* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    126    174     355
    1     0 S   NP   _N1_     1    28.05994    96.71120   -22.51760
    2     1 S   H    _HN1     2     1.02958    75.45644    -3.17768
    3     1 S   H    _H1_     3     1.02836    36.49950   146.12468
    4     1 S   H    _H2_     4     1.02776   101.56732  -109.36038
    5     1 S   CT   _CA1     5     1.50136   140.67050   101.37085
    6     5 S   HC   _HA1     6     1.09574   105.21082    85.78336
    7     5 S   CO3  _C1_     7     1.53785   112.34625   -34.41120
    8     7 S   O2Z  _O11     8     1.26369   114.99207   -43.88056
    9     7 S   O2Z  _O12     9     1.26232   114.93226   135.17386
   10     5 S   CT   _CB1    10     1.53091   107.42050  -156.29496
   11    10 S   HC   HB11    11     1.09829   109.34362   -50.25073
   12    10 S   HC   HB12    12     1.09815   110.42334    66.30798
   13    10 S   CT   _CG1    13     1.53023   112.67709  -171.30146
   14    13 S   HC   HG11    14     1.09592   110.51760   -64.47497
   15    13 S   HC   HG12    15     1.09657   109.90247    54.73578
   16    13 S   C    _CD1    16     1.51843   112.28011   175.12372
   17    16 S   O    _OE1    17     1.22756   123.28130     1.56548
   18    16 S   N    _N2_    18     1.38547   111.74126  -178.53901
   19    18 S   H    _HN2    19     1.01573   119.05787     4.41956
   20    18 S   CT1  _CA2    20     1.45850   122.86467   177.86064
   21    20 S   HC   _HA2    21     1.09716   108.97259    24.02757
   22    20 S   C    _C2_    22     1.52893   106.83061   -93.22663
   23    22 S   O    _O2_    23     1.22994   122.95038   -29.42212
   24    20 S   CT   _CB2    32     1.53229   112.20638   147.25847
   25    24 S   HC   HB21    33     1.09443   109.54209    54.95941
   26    24 S   HC   HB22    34     1.09432   109.68665   173.74229
   27    22 S   N    _N3_    24     1.38471   112.65407   153.29254
   28    27 S   H    _HN3    25     1.01653   120.40124    -1.27242
   29    24 S   S    _SG2    35     1.82976   110.83853   -65.99902
   30    27 S   CT   _CA3    26     1.45353   122.41718   178.52051
   31    30 S   HC   HA31    27     1.09568   107.52492   -62.48695
   32    30 S   HC   HA32    28     1.09571   107.87592    53.82982
   33    29 S   CT   _C11    36     1.86210   101.53281   176.10620
   34    30 S   CO3  _C3_    29     1.52886   114.39792   175.86327
   35    34 S   O2Z  _O31    30     1.26327   116.09126     0.79574
   36    34 S   O2Z  _O32    31     1.26453   114.39477  -179.15073
   37    33 S   CM   _C7_    37     1.52682   110.62126    59.69252
   38    33 S   CT   _C14    68     1.54114   107.15289  -178.28400
   39    38 S   HC   _H27    69     1.09724   112.25365    63.63160
   40    38 S   HC   _H28    70     1.09453   112.67261   -56.74665
   41    38 S   HC   _H29    71     1.09711   110.69620  -177.58232
   42    37 S   CMA  _C4_    38     1.36233   123.04997  -112.22639
   43    42 S   OM   _O15    39     1.26440   129.35294  -179.13974
   44    37 S   CT   _C17    54     1.53641   117.13361    66.99980
   45    44 S   HC   _H36    55     1.09804   109.83125  -144.49615
   46    44 S   HC   _H37    56     1.09188   109.83834   -30.49054
   47    42 S   CM   _C5_    40     1.48076   118.83373     0.22381
   48    44 S   CM   _C9_    57     1.50804   112.69635    95.47512
   49    48 S   HC   _H20    58     1.09015   114.18289    51.42163
   50    47 S   CM   _C6_    41     1.34352   123.69079    -9.56781
   51    47 S   OS   _O17    49     1.39910   117.35072   175.32890
   52    48 S   CM   _C10    59     1.34735   128.33566  -129.77207
   53    33 S   CO4  _C8_    42     1.53509   106.60635   -64.90367
   54    53 S   O    _O16    43     1.23385   121.95644   -63.63459
   55    50 S   OS   _O18    44     1.38429   121.97447  -177.33942
   56    51 S   CT   _C15    50     1.42917   110.64989   -97.53310
   57    56 S   HC   _H30    51     1.09391   107.82227   176.21757
   58    56 S   HC   _H31    52     1.09543   111.49894    57.63408
   59    56 S   HC   _H32    53     1.09495   111.10872   -65.53577
   60    52 S   CT   _C12    60     1.50625   120.26897   179.86730
   61    60 S   HC   _H21    61     1.09496   110.26524   119.60308
   62    60 S   HC   _H22    62     1.09510   112.46985    -0.54536
   63    60 S   HC   _H23    63     1.09501   110.19950  -120.59259
   64    52 S   CT   _C13    64     1.50256   125.56333    -0.42244
   65    64 S   HC   _H24    65     1.09508   110.02228   117.62357
   66    64 S   HC   _H25    66     1.09531   110.02049  -123.17378
   67    64 S   HC   _H26    67     1.09142   113.76717    -3.10324
   68    55 S   CT   _C16    45     1.42609   110.26564    99.09898
   69    68 S   HC   _H33    46     1.09394   107.91372  -179.43386
   70    68 S   HC   _H34    47     1.09505   111.38277    62.05616
   71    68 S   HC   _H35    48     1.09554   110.97684   -61.14801
  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  11   5   4   3
  16   2   1   1  17   8   3   2   1  11   4   9   4   3  10  10
   3   9   6   8   3   1   4   3   2   1   1   7   3   2   1   3
   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    50    53    54    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    50    53    54    55    44    45    46    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    50    53    54    51    44    45    46    48    49    52    38    39    40    41  
   39    40    41    42    44    50    53    54  
   40    41    53  
   41    53  
   53  
   43    47    50    53    55    51    56    44    45    46    48  
   47    50    51    44  
   45    46    48    49    52    60    64    47    53  
   46    48    49    52  
   48    49    52  
   50    53    54    55    68    51    56    57    58    59  
   49    52    60    61    62    63    64    65    66    67  
   52    60    64  
   53    54    55    68    69    70    71    51    56  
   56    57    58    59    53    55  
   60    61    62    63    64    65    66    67  
   54    55    68  
   55  
   68    69    70    71  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   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    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   317.000  1.510
   33    53   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   465.000  1.376
   47    50   549.000  1.340
   47    51   440.000  1.360
   50    53   320.000  1.462
   50    55   440.000  1.360
   53    54   570.000  1.229
   55    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   51    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.510
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    60   317.000  1.510
   52    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    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  112.20000
   29    33    53    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    53    50    65.00000  118.62400
   33    53    54    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    70.00000  123.01800
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    48    70.00000  110.12100
   42    47    50    70.00000  117.34000
   42    47    51    80.00000  120.01400
   47    42    43    65.00000  137.10300
   47    50    53    65.00000  118.96000
   47    50    55    80.00000  120.01400
   47    51    56    90.00000  111.18400
   50    53    54    80.00000  123.72100
   50    55    68    90.00000  111.18400
   53    33    37    70.00000  109.06800
   55    50    53    85.00000  116.28000
   55    68    69    35.00000  109.50000
   55    68    70    35.00000  109.50000
   55    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   51    47    50    80.00000  120.01400
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    49    35.00000  117.00000
   44    48    52    70.00000  124.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    52    60    70.00000  124.00000
   48    52    64    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    60    61    35.00000  109.50000
   52    60    62    35.00000  109.50000
   52    60    63    35.00000  109.50000
   52    64    65    35.00000  109.50000
   52    64    66    35.00000  109.50000
   52    64    67    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    52    60    65.00000  117.92700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    53    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    53    50   0.65300  1.0 1.0
   29    33    53    50  -0.03850 -1.0 2.0
   29    33    53    50   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    48   0.09700  1.0 1.0
   33    37    44    48   0.15600 -1.0 2.0
   33    37    44    48  -0.50800  1.0 3.0
   37    33    53    50   0.65300  1.0 1.0
   37    33    53    50  -0.03850 -1.0 2.0
   37    33    53    50   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -47    50   7.00000 -1.0 2.0
   37    42    47    51   7.00000 -1.0 2.0
   37    44    48    49   0.00000  1.0 1.0
   37    44    48    52  -0.28300  1.0 1.0
   37    44    48    52   0.26700 -1.0 2.0
   37    44    48    52  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    48  -0.28300  1.0 1.0
   42    37    44    48   0.26700 -1.0 2.0
   42    37    44    48  -0.63300  1.0 3.0
   42    47    50    53   7.00000 -1.0 2.0
   42    47    50    55   7.00000 -1.0 2.0
   42    47    51    56  -2.26850  1.0 1.0
   42    47    51    56   3.39050 -1.0 2.0
   43    42    47    50   7.00000 -1.0 2.0
   43    42    47    51   7.00000 -1.0 2.0
   47    50   -53    33  -0.33500  1.0 1.0
   47    50   -53    33   1.06600 -1.0 2.0
   47    50   -53    33  -0.14000  1.0 3.0
   47    50    53    54   1.00000 -1.0 2.0
   47    50    55    68  -2.26850  1.0 1.0
   47    50    55    68   3.39050 -1.0 2.0
   47    51    56    57   0.08050  1.0 3.0
   47    51    56    58   0.08050  1.0 3.0
   47    51    56    59   0.08050  1.0 3.0
   50    47    51    56  -2.26850  1.0 1.0
   50    47    51    56   3.39050 -1.0 2.0
   50    55    68    69   0.08050  1.0 3.0
   50    55    68    70   0.08050  1.0 3.0
   50    55    68    71   0.08050  1.0 3.0
   53    33   -37    42  -0.51250  1.0 1.0
   53    33   -37    42  -0.88800 -1.0 2.0
   53    33   -37    42   0.08850  1.0 3.0
   53    33    37    44   0.17250  1.0 1.0
   53    33    37    44  -0.04100 -1.0 2.0
   53    33    37    44  -0.33850  1.0 3.0
   53    33    38    39  -0.11250  1.0 3.0
   53    33    38    40  -0.11250  1.0 3.0
   53    33    38    41  -0.11250  1.0 3.0
   53    50    55    68   0.15100 -1.0 2.0
   55    50    53    33   0.32450 -1.0 2.0
   55    50    53    33   0.17400  1.0 3.0
   55    50    53    54  -0.11900  1.0 1.0
   55    50    53    54   0.76850 -1.0 2.0
   55    50    53    54   0.14100  1.0 3.0
   51    47    50    53   7.00000 -1.0 2.0
   51    47    50    55   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    48    52    60   7.00000 -1.0 2.0
   44    48    52    64   7.00000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    52   0.00000  1.0 1.0
   46    44    48    49   0.33100  1.0 3.0
   46    44    48    52   0.00000  1.0 1.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    62   0.00000  1.0 1.0
   48    52    60    63   0.00000  1.0 1.0
   48    52    64    65   0.00000  1.0 1.0
   48    52    64    66   0.00000  1.0 1.0
   48    52    64    67   0.00000  1.0 1.0
   49    48    52    60   7.00000 -1.0 2.0
   49    48    52    64   7.00000 -1.0 2.0
   60    52    64    65   0.34800  1.0 3.0
   60    52    64    66   0.34800  1.0 3.0
   60    52    64    67   0.34800  1.0 3.0
   64    52    60    61   0.34800  1.0 3.0
   64    52    60    62   0.34800  1.0 3.0
   64    52    60    63   0.34800  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    53    50   0.65300  1.0 1.0
   38    33    53    50  -0.03850 -1.0 2.0
   38    33    53    50   0.33900  1.0 3.0
   38    33    53    54   0.30150 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   42    51    47    50   1.10000 -1.0 2.0
   53    55    50    47   1.10000 -1.0 2.0
   33    50    53    54  10.50000 -1.0 2.0
   44    49    48    52  15.00000 -1.0 2.0
   60    64    52    48  15.00000 -1.0 2.0
END
