* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    139    203     395
    1     0 S   NP   _N1_     1    31.24762    89.06580   -23.66932
    2     1 S   H    _HN1     2     1.03508   103.60602    72.97517
    3     1 S   H    _H1_     3     1.02786    17.34009   -29.89873
    4     1 S   H    _H2_     4     1.03502   123.86041   -46.85582
    5     1 S   CT   _CA1     5     1.49929    97.77094  -171.37914
    6     5 S   HC   _HA1     6     1.09692   104.48637    74.67945
    7     5 S   CO3  _C1_     7     1.54369   111.25316   -41.18557
    8     7 S   O2Z  _O11     8     1.26097   116.68627  -115.36271
    9     7 S   O2Z  _O12     9     1.26599   113.90461    63.95497
   10     5 S   CT   _CB1    10     1.53109   107.45663  -169.36584
   11    10 S   HC   HB11    11     1.09762   109.86061   -42.55171
   12    10 S   HC   HB12    12     1.09719   110.47888    73.99815
   13    10 S   CT   _CG1    13     1.53093   112.19484  -163.20970
   14    13 S   HC   HG11    14     1.09494   111.58260   -63.12941
   15    13 S   HC   HG12    15     1.09625   110.58086    55.89594
   16    13 S   C    _CD1    16     1.51299   110.26723   175.09727
   17    16 S   O    _OE1    17     1.22872   121.68406   -92.65449
   18    16 S   N    _N2_    18     1.38437   113.22405    85.86376
   19    18 S   H    _HN2    19     1.01627   119.39653     2.60038
   20    18 S   CT1  _CA2    20     1.45876   122.16327  -176.10288
   21    20 S   HC   _HA2    21     1.09632   108.04924    31.35589
   22    20 S   C    _C2_    22     1.53084   110.80930   -84.58472
   23    22 S   O    _O2_    23     1.23153   120.88230   157.72438
   24    20 S   CT   _CB2    32     1.53447   112.49408   153.82009
   25    24 S   HC   HB21    33     1.09666   109.78627    70.32789
   26    24 S   HC   HB22    34     1.09595   110.16121  -173.16244
   27    22 S   N    _N3_    24     1.38086   114.65360   -29.61709
   28    27 S   H    _HN3    25     1.01617   119.62705     5.96651
   29    24 S   S    _SG2    35     1.82953   115.93684   -49.69199
   30    27 S   CT   _CA3    26     1.45300   122.88217  -176.51120
   31    30 S   HC   HA31    27     1.09560   107.69106   -58.68101
   32    30 S   HC   HA32    28     1.09563   107.73881    57.66406
   33    29 S   CT   _C11    36     1.82154   101.01707   -51.55034
   34    33 S   HC   _H5_    37     1.09376   107.90642    59.33013
   35    30 S   CO3  _C3_    29     1.52881   114.25918   179.57204
   36    35 S   O2Z  _O31    30     1.26340   116.04696     2.03259
   37    35 S   O2Z  _O32    31     1.26436   114.41904  -177.98919
   38    33 S   CT   _C10    38     1.52191   116.98589   -63.85463
   39    38 S   HC   _H4_    39     1.09476   112.92095    79.83505
   40    38 S   CO   _C9_    40     1.53232   102.55266  -157.24412
   41    40 S   HC   _H3_    41     1.09664   111.65561   135.15595
   42    38 S   OH   _O44    76     1.42780   111.03554   -41.42458
   43    42 S   HO   _H12    77     0.97265   107.63344   179.47288
   44    40 S   N*   _N6_    42     1.45304   113.93260  -103.51137
   45    40 S   OS   _O33    56     1.43741   107.78735    18.04274
   46    44 S   CRAB _C8_    43     1.37223   124.10426  -101.04131
   47    46 S   HA   _H8_    44     1.08180   122.46754    -1.39016
   48    33 S   CT   _C12    57     1.52661   112.84425   178.41984
   49    48 S   HC   _H6_    58     1.09758   112.54584    49.86973
   50    46 S   NNA  _N7_    45     1.31503   112.20453   178.36577
   51    48 S   CT   _C13    59     1.52199   113.29919   -76.27577
   52    51 S   HC   _H9_    60     1.09388   111.32987    62.26960
   53    51 S   HC   _H10    61     1.09444   110.20748   -58.28411
   54    50 S   C56B _C6_    46     1.37529   104.91471     0.32264
   55    51 S   OS   _O34    62     1.42471   109.50008  -178.58238
   56    44 S   C56A _C7_    47     1.36920   128.78442    77.23247
   57    55 S   P2   _P1_    63     1.63640   117.58606   153.24445
   58    57 S   O2Z  _O36    64     1.51415   108.34784    47.88506
   59    57 S   O2Z  _O35    65     1.51193   108.24429  -179.49140
   60    56 S   NB   _N5_    48     1.34139   128.35908     1.21466
   61    57 S   OS   _O37    66     1.62627    98.67527   -65.95940
   62    60 S   CQ   _C4_    49     1.34643   110.99180   179.96044
   63    62 S   HA   _H7_    50     1.08459   115.80577  -179.04632
   64    61 S   P2   _P2_    67     1.62293   131.31280   165.84861
   65    64 S   O2Z  _O39    68     1.51255   109.24412    59.62089
   66    64 S   O2Z  _O38    69     1.51482   108.59508   -74.09381
   67    62 S   NB   _N4_    51     1.35263   128.66479     0.92641
   68    64 S   OS   _O40    70     1.62900    99.20679   173.36044
   69    54 S   CA   _C5_    52     1.40403   131.46202  -179.76261
   70    68 S   P2   _P3_    71     1.62685   130.80579   -64.71812
   71    70 S   O2Z  _O43    72     1.51043   109.96581    54.37345
   72    70 S   O2Z  _O41    73     1.51218   108.51918  -171.39180
   73    69 S   NND  _N8_    53     1.38177   122.18533    -0.32746
   74    73 S   H    _H13    54     1.01047   120.29675    -2.37619
   75    73 S   H    _H14    55     1.00997   119.14432  -177.78106
   76    70 S   OS   _O42    74     1.63053    98.71243   -58.87140
   77    76 S   HO   _H11    75     0.98108   115.62612    66.98448
  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   6   3   6
   4   6   7   3   2   8   5   6   7   3   2   4   5   4   2   7
   3   2   4   5   3   4   3   2   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    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    51    52    53    55    42    43  
   38    39    40    45    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    46    56    45    48    49    51    42    43  
   40    41    44    45    48    42    43  
   41    44    46    47    50    54    56    60    45    48    49    51    42    43  
   44    46    56    45    48    42  
   43    44    45    48  
    0  
   46    47    50    54    56    60    62    69    45    48  
   48    49    51    52    53    55    46    56  
   47    50    54    56    60    69  
   50    54    56  
   49    51    52    53    55    57  
   51    52    53    55  
   54    56    60    67    69    73  
   52    53    55    57    58    59    61  
   53    55    57  
   55    57  
   56    60    62    67    69    73    74    75  
   57    58    59    61    64  
   60    62    63    67    69    73  
   58    59    61    64    65    66    68  
   59    61    64  
   61    64  
   62    63    67    69  
   64    65    66    68    70  
   63    67    69    73  
   67    69  
   65    66    68    70    71    72    76  
   66    68    70  
   68    70  
   69    73    74    75  
   70    71    72    76    77  
   73    74    75  
   71    72    76    77  
   72    76    77  
   76    77  
   74    75  
   75  
    0  
   77  
    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   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   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  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   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   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   61   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7400   0.2000   2.264800   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   67   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   68   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   71   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   77   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    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   440.000  1.371
   44    56   436.000  1.374
   46    47   367.000  1.080
   46    50   529.000  1.304
   50    54   414.000  1.391
   54    56   447.000  1.419
   54    69   469.000  1.404
   56    60   461.000  1.354
   60    62   502.000  1.324
   62    63   367.000  1.080
   62    67   502.000  1.324
   67    69   483.000  1.339
   69    73   481.000  1.340
   73    74   434.000  1.010
   73    75   434.000  1.010
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   320.000  1.410
   55    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    61   230.000  1.697
   61    64   230.000  1.697
   64    65   525.000  1.480
   64    66   525.000  1.480
   64    68   230.000  1.697
   68    70   230.000  1.697
   70    71   525.000  1.480
   70    72   525.000  1.480
   70    76   230.000  1.697
   76    77   553.000  0.945
   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    51    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  128.80000
   40    44    56    70.00000  125.80000
   40    45    48    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    47    35.00000  123.05000
   44    46    50    70.00000  113.90000
   44    56    54    70.00000  106.20000
   44    56    60    70.00000  126.20000
   46    50    54    70.00000  103.80000
   50    46    47    35.00000  123.05000
   50    54    56    70.00000  110.40000
   50    54    69    70.00000  132.40000
   54    56    60    70.00000  127.70000
   54    69    67    70.00000  117.30000
   54    69    73    70.00000  123.50000
   56    44    46    70.00000  105.40000
   56    60    62    70.00000  111.00000
   60    62    63    35.00000  115.45000
   60    62    67    70.00000  129.10000
   62    67    69    70.00000  118.60000
   67    62    63    35.00000  115.45000
   67    69    73    70.00000  119.30000
   69    54    56    85.00000  116.20000
   69    73    74    35.00000  120.00000
   69    73    75    35.00000  120.00000
   75    73    74    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    51    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    50.00000  109.50000
   51    48    49    37.50000  110.70000
   51    55    57   100.00000  120.50000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    57    58   100.00000  108.23000
   55    57    59   100.00000  108.23000
   55    57    61    45.00000  102.60000
   57    61    64    50.00000  132.62000
   59    57    58   140.00000  119.90000
   61    57    58   100.00000  108.23000
   61    57    59   100.00000  108.23000
   61    64    65   100.00000  108.23000
   61    64    66   100.00000  108.23000
   61    64    68    45.00000  102.60000
   64    68    70    50.00000  132.62000
   66    64    65   140.00000  119.90000
   68    64    65   100.00000  108.23000
   68    64    66   100.00000  108.23000
   68    70    71   100.00000  108.23000
   68    70    72   100.00000  108.23000
   68    70    76    45.00000  102.60000
   70    76    77    45.00000  108.50000
   72    70    71   140.00000  119.90000
   76    70    71   100.00000  108.23000
   76    70    72   100.00000  108.23000
   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    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.64600  1.0 1.0
   33    38    40    44   0.58400 -1.0 2.0
   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    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.62750  1.0 1.0
   33    48    51    55  -0.30950 -1.0 2.0
   33    48    51    55   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    51   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    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   0.20000  1.0 3.0
   38    40    44    46   1.10250  1.0 1.0
   38    40    44    46   0.01650 -1.0 2.0
   38    40    44    46   0.39100  1.0 3.0
   38    40    44    56   1.10250  1.0 1.0
   38    40    44    56   0.01650 -1.0 2.0
   38    40    44    56   0.39100  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   3.62500 -1.0 2.0
   40    44    46    50   3.62500 -1.0 2.0
   40    44    56    54   0.81400  1.0 1.0
   40    44    56    54   1.55550 -1.0 2.0
   40    44    56    60   3.62500 -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    51   0.06250  1.0 1.0
   40    45    48    51  -0.01100 -1.0 2.0
   40    45    48    51   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    56   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    54   3.62500 -1.0 2.0
   44    56    60    62   3.62500 -1.0 2.0
   46    44   -56    54   0.70250  1.0 1.0
   46    44   -56    54   1.56150 -1.0 2.0
   46    44    56    60   3.62500 -1.0 2.0
   46    50   -54    56   3.62500 -1.0 2.0
   46    50    54    69   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -56    44   3.62500 -1.0 2.0
   50    54    56    60   3.62500 -1.0 2.0
   50    54    69    67   3.62500 -1.0 2.0
   50    54    69    73   3.62500 -1.0 2.0
   54    56    60    62   3.62500 -1.0 2.0
   54    69    73    74   0.70000 -1.0 2.0
   54    69    73    75   0.70000 -1.0 2.0
   56    44    46    47   3.62500 -1.0 2.0
   56    44   -46    50   3.62500 -1.0 2.0
   56    54    69    67   3.62500 -1.0 2.0
   56    54    69    73   3.62500 -1.0 2.0
   56    60    62    63   3.62500 -1.0 2.0
   56    60   -62    67   3.62500 -1.0 2.0
   60    62    67    69   3.62500 -1.0 2.0
   62    67   -69    54   3.62500 -1.0 2.0
   62    67    69    73   3.62500 -1.0 2.0
   63    62    67    69   3.62500 -1.0 2.0
   67    69    73    74   0.70000 -1.0 2.0
   67    69    73    75   0.70000 -1.0 2.0
   69    54    56    44   3.00000 -1.0 2.0
   69    54   -56    60   3.62500 -1.0 2.0
   45    40    44    46   0.10350  1.0 1.0
   45    40    44    46  -0.15350 -1.0 2.0
   45    40    44    56   0.10350  1.0 1.0
   45    40    44    56  -0.15350 -1.0 2.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    53   0.23400  1.0 3.0
   45    48    51    55   1.11900  1.0 1.0
   45    48    51    55  -1.16350 -1.0 2.0
   45    48    51    55  -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    51    55    57  -2.65550  1.0 1.0
   48    51    55    57  -0.22350 -1.0 2.0
   48    51    55    57   0.24150  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.23400  1.0 3.0
   51    55    57    58   0.00000  1.0 1.0
   51    55    57    59   0.00000  1.0 1.0
   51    55    57    61   0.05050  1.0 1.0
   51    55    57    61  -1.30700 -1.0 2.0
   51    55    57    61   0.91550  1.0 3.0
   52    51    55    57   0.03000  1.0 3.0
   53    51    55    57   0.03000  1.0 3.0
   55    57    61    64   0.15000  1.0 3.0
   57    61    64    65   0.50000  1.0 3.0
   57    61    64    66   0.50000  1.0 3.0
   57    61    64    68   0.15000  1.0 3.0
   58    57    61    64   0.50000  1.0 3.0
   59    57    61    64   0.50000  1.0 3.0
   61    64    68    70   0.15000  1.0 3.0
   64    68    70    71   0.50000  1.0 3.0
   64    68    70    72   0.50000  1.0 3.0
   64    68    70    76   0.15000  1.0 3.0
   65    64    68    70   0.50000  1.0 3.0
   66    64    68    70   0.50000  1.0 3.0
   68    70    76    77   0.00000  1.0 1.0
   71    70    76    77   0.00000  1.0 1.0
   72    70    76    77   0.00000  1.0 1.0
   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    56    44    40   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   56    69    54    50   4.00000 -1.0 2.0
   54    60    56    44   4.00000 -1.0 2.0
   67    63    62    60   1.10000 -1.0 2.0
   67    73    69    54   4.00000 -1.0 2.0
   75    69    73    74   1.00000 -1.0 2.0
END
