* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    140    205     397
    1     0 S   NP   _N1_     1    28.54816    95.28155   -22.01657
    2     1 S   H    _HN1     2     1.02774    95.70257   -70.18578
    3     1 S   H    _H1_     3     1.02967    81.18864    37.54818
    4     1 S   H    _H2_     4     1.02831    34.42423   176.11920
    5     1 S   CT   _CA1     5     1.50138   143.02535   149.80995
    6     5 S   HC   _HA1     6     1.09581   105.19104    74.55198
    7     5 S   CO3  _C1_     7     1.53762   112.49610   -45.49965
    8     7 S   O2Z  _O11     8     1.26343   114.99626   -41.21014
    9     7 S   O2Z  _O12     9     1.26248   114.92501   137.94791
   10     5 S   CT   _CB1    10     1.53103   107.39782  -167.63802
   11    10 S   HC   HB11    11     1.09821   109.14384   -51.68077
   12    10 S   HC   HB12    12     1.09817   110.45564    64.80661
   13    10 S   CT   _CG1    13     1.53004   112.76213  -172.88305
   14    13 S   HC   HG11    14     1.09599   110.36989   -66.38088
   15    13 S   HC   HG12    15     1.09662   109.99275    52.81102
   16    13 S   C    _CD1    16     1.51837   112.43313   172.99509
   17    16 S   O    _OE1    17     1.22711   123.30502    -3.10633
   18    16 S   N    _N2_    18     1.38644   111.61175   177.48518
   19    18 S   H    _HN2    19     1.01590   118.95555     0.50976
   20    18 S   CT1  _CA2    20     1.46162   123.41534   178.33329
   21    20 S   HC   _HA2    21     1.09738   109.42477    -7.18534
   22    20 S   C    _C2_    22     1.53501   108.27531  -122.66789
   23    22 S   O    _O2_    23     1.23027   122.18663  -145.44574
   24    20 S   CT   _CB2    32     1.53385   111.66798   115.00732
   25    24 S   HC   HB21    33     1.09590   110.06496    54.38596
   26    24 S   HC   HB22    34     1.09413   109.96675   173.29741
   27    22 S   N    _N3_    24     1.38484   113.45766    41.88477
   28    27 S   H    _HN3    25     1.01513   118.97667    -0.61897
   29    24 S   S    _SG2    35     1.82751   111.83144   -66.64125
   30    27 S   CT   _CA3    26     1.45463   123.51133   175.11818
   31    30 S   HC   HA31    27     1.09517   109.32693    22.73039
   32    30 S   HC   HA32    28     1.09497   107.10183   139.75702
   33    29 S   CT   _C11    36     1.83575    99.47996   174.39115
   34    33 S   HC   _H5_    37     1.09547   107.43021   -49.14753
   35    30 S   CO3  _C3_    29     1.52921   113.04233  -100.80331
   36    35 S   O2Z  _O31    30     1.26406   115.37973   -44.75202
   37    35 S   O2Z  _O32    31     1.26350   114.99399   136.14596
   38    33 S   CT   _C10    38     1.52281   111.54883    75.39297
   39    38 S   HC   _H4_    39     1.09346   115.81782   -37.36592
   40    38 S   CO   _C9_    40     1.53216   102.45033    85.22374
   41    40 S   HC   _H3_    41     1.09711   110.62842   -82.44588
   42    38 S   OH   _O45    76     1.43089   108.12660  -157.74447
   43    42 S   HO   _H11    77     0.97263   107.53279    67.44180
   44    40 S   N*   _N7_    42     1.45237   116.86838   156.19732
   45    40 S   OS   _O34    57     1.43706   105.67067    32.81482
   46    44 S   CRAB _C4_    43     1.37789   125.12483    39.01922
   47    46 S   HA   _H7_    44     1.08153   122.37806    -4.07054
   48    33 S   CT   _C12    58     1.53694   115.02634  -170.48957
   49    48 S   HC   _H6_    59     1.09846   108.68812   157.29546
   50    46 S   NNA  _N4_    45     1.31766   112.63492   175.78750
   51    48 S   CT   _C13    60     1.52402   117.91701    33.27439
   52    51 S   HC   _H9_    61     1.09398   111.07209    50.69897
   53    51 S   HC   _H10    62     1.09451   111.29656   -71.37128
   54    50 S   CB   _C5_    46     1.36315   103.88395    -1.95675
   55    51 S   OS   _O35    63     1.42731   108.22865   168.31251
   56    44 S   CN   _C8_    47     1.36973   128.15390  -148.73132
   57    55 S   P2   _P1_    64     1.63543   119.44102   132.02270
   58    57 S   O2Z  _O37    65     1.51306   107.57935  -177.56804
   59    57 S   O2Z  _O36    66     1.51332   108.50152    50.31624
   60    56 S   NNC  _N6_    48     1.35331   127.18115     3.88907
   61    57 S   OS   _O38    67     1.62658    99.04383   -63.93674
   62    60 S   CDX  _C7_    49     1.31180   113.86254  -177.45516
   63    61 S   P2   _P2_    68     1.62823   131.14151  -173.44797
   64    63 S   O2Z  _O40    69     1.51390   108.15202    71.71976
   65    63 S   O2Z  _O39    70     1.51276   108.56652   -61.34039
   66    62 S   NNB  _N5_    50     1.40670   122.66907    -1.11259
   67    66 S   H    _H8_    51     1.01326   117.72371   179.89165
   68    62 S   NND  _N8_    54     1.36631   121.94292   178.78115
   69    68 S   H    _H12    55     1.01857   120.16645    -7.37044
   70    68 S   H    _H13    56     1.01172   122.09571  -173.65916
   71    63 S   OS   _O41    71     1.62789    97.99197  -174.97543
   72    54 S   C    _C6_    52     1.43874   128.53068  -177.38371
   73    72 S   O    _O33    53     1.22548   124.05833    -2.44384
   74    71 S   P3   _P3_    72     1.64145   132.25294  -179.58316
   75    74 S   O2Z  _O43    73     1.52677   103.75270   177.82372
   76    74 S   O2Z  _O44    74     1.52488   104.81136   -62.60370
   77    74 S   O2Z  _O42    75     1.52506   105.01323    58.10845
  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   7   5   6   7   3   2   7   5   7   7   3
   2   6   3   3   1   1   4   1   1   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    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    72    45    48  
   48    49    51    52    53    55    46    56  
   47    50    54    56    60    72  
   50    54    56  
   49    51    52    53    55    57  
   51    52    53    55  
   54    56    60    66    72    73  
   52    53    55    57    58    59    61  
   53    55    57  
   55    57  
   56    60    62    66    67    72    73  
   57    58    59    61    63  
   60    62    66    72    73    68  
   58    59    61    63    64    65    71  
   59    61    63  
   61    63  
   62    66    67    72    68    69    70  
   63    64    65    71    74  
   66    67    72    73    68    69    70  
   64    65    71    74    75    76    77  
   65    71    74  
   71    74  
   67    72    73    68    69    70  
   72    73    68  
   69    70    72  
   70  
    0  
   74    75    76    77  
   73  
    0  
   75    76    77  
   76    77  
   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   0.120000   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   0.340000   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  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   61   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   63   3.7400   0.2000   1.841100   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   66   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   69   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.8500   0.1400  -0.663300   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
   74   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   75   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   76   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   77   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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   520.000  1.370
   54    72   447.000  1.419
   56    60   461.000  1.354
   60    62   585.000  1.311
   62    66   427.000  1.381
   62    68   481.000  1.340
   66    67   434.000  1.010
   66    72   418.000  1.388
   72    73   570.000  1.229
   68    69   434.000  1.010
   68    70   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    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    71   230.000  1.697
   71    74   230.000  1.630
   74    75   525.000  1.516
   74    76   525.000  1.516
   74    77   525.000  1.516
   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    72    70.00000  130.00000
   54    56    60    70.00000  127.70000
   54    72    66    70.00000  111.30000
   54    72    73    80.00000  128.80000
   56    44    46    70.00000  105.40000
   56    60    62    70.00000  112.20000
   60    62    66    70.00000  123.30000
   60    62    68    70.00000  119.30000
   62    66    67    35.00000  118.00000
   62    66    72    70.00000  125.20000
   62    68    69    35.00000  120.00000
   62    68    70    35.00000  120.00000
   66    72    73    80.00000  120.60000
   72    54    56    85.00000  119.20000
   72    66    67    35.00000  116.80000
   68    62    66    70.00000  116.00000
   70    68    69    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    63    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    63    64   100.00000  108.23000
   61    63    65   100.00000  108.23000
   61    63    71    45.00000  102.60000
   63    71    74    45.00000  143.19000
   65    63    64   140.00000  119.90000
   71    63    64   100.00000  108.23000
   71    63    65   100.00000  108.23000
   71    74    75   100.00000  107.00000
   71    74    76   100.00000  107.00000
   71    74    77   100.00000  107.00000
   76    74    75   140.00000  114.00000
   77    74    75   140.00000  114.00000
   77    74    76   140.00000  114.00000
   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    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   1.25000 -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    72   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    72    66   5.37500 -1.0 2.0
   50    54    72    73   0.41000 -1.0 2.0
   54    56    60    62   3.62500 -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    72    66   1.50000 -1.0 2.0
   56    54    72    73   1.05000 -1.0 2.0
   56    60   -62    66   3.62500 -1.0 2.0
   56    60    62    68   3.62500 -1.0 2.0
   60    62    66    67   3.62500 -1.0 2.0
   60    62    66    72   3.62500 -1.0 2.0
   60    62    68    69   0.70000 -1.0 2.0
   60    62    68    70   0.70000 -1.0 2.0
   62    66   -72    54   1.52500 -1.0 2.0
   62    66    72    73   3.04450 -1.0 2.0
   66    62    68    69   1.01500 -1.0 2.0
   66    62    68    70   1.01500 -1.0 2.0
   67    66    72    54   1.52500 -1.0 2.0
   67    66    72    73   2.45000 -1.0 2.0
   72    54    56    44   3.62500 -1.0 2.0
   72    54   -56    60   3.62500 -1.0 2.0
   68    62    66    67   3.62500 -1.0 2.0
   68    62    66    72   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    63   0.15000  1.0 3.0
   57    61    63    64   0.50000  1.0 3.0
   57    61    63    65   0.50000  1.0 3.0
   57    61    63    71   0.15000  1.0 3.0
   58    57    61    63   0.50000  1.0 3.0
   59    57    61    63   0.50000  1.0 3.0
   61    63    71    74   0.15000  1.0 3.0
   63    71    74    75   0.50000  1.0 3.0
   63    71    74    76   0.50000  1.0 3.0
   63    71    74    77   0.50000  1.0 3.0
   64    63    71    74   0.50000  1.0 3.0
   65    63    71    74   0.50000  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    56    44    40   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   56    72    54    50   4.00000 -1.0 2.0
   54    60    56    44   4.00000 -1.0 2.0
   66    68    62    60  10.50000 -1.0 2.0
   67    62    66    72   1.00000 -1.0 2.0
   54    66    72    73  10.50000 -1.0 2.0
   70    62    68    69   1.00000 -1.0 2.0
END
