000  1.358
   64    65   570.000  1.229
   58    59   434.000  1.010
   58    60   434.000  1.010
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   320.000  1.410
   56    61   325.000  1.672
   61    62   325.000  1.672
   61    63   325.000  1.672
   42    43   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    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    48    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    48    45    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    44    75.00000  107.44000
   38    40    45    90.00000  108.56700
   38    42    43    55.00000  108.50000
   40    38    39    45.00000  108.72000
   40    44    46    70.00000  121.20000
   40    44    64    70.00000  117.60000
   40    45    48    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    47    35.00000  119.10000
   44    46    50    70.00000  121.20000
   44    64    57    70.00000  118.60000
   44    64    65    80.00000  120.60000
   46    50    51    35.00000  120.00000
   46    50    55    85.00000  117.00000
   50    46    47    35.00000  119.70000
   50    55    57    70.00000  121.02800
   50    55    58    70.00000  120.10000
   55    50    51    35.00000  123.30000
   55    57    64    70.00000  123.15400
   55    58    59    35.00000  120.00000
   55    58    60    35.00000  120.00000
   57    64    65    80.00000  122.50000
   64    44    46    70.00000  121.60000
   58    55    57    70.00000  119.30000
   60    58    59    35.00000  120.00000
   45    40    41    35.00000  109.50000
   45    40    44   105.00000  106.22000
   45    48    49    35.00000  109.50000
   45    48    52    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    56    50.00000  109.50000
   52    48    49    37.50000  110.70000
   52    56    61   100.00000  120.50000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    61    62    45.00000  102.60000
   56    61    63    45.00000  102.60000
   63    61    62    35.00000   94.00000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  111.58700
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.44750  1.0 1.0
   29    33    48    52  -0.17800 -1.0 2.0
   29    33    48    52   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.27100  1.0 1.0
   33    38    40    44  -0.01700 -1.0 2.0
   33    38    40    44  -0.48600  1.0 3.0
   33    38   -40    45   0.62750  1.0 1.0
   33    38   -40    45  -0.30950 -1.0 2.0
   33    38   -40    45   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    52    53   0.15000  1.0 3.0
   33    48    52    54   0.15000  1.0 3.0
   33    48    52    56   0.62750  1.0 1.0
   33    48    52    56  -0.30950 -1.0 2.0
   33    48    52    56   0.27300  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    48    45   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    52   0.15000  1.0 3.0
   38    33   -48    45   0.62750  1.0 1.0
   38    33   -48    45  -0.30950 -1.0 2.0
   38    33   -48    45   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    52   0.56750  1.0 1.0
   38    33    48    52  -0.07550 -1.0 2.0
   38    33    48    52   0.20000  1.0 3.0
   38    40    44    46   2.08450  1.0 1.0
   38    40    44    46  -0.39300 -1.0 2.0
   38    40    44    46   0.23400  1.0 3.0
   38    40    44    64  -0.43950  1.0 1.0
   38    40    44    64  -0.08100 -1.0 2.0
   38    40    44    64   0.03350  1.0 3.0
   38    40   -45    48   0.06250  1.0 1.0
   38    40   -45    48  -0.01100 -1.0 2.0
   38    40   -45    48   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    46    47   1.88100 -1.0 2.0
   40    44    46    50  -0.88150  1.0 1.0
   40    44    46    50   2.95600 -1.0 2.0
   40    44    64    57   3.62500 -1.0 2.0
   40    44    64    65   3.04450 -1.0 2.0
   40    45   -48    33   0.06250  1.0 1.0
   40    45   -48    33  -0.01100 -1.0 2.0
   40    45   -48    33   0.28050  1.0 3.0
   40    45    48    49   0.37050  1.0 3.0
   40    45    48    52   0.06250  1.0 1.0
   40    45    48    52  -0.01100 -1.0 2.0
   40    45    48    52   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    64   0.00000  1.0 1.0
   41    40    45    48   0.37050  1.0 3.0
   44    40    45    48  -2.37750  1.0 1.0
   44    40    45    48  -0.08150 -1.0 2.0
   44    40    45    48   0.59000  1.0 3.0
   44    46    50    51   0.97550 -1.0 2.0
   44    46    50    55   7.00000 -1.0 2.0
   46    44    64    57   3.62500 -1.0 2.0
   46    44    64    65   2.67200 -1.0 2.0
   46    50   -55    57   7.00000 -1.0 2.0
   46    50    55    58   7.00000 -1.0 2.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    55   7.00000 -1.0 2.0
   50    55    57    64   3.62500 -1.0 2.0
   50    55    58    59   0.70000 -1.0 2.0
   50    55    58    60   0.70000 -1.0 2.0
   51    50    55    57   7.00000 -1.0 2.0
   51    50    55    58   7.00000 -1.0 2.0
   55    57   -64    44   3.62500 -1.0 2.0
   55    57    64    65   3.04450 -1.0 2.0
   57    55    58    59   0.70000 -1.0 2.0
   57    55    58    60   0.70000 -1.0 2.0
   64    44    46    47   1.44600  1.0 1.0
   64    44   -46    50  -0.18900  1.0 1.0
   64    44   -46    50   1.70900 -1.0 2.0
   58    55    57    64   3.62500 -1.0 2.0
   45    40    44    46  -0.28000  1.0 1.0
   45    40    44    46  -1.16550 -1.0 2.0
   45    40    44    64  -2.75650  1.0 1.0
   45    40    44    64  -1.18150 -1.0 2.0
   45    40    44    64   0.81900  1.0 3.0
   45    48    52    53   0.23400  1.0 3.0
   45    48    52    54   0.23400  1.0 3.0
   45    48    52    56   1.11900  1.0 1.0
   45    48    52    56  -1.16350 -1.0 2.0
   45    48    52    56  -0.34150  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    52    56    61  -2.65550  1.0 1.0
   48    52    56    61  -0.22350 -1.0 2.0
   48    52    56    61   0.24150  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    56   0.23400  1.0 3.0
   52    56    61    62   0.05050  1.0 1.0
   52    56    61    62  -1.30700 -1.0 2.0
   52    56    61    62   0.91550  1.0 3.0
   52    56    61    63   0.05050  1.0 1.0
   52    56    61    63  -1.30700 -1.0 2.0
   52    56    61    63   0.91550  1.0 3.0
   53    52    56    61   0.03000  1.0 3.0
   54    52    56    61   0.03000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   2.76900  1.0 1.0
   42    38    40    44  -0.24350 -1.0 2.0
   42    38    40    44  -0.78250  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -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
   36    30    35    37  10.50000 -1.0 2.0
   46    64    44    40   1.00000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   55    51    50    46   1.10000 -1.0 2.0
   58    50    55    57  10.50000 -1.0 2.0
   44    57    64    65  10.50000 -1.0 2.0
   60    55    58    59   1.00000 -1.0 2.0
END
