* LIGAND DATABASE FILE (OPLS2005)
*
001      74    73    130    190     380
    1     0 S   NP   _N1_     1    28.72389    95.00046   -21.50257
    2     1 S   H    _HN1     2     1.02955    88.57360    36.33275
    3     1 S   H    _H1_     3     1.02834    31.16364   163.91686
    4     1 S   H    _H2_     4     1.02782    91.10841   -71.95317
    5     1 S   CT   _CA1     5     1.50082   141.82939   158.58572
    6     5 S   HC   _HA1     6     1.09578   105.28221    62.19528
    7     5 S   CO3  _C1_     7     1.53841   112.28055   -58.07588
    8     7 S   O2Z  _O11     8     1.26353   115.03571   -47.50011
    9     7 S   O2Z  _O12     9     1.26231   114.90594   131.68386
   10     5 S   CT   _CB1    10     1.53094   107.43044  -179.91607
   11    10 S   HC   HB11    11     1.09816   109.50504   -50.87535
   12    10 S   HC   HB12    12     1.09821   110.40919    65.76700
   13    10 S   CT   _CG1    13     1.52915   112.46623  -171.96588
   14    13 S   HC   HG11    14     1.09507   110.26002   -60.28357
   15    13 S   HC   HG12    15     1.09642   110.12628    58.78258
   16    13 S   C    _CD1    16     1.51746   112.36839   179.20181
   17    16 S   O    _OE1    17     1.22714   123.28408    -8.89293
   18    16 S   N    _N2_    18     1.38573   111.53928   171.63041
   19    18 S   H    _HN2    19     1.01567   118.93735     1.73754
   20    18 S   CT1  _CA2    20     1.46183   123.55027  -179.62570
   21    20 S   HC   _HA2    21     1.09727   109.34916   -12.65652
   22    20 S   C    _C2_    22     1.53419   108.18957  -128.24211
   23    22 S   O    _O2_    23     1.23025   122.42738  -148.18432
   24    20 S   CT   _CB2    32     1.53442   111.49692   109.59689
   25    24 S   HC   HB21    33     1.09584   109.74257    54.47830
   26    24 S   HC   HB22    34     1.09439   110.23919   173.45294
   27    22 S   N    _N3_    24     1.38383   113.45402    39.24389
   28    27 S   H    _HN3    25     1.01651   119.47610    -3.46809
   29    24 S   S    _SG2    35     1.82817   111.66968   -66.73300
   30    27 S   CT   _CA3    26     1.45282   123.10719   177.16351
   31    30 S   HC   HA31    27     1.09553   107.52423   -63.87935
   32    30 S   HC   HA32    28     1.09561   107.94230    52.52374
   33    29 S   CT   _C18    36     1.84571    99.95254   164.17202
   34    33 S   HC   _H3_    37     1.09605   106.72553   -42.55164
   35    30 S   CO3  _C3_    29     1.52929   114.15173   174.49843
   36    35 S   O2Z  _O31    30     1.26360   116.05965    -0.89809
   37    35 S   O2Z  _O32    31     1.26431   114.41149   179.15119
   38    33 S   CT   _C16    38     1.54789   109.76772  -159.08976
   39    38 S   HC   _H37    39     1.09750   110.09185   -61.30057
   40    38 S   HC   _H38    40     1.09585   109.30134  -176.88907
   41    33 S   CT   _C17    66     1.54847   110.76947    74.03471
   42    41 S   HC   _H39    67     1.09725   109.05737   -55.67208
   43    38 S   CT   _C15    41     1.54187   116.06339    61.37390
   44    43 S   HC   _H35    42     1.09699   109.39562   -70.46316
   45    43 S   HC   _H36    43     1.09812   108.40101   175.77451
   46    41 S   CO4  _C8_    68     1.51639   112.85374    63.24941
   47    46 S   O    _O16    69     1.22757   123.22119  -114.68346
   48    46 S   HC   _H24    70     1.10333   116.27981    65.31491
   49    41 S   CT   _C12    71     1.52916   112.68949  -173.78344
   50    49 S   HC   _H28    72     1.09470   112.24191   -69.94835
   51    49 S   HC   _H29    73     1.09612   110.24999   171.25553
   52    49 S   HC   _H30    74     1.09473   111.03159    51.80794
   53    43 S   CM   _C10    44     1.51694   114.77266    54.64832
   54    53 S   CM   _C7_    45     1.34760   119.87210  -113.29319
   55    54 S   HC   _H23    46     1.08902   118.11457     0.42058
   56    53 S   CT   _C11    62     1.50411   115.50238    66.81734
   57    56 S   HC   _H25    63     1.09452   110.48806   -61.38248
   58    56 S   HC   _H26    64     1.09204   113.51407   178.70035
   59    56 S   HC   _H27    65     1.09494   110.06325    58.30338
   60    54 S   CT   _C13    47     1.50278   127.84583   179.96574
   61    60 S   HC   _H31    48     1.09483   111.56195    25.78351
   62    60 S   HC   _H32    49     1.09669   107.88060   141.14350
   63    60 S   CT   _C14    50     1.53327   110.77607   -97.70138
   64    63 S   HC   _H33    51     1.09957   108.70052    57.47288
   65    63 S   HC   _H34    52     1.09687   110.82214   -57.05725
   66    63 S   CM   _C9_    53     1.51398   112.65738   178.92553
   67    66 S   CM   _C5_    54     1.34466   119.83812  -100.28416
   68    67 S   HC   _H20    55     1.08560   121.26171     0.99505
   69    67 S   HC   _H21    56     1.08566   122.09450  -179.27153
   70    66 S   CM   _C6_    57     1.45661   120.60660    81.24212
   71    70 S   HC   _H22    58     1.08925   116.20310   179.77358
   72    70 S   CM   _C4_    59     1.33854   127.06720    -0.06256
   73    72 S   HC   _H18    60     1.08548   120.00829  -179.93744
   74    72 S   HC   _H19    61     1.08273   123.11978    -0.36208
  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
  17   8   2   1   1  12   6   5   9   7  10   4   3   6   2   1
   3   2   1   1  10  12   5   4   2   1   1   8   5   4   9   4
   3   8   5   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    53    41    42    46    47    48    49    50    51    52  
   38    39    40    43    41    42    46    49  
   36    37  
   37  
    0  
   39    40    43    44    45    53    54    56    41    42    46    49  
   40    43    44    45    53    41  
   43    44    45    53    41  
   42    46    47    48    49    50    51    52    43  
   46    47    48    49    50    51    52  
   44    45    53    54    55    60    56    57    58    59  
   45    53    54    56  
   53    54    56  
   47    48    49    50    51    52  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   54    55    60    61    62    63    56    57    58    59  
   55    60    61    62    63    64    65    66    56    57    58    59  
   60    61    62    63    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    70  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    71    72  
   65    66    67    70  
   66    67    70  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72  
   69    70  
   70  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    53   317.000  1.510
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   549.000  1.340
   66    70   380.000  1.444
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   340.000  1.080
   72    74   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   41    42   340.000  1.090
   41    46   317.000  1.522
   41    49   268.000  1.529
   46    47   570.000  1.229
   46    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    63.00000  111.10000
   33    41    49    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    53    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    53    54    70.00000  124.00000
   43    53    56    65.00000  117.92700
   45    43    44    33.00000  107.80000
   53    43    44    35.00000  109.50000
   53    43    45    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    70.00000  112.02700
   60    54    55    35.00000  117.00000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    70.00000  124.00000
   63    66    70    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    72    70.00000  123.01800
   69    67    68    35.00000  117.00000
   70    66    67    70.00000  123.01800
   70    72    73    35.00000  120.00000
   70    72    74    35.00000  120.00000
   72    70    71    35.00000  120.00000
   74    72    73    35.00000  117.00000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    48    35.00000  115.00000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   46    41    42    35.00000  109.50000
   48    46    47    35.00000  123.00000
   49    41    42    37.50000  110.70000
   49    41    46    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    53   0.34400  1.0 1.0
   33    38    43    53   0.09450 -1.0 2.0
   33    38    43    53   0.11100  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    48   0.74550  1.0 1.0
   33    41    46    48  -0.00500 -1.0 2.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    52   0.15000  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    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46  -0.11250  1.0 3.0
   34    33    41    49   0.15000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   38    43    53    54   0.09850  1.0 1.0
   38    43    53    54   0.15250 -1.0 2.0
   38    43    53    54  -0.50650  1.0 3.0
   38    43    53    56   0.46850  1.0 1.0
   38    43    53    56   0.08550 -1.0 2.0
   38    43    53    56   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    53   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    53   0.15000  1.0 3.0
   43    53    54    55   7.00000 -1.0 2.0
   43    53    54    60   7.00000 -1.0 2.0
   43    53    56    57   0.34800  1.0 3.0
   43    53    56    58   0.34800  1.0 3.0
   43    53    56    59   0.34800  1.0 3.0
   44    43    53    54   0.00000  1.0 1.0
   44    43    53    56   0.34800  1.0 3.0
   45    43    53    54   0.00000  1.0 1.0
   45    43    53    56   0.34800  1.0 3.0
   53    54    60    61   0.00000  1.0 1.0
   53    54    60    62   0.00000  1.0 1.0
   53    54    60    63   0.09850  1.0 1.0
   53    54    60    63   0.15250 -1.0 2.0
   53    54    60    63  -0.50650  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    63    64   0.15000  1.0 3.0
   54    60    63    65   0.15000  1.0 3.0
   54    60    63    66   0.31000  1.0 1.0
   54    60    63    66   0.14700 -1.0 2.0
   54    60    63    66   0.07550  1.0 3.0
   55    54    60    61   0.33100  1.0 3.0
   55    54    60    62   0.33100  1.0 3.0
   55    54    60    63   0.00000  1.0 1.0
   60    63    66    67   0.09850  1.0 1.0
   60    63    66    67   0.15250 -1.0 2.0
   60    63    66    67  -0.50650  1.0 3.0
   60    63    66    70   0.98200  1.0 1.0
   60    63    66    70  -0.11900 -1.0 2.0
   60    63    66    70   0.24250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    67    68   7.00000 -1.0 2.0
   63    66    67    69   7.00000 -1.0 2.0
   63    66    70    71   0.00000  1.0 1.0
   63    66    70    72  -0.18600  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    70   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    70   0.00000  1.0 1.0
   66    70    72    73   7.00000 -1.0 2.0
   66    70    72    74   7.00000 -1.0 2.0
   67    66    70    71  -0.18600  1.0 3.0
   67    66    70    72   0.28850  1.0 1.0
   67    66    70    72   2.61350 -1.0 2.0
   67    66    70    72   0.78400  1.0 3.0
   70    66    67    68   7.00000 -1.0 2.0
   70    66    67    69   7.00000 -1.0 2.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    74   7.00000 -1.0 2.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    60   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    52   0.15000  1.0 3.0
   46    41    49    50  -0.11250  1.0 3.0
   46    41    49    51  -0.11250  1.0 3.0
   46    41    49    52  -0.11250  1.0 3.0
   49    41    46    47   0.30150 -1.0 2.0
   49    41    46    48   0.74550  1.0 1.0
   49    41    46    48  -0.00500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   43    56    53    54  15.00000 -1.0 2.0
   60    55    54    53  15.00000 -1.0 2.0
   63    70    66    67  15.00000 -1.0 2.0
   68    69    67    66  15.00000 -1.0 2.0
   66    71    70    72  15.00000 -1.0 2.0
   73    74    72    70  15.00000 -1.0 2.0
   41    48    46    47  10.50000 -1.0 2.0
END
