* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    136    218     406
    1     0 S   NP   _N1_     1    28.71286    96.09555   -22.65637
    2     1 S   H    _HN1     2     1.02950    75.85852    19.97327
    3     1 S   H    _H1_     3     1.02829    37.60885   165.42341
    4     1 S   H    _H2_     4     1.02784    98.94762   -86.82024
    5     1 S   CT   _CA1     5     1.50103   143.14385   125.25640
    6     5 S   HC   _HA1     6     1.09572   105.22412    84.15452
    7     5 S   CO3  _C1_     7     1.53796   112.40385   -36.12676
    8     7 S   O2Z  _O11     8     1.26373   115.01290   -44.01528
    9     7 S   O2Z  _O12     9     1.26236   114.93899   135.14989
   10     5 S   CT   _CB1    10     1.53081   107.42663  -157.86072
   11    10 S   HC   HB11    11     1.09831   109.41753   -49.87434
   12    10 S   HC   HB12    12     1.09815   110.42766    66.73347
   13    10 S   CT   _CG1    13     1.52988   112.59074  -170.86440
   14    13 S   HC   HG11    14     1.09587   110.59240   -64.25617
   15    13 S   HC   HG12    15     1.09665   109.84520    54.98205
   16    13 S   C    _CD1    16     1.51791   112.24658   175.44749
   17    16 S   O    _OE1    17     1.22731   123.29403     4.42306
   18    16 S   N    _N2_    18     1.38656   111.65533  -175.73883
   19    18 S   H    _HN2    19     1.01585   118.96243     1.89259
   20    18 S   CT1  _CA2    20     1.46183   123.34516   178.36685
   21    20 S   HC   _HA2    21     1.09739   109.35977    -0.15195
   22    20 S   C    _C2_    22     1.53508   108.56289  -115.62641
   23    22 S   O    _O2_    23     1.23051   122.28690  -147.81890
   24    20 S   CT   _CB2    32     1.53484   111.69616   121.78783
   25    24 S   HC   HB21    33     1.09535   109.67295    56.65746
   26    24 S   HC   HB22    34     1.09351   109.75133   175.48698
   27    22 S   N    _N3_    24     1.38334   113.64924    39.61159
   28    27 S   H    _HN3    25     1.01604   119.56420    -3.44031
   29    24 S   S    _SG2    35     1.82973   111.24373   -63.64039
   30    27 S   CT   _CA3    26     1.45291   123.18401   177.07337
   31    30 S   HC   HA31    27     1.09550   107.51527   -64.31187
   32    30 S   HC   HA32    28     1.09557   107.97065    52.11493
   33    29 S   CT   _C16    36     1.86912   102.17451  -168.20572
   34    30 S   CO3  _C3_    29     1.52953   114.10191   174.10602
   35    34 S   O2Z  _O31    30     1.26373   116.06146    -0.73489
   36    34 S   O2Z  _O32    31     1.26428   114.41403   179.32798
   37    33 S   CT   _C11    37     1.55244   110.27070    72.90750
   38    37 S   HC   _H26    38     1.09231   114.01437   -32.15087
   39    37 S   HC   _H27    39     1.09558   111.67865  -156.65556
   40    33 S   CT   _C18    68     1.54051   109.89624   -49.71384
   41    40 S   HC   _H35    69     1.09489   111.06932    70.20146
   42    40 S   HC   _H36    70     1.09461   111.79881   -50.67519
   43    37 S   CO4  _C7_    40     1.50959   103.99653    87.87636
   44    43 S   O    _O16    41     1.22053   123.80115  -177.47788
   45    40 S   OH   _O20    71     1.42438   111.08689  -171.22488
   46    45 S   HO   _H38    72     0.97268   107.09292   178.04015
   47    43 S   CM   _C4_    42     1.50140   110.27062     5.42791
   48    47 S   CM   _C5_    43     1.34770   125.51033  -151.85658
   49    33 S   CT   _C12    57     1.56757   109.88704  -175.58976
   50    49 S   HC   _H28    58     1.10268   106.35608   174.69156
   51    48 S   CT   _C10    44     1.52028   123.46667   169.73348
   52    51 S   HC   _H24    45     1.09921   108.23322   174.06730
   53    51 S   HC   _H25    46     1.09827   107.27073   -73.25221
   54    48 S   CT   _C17    64     1.51136   124.21577    -3.64524
   55    54 S   HC   _H32    65     1.09615   110.00351   126.41351
   56    54 S   HC   _H33    66     1.08945   114.69739     7.07177
   57    54 S   HC   _H34    67     1.09509   109.78605  -114.52308
   58    51 S   CT   _C15    47     1.53510   119.54215    51.78869
   59    58 S   HC   _H31    48     1.09727   106.63119  -172.27694
   60    58 S   CT   _C13    49     1.53118   116.73733   -49.03876
   61    60 S   HC   _H29    50     1.10029   109.41839    98.97464
   62    58 S   OH   _O19    62     1.43180   109.24674    73.58389
   63    62 S   HO   _H37    63     0.97243   107.82677    56.52086
   64    60 S   CM   _C6_    51     1.49449   116.57135  -141.39287
   65    64 S   CO4  _C8_    52     1.47719   108.25476   147.57630
   66    65 S   O    _O17    53     1.21729   127.17187   169.42694
   67    64 S   CM   _C9_    59     1.33595   130.21167   -32.16593
   68    67 S   HC   _H22    60     1.08472   121.15193    -0.76413
   69    67 S   HC   _H23    61     1.08531   121.66644   179.79158
   70    65 S   OS   _O18    54     1.36245   106.94417    -9.10671
   71    60 S   CT   _C14    55     1.52588   114.54824   -25.02214
   72    71 S   HC   _H30    56     1.09601   112.21632   -39.01661
  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  13   5   4   3
  18   2   1   1  13   6   5   9   4   3   8   3   2   1  15  14
  11   4  14   6   5   4   2   1   1  11   6  12   7   3   1   8
   7   3   4   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    71    49    50    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    47    48    60    70    71    72    49    50    40    41    42    45    46  
   35    36  
   36  
    0  
   38    39    43    44    47    48    71    49    50    40    41    42    45  
   39    43    44    47    49    40  
   43    44    47    49    40  
   41    42    45    46    43    47    49    50    71  
   42    45    46    49  
   45    46    49  
   44    47    48    51    71    49    50    54  
   47    48    49  
   46    49  
    0  
   48    51    52    53    58    60    70    71    72    49    50    54    55    56    57  
   51    52    53    58    59    60    71    49    50    62    54    55    56    57  
   50    54    51    58    60    61    64    65    70    71    72  
   60    70    71    72  
   52    53    58    59    60    61    64    71    62    63    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    64    65    70    71    72    67    62    63  
   60    61    64    71    62    63  
   61    64    65    66    70    71    72    67    68    69    62    63  
   64    65    70    71    72    67    62  
   63    64    71  
    0  
   65    66    70    71    72    67    68    69  
   66    70    71    72    67    68    69  
   70    71    67  
   68    69    70    71  
   69  
    0  
   71    72  
   72  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   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   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    47   320.000  1.462
   47    48   549.000  1.340
   47    49   317.000  1.510
   48    51   317.000  1.510
   48    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    64   317.000  1.510
   60    71   268.000  1.529
   64    65   320.000  1.462
   64    67   549.000  1.340
   65    66   570.000  1.229
   65    70   214.000  1.327
   70    71   320.000  1.410
   71    72   340.000  1.090
   71    49   268.000  1.529
   49    50   340.000  1.090
   67    68   340.000  1.080
   67    69   340.000  1.080
   62    63   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   320.000  1.410
   45    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    47    70.00000  112.02700
   33    49    71    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    50.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    47    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    47    48    65.00000  118.96000
   43    47    49    65.00000  116.34900
   47    43    44    80.00000  123.72100
   47    48    51    70.00000  124.00000
   47    48    54    70.00000  124.00000
   47    49    71    70.00000  112.02700
   47    49    50    35.00000  109.50000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    58    70.00000  112.02700
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    64    70.00000  112.02700
   58    60    71    58.35000  112.70000
   58    62    63    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    64    65    65.00000  116.34900
   60    64    67    70.00000  124.00000
   60    71    70    50.00000  109.50000
   60    71    72    37.50000  110.70000
   60    71    49    58.35000  112.70000
   64    60    61    35.00000  109.50000
   64    65    66    80.00000  123.72100
   64    65    70    90.00000  111.29400
   64    67    68    35.00000  120.00000
   64    67    69    35.00000  120.00000
   65    70    71    83.00000  116.90000
   70    65    66    83.00000  123.40000
   70    71    72    35.00000  109.50000
   70    71    49    50.00000  109.50000
   71    60    61    37.50000  110.70000
   71    60    64    70.00000  112.02700
   71    49    50    37.50000  110.70000
   49    33    37    58.35000  112.70000
   49    47    48    70.00000  124.00000
   49    71    72    37.50000  110.70000
   67    64    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  109.50000
   54    48    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    45    46    55.00000  108.50000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
   29    33    49    47  -0.07550 -1.0 2.0
   29    33    49    47   0.20000  1.0 3.0
   29    33    49    71   0.44750  1.0 1.0
   29    33    49    71  -0.17800 -1.0 2.0
   29    33    49    71   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    47   0.65300  1.0 1.0
   33    37   -43    47  -0.03850 -1.0 2.0
   33    37   -43    47   0.33900  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   37    33   -49    47   0.34400  1.0 1.0
   37    33   -49    47   0.09450 -1.0 2.0
   37    33   -49    47   0.11100  1.0 3.0
   37    33    49    71   0.56750  1.0 1.0
   37    33    49    71  -0.07550 -1.0 2.0
   37    33    49    71   0.20000  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    43    47    48  -0.33500  1.0 1.0
   37    43    47    48   1.06600 -1.0 2.0
   37    43    47    48  -0.14000  1.0 3.0
   37    43   -47    49   0.25700  1.0 1.0
   37    43   -47    49   0.66200 -1.0 2.0
   37    43   -47    49   0.04450  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    47   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    47   0.00000  1.0 1.0
   43    47    48    51   7.00000 -1.0 2.0
   43    47    48    54   7.00000 -1.0 2.0
   43    47   -49    33   0.09700  1.0 1.0
   43    47   -49    33   0.15600 -1.0 2.0
   43    47   -49    33  -0.50800  1.0 3.0
   43    47    49    71   0.09700  1.0 1.0
   43    47    49    71   0.15600 -1.0 2.0
   43    47    49    71  -0.50800  1.0 3.0
   43    47    49    50   0.15000  1.0 3.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    49  -0.64400  1.0 1.0
   44    43    47    49   0.26850 -1.0 2.0
   47    48    51    52   0.00000  1.0 1.0
   47    48    51    53   0.00000  1.0 1.0
   47    48    51    58   0.09850  1.0 1.0
   47    48    51    58   0.15250 -1.0 2.0
   47    48    51    58  -0.50650  1.0 3.0
   47    48    54    55   0.00000  1.0 1.0
   47    48    54    56   0.00000  1.0 1.0
   47    48    54    57   0.00000  1.0 1.0
   48    47    49    33   0.09850  1.0 1.0
   48    47    49    33   0.15250 -1.0 2.0
   48    47    49    33  -0.50650  1.0 3.0
   48    47    49    71   0.09850  1.0 1.0
   48    47    49    71   0.15250 -1.0 2.0
   48    47    49    71  -0.50650  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    51    58    59   0.15000  1.0 3.0
   48    51    58    60   0.34400  1.0 1.0
   48    51    58    60   0.09450 -1.0 2.0
   48    51    58    60   0.11100  1.0 3.0
   48    51    58    62   1.05650  1.0 1.0
   48    51    58    62   0.15600 -1.0 2.0
   48    51    58    62   0.53150  1.0 3.0
   51    48    54    55   0.34800  1.0 3.0
   51    48    54    56   0.34800  1.0 3.0
   51    48    54    57   0.34800  1.0 3.0
   51    58    60    61   0.15000  1.0 3.0
   51    58    60    64   0.34400  1.0 1.0
   51    58    60    64   0.09450 -1.0 2.0
   51    58    60    64   0.11100  1.0 3.0
   51    58    60    71   0.56750  1.0 1.0
   51    58    60    71  -0.07550 -1.0 2.0
   51    58    60    71   0.20000  1.0 3.0
   51    58    62    63  -0.11600  1.0 1.0
   51    58    62    63  -0.09450 -1.0 2.0
   51    58    62    63   0.21250  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    62   0.23400  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    62   0.23400  1.0 3.0
   58    60    64    65   0.09700  1.0 1.0
   58    60    64    65   0.15600 -1.0 2.0
   58    60    64    65  -0.50800  1.0 3.0
   58    60    64    67   0.09850  1.0 1.0
   58    60    64    67   0.15250 -1.0 2.0
   58    60    64    67  -0.50650  1.0 3.0
   58    60    71    70   0.62750  1.0 1.0
   58    60    71    70  -0.30950 -1.0 2.0
   58    60    71    70   0.27300  1.0 3.0
   58    60    71    72   0.15000  1.0 3.0
   58    60    71    49   0.56750  1.0 1.0
   58    60    71    49  -0.07550 -1.0 2.0
   58    60    71    49   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    71   0.15000  1.0 3.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.11600  1.0 1.0
   60    58    62    63  -0.09450 -1.0 2.0
   60    58    62    63   0.21250  1.0 3.0
   60    64    65    66  -0.64400  1.0 1.0
   60    64    65    66   0.26850 -1.0 2.0
   60    64   -65    70  -0.15000  1.0 1.0
   60    64   -65    70   0.89550 -1.0 2.0
   60    64   -65    70  -0.06900  1.0 3.0
   60    64    67    68   7.00000 -1.0 2.0
   60    64    67    69   7.00000 -1.0 2.0
   60    71    49    33   0.56750  1.0 1.0
   60    71    49    33  -0.07550 -1.0 2.0
   60    71    49    33   0.20000  1.0 3.0
   60    71    49    47   0.34400  1.0 1.0
   60    71    49    47   0.09450 -1.0 2.0
   60    71    49    47   0.11100  1.0 3.0
   60    71    49    50   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    67   0.00000  1.0 1.0
   61    60    71    70   0.23400  1.0 3.0
   61    60    71    72   0.15000  1.0 3.0
   61    60    71    49   0.15000  1.0 3.0
   64    60   -71    70   0.61850  1.0 1.0
   64    60   -71    70  -0.22750 -1.0 2.0
   64    60   -71    70   0.15300  1.0 3.0
   64    60    71    72   0.15000  1.0 3.0
   64    60    71    49   0.34400  1.0 1.0
   64    60    71    49   0.09450 -1.0 2.0
   64    60    71    49   0.11100  1.0 3.0
   64    65   -70    71   2.00000 -1.0 2.0
   65    64    67    68   7.00000 -1.0 2.0
   65    64    67    69   7.00000 -1.0 2.0
   65    70   -71    60  -0.25900  1.0 1.0
   65    70   -71    60  -0.47000 -1.0 2.0
   65    70   -71    60   0.11750  1.0 3.0
   65    70    71    72   0.08050  1.0 3.0
   65    70    71    49  -0.25900  1.0 1.0
   65    70    71    49  -0.47000 -1.0 2.0
   65    70    71    49   0.11750  1.0 3.0
   66    65    70    71   3.00000 -1.0 2.0
   70    71    49    33   0.62750  1.0 1.0
   70    71    49    33  -0.30950 -1.0 2.0
   70    71    49    33   0.27300  1.0 3.0
   70    71    49    47   0.61850  1.0 1.0
   70    71    49    47  -0.22750 -1.0 2.0
   70    71    49    47   0.15300  1.0 3.0
   70    71    49    50   0.23400  1.0 3.0
   71    60   -64    65   0.09700  1.0 1.0
   71    60   -64    65   0.15600 -1.0 2.0
   71    60   -64    65  -0.50800  1.0 3.0
   71    60    64    67   0.09850  1.0 1.0
   71    60    64    67   0.15250 -1.0 2.0
   71    60    64    67  -0.50650  1.0 3.0
   72    71    49    33   0.15000  1.0 3.0
   72    71    49    47   0.15000  1.0 3.0
   72    71    49    50   0.15000  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    43  -0.95700  1.0 1.0
   49    33   -37    43  -0.18200 -1.0 2.0
   49    33   -37    43   0.29450  1.0 3.0
   49    33    40    41   0.15000  1.0 3.0
   49    33    40    42   0.15000  1.0 3.0
   49    33    40    45   0.86500  1.0 1.0
   49    33    40    45  -0.17500 -1.0 2.0
   49    33    40    45   0.20800  1.0 3.0
   49    47    48    51   7.00000 -1.0 2.0
   49    47    48    54   7.00000 -1.0 2.0
   67    64    65    66   1.00000 -1.0 2.0
   67    64    65    70  -0.56150  1.0 1.0
   67    64    65    70   2.19150 -1.0 2.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    64   1.05650  1.0 1.0
   62    58    60    64   0.15600 -1.0 2.0
   62    58    60    64   0.53150  1.0 3.0
   62    58    60    71   0.86500  1.0 1.0
   62    58    60    71  -0.17500 -1.0 2.0
   62    58    60    71   0.20800  1.0 3.0
   54    48    51    52   0.34800  1.0 3.0
   54    48    51    53   0.34800  1.0 3.0
   54    48    51    58   0.46850  1.0 1.0
   54    48    51    58   0.08550 -1.0 2.0
   54    48    51    58   0.09800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    49    47   0.34400  1.0 1.0
   40    33    49    47   0.09450 -1.0 2.0
   40    33    49    47   0.11100  1.0 3.0
   40    33    49    71   0.56750  1.0 1.0
   40    33    49    71  -0.07550 -1.0 2.0
   40    33    49    71   0.20000  1.0 3.0
   40    33    49    50   0.15000  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   42    40    45    46   0.19450  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    47    43    44  10.50000 -1.0 2.0
   43    49    47    48   1.10000 -1.0 2.0
   51    54    48    47   1.10000 -1.0 2.0
   60    65    64    67   1.10000 -1.0 2.0
   64    70    65    66  10.50000 -1.0 2.0
   68    69    67    64   1.10000 -1.0 2.0
END
