* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    132    204     385
    1     0 S   NP   _N1_     1    28.51864    95.11032   -22.16286
    2     1 S   H    _HN1     2     1.02778    95.53068   -82.30595
    3     1 S   H    _H1_     3     1.02960    83.42774    25.56643
    4     1 S   H    _H2_     4     1.02836    32.40437   162.62339
    5     1 S   CT   _CA1     5     1.50123   141.64087   140.35887
    6     5 S   HC   _HA1     6     1.09576   105.22430    71.66623
    7     5 S   CO3  _C1_     7     1.53773   112.39551   -48.52571
    8     7 S   O2Z  _O11     8     1.26357   114.99727   -43.77395
    9     7 S   O2Z  _O12     9     1.26238   114.91515   135.38933
   10     5 S   CT   _CB1    10     1.53094   107.42622  -170.44474
   11    10 S   HC   HB11    11     1.09826   109.28908   -50.98544
   12    10 S   HC   HB12    12     1.09818   110.43072    65.54856
   13    10 S   CT   _CG1    13     1.53016   112.69763  -172.09639
   14    13 S   HC   HG11    14     1.09596   110.45450   -64.51865
   15    13 S   HC   HG12    15     1.09656   109.96241    54.70422
   16    13 S   C    _CD1    16     1.51826   112.32137   175.02657
   17    16 S   O    _OE1    17     1.22722   123.24909    -1.20333
   18    16 S   N    _N2_    18     1.38621   111.64380   179.08144
   19    18 S   H    _HN2    19     1.01576   119.02839     1.25211
   20    18 S   CT1  _CA2    20     1.46212   123.42793   179.43977
   21    20 S   HC   _HA2    21     1.09728   109.48718    -3.29527
   22    20 S   C    _C2_    22     1.53532   108.18459  -118.98283
   23    22 S   O    _O2_    23     1.23022   122.30680  -143.57627
   24    20 S   CT   _CB2    32     1.53462   111.61725   118.81981
   25    24 S   HC   HB21    33     1.09415   109.29075    56.92476
   26    24 S   HC   HB22    34     1.09377   109.35699   175.77043
   27    22 S   N    _N3_    24     1.38523   113.42852    43.51446
   28    27 S   H    _HN3    25     1.01497   118.96020    -0.32805
   29    24 S   S    _SG2    35     1.83043   111.55252   -64.01763
   30    27 S   CT   _CA3    26     1.45451   123.48611   175.48963
   31    30 S   HC   HA31    27     1.09519   109.34305    22.53807
   32    30 S   HC   HA32    28     1.09501   107.09192   139.53952
   33    29 S   CT   _C15    36     1.85996   101.99568  -179.80021
   34    30 S   CO3  _C3_    29     1.52909   113.05183  -101.02586
   35    34 S   O2Z  _O31    30     1.26408   115.37011   -45.41202
   36    34 S   O2Z  _O32    31     1.26352   115.00808   135.54780
   37    33 S   CO4  _C11    37     1.51861   107.81913   -63.84770
   38    37 S   O    _O18    38     1.23073   122.06586   -71.46317
   39    33 S   CM   _C12    50     1.50584   110.42853    60.90195
   40    37 S   CA   _C7_    39     1.47685   118.43398   106.08742
   41    39 S   OS   _O19    51     1.40030   114.53928    69.02256
   42    40 S   CA   _C5_    40     1.40930   116.86979  -169.23768
   43    42 S   HA   _H23    41     1.08758   121.12215    -2.89063
   44    41 S   CT   _C16    52     1.43730   115.27964    57.38400
   45    42 S   CA   _C4_    42     1.38756   120.65816   176.49675
   46    45 S   HA   _H22    43     1.08549   120.39380   179.70326
   47    44 S   CT   _C14    53     1.53392   110.71063   -56.21636
   48    47 S   HC   _H27    54     1.09730   109.73445   -68.71682
   49    47 S   HC   _H28    55     1.09667   110.86632   174.01945
   50    44 S   CT   _C17    59     1.53772   110.57552    69.00265
   51    50 S   HC   _H29    60     1.09615   110.65407    55.10117
   52    50 S   HC   _H30    61     1.09460   112.20954   -63.36348
   53    50 S   HC   _H31    62     1.09520   111.31800   175.64904
   54    44 S   CT   _C18    63     1.53587   105.79213  -174.08732
   55    54 S   HC   _H32    64     1.09628   110.85320   -59.46815
   56    54 S   HC   _H33    65     1.09501   111.72288   179.39510
   57    54 S   HC   _H34    66     1.09627   110.88555    58.24998
   58    45 S   CA   _C6_    44     1.38429   119.18111    -1.31462
   59    58 S   HA   _H24    45     1.08691   119.58495  -179.14476
   60    33 S   CT   _C13    56     1.54752   108.57488  -178.87360
   61    60 S   HC   _H25    57     1.09930   109.45379   165.43524
   62    60 S   HC   _H26    58     1.09862   111.41513    49.72010
   63    58 S   CA   _C9_    46     1.40470   120.15935     0.44762
   64    40 S   CA   _C8_    47     1.40732   120.98606     8.12953
   65    63 S   OS   _O20    67     1.37779   115.40574  -179.21167
   66    64 S   CMA  _C10    48     1.52463   121.54615     6.91563
   67    66 S   OM   _O17    49     1.26885   120.31691   167.63469
   68    65 S   CT   _C19    68     1.42971   110.08361    83.96711
   69    68 S   HC   _H35    69     1.09407   107.78448   171.13488
   70    68 S   HC   _H36    70     1.09604   111.76259    52.53445
   71    68 S   HC   _H37    71     1.09515   110.84081   -70.87089
  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  14   5  13  11  16   8   4  15   6   3  13   6
   5   8   3   2   1   4   2   1   1   6   3   3   1   1   8   4
   5   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    39    60    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    66    39    41    47    60    61    62  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    42    64    66    67    39    41    44    47    48    49    60    61    62  
   35    36  
   36  
    0  
   38    40    42    43    45    63    64    66    39    41    47    60    61    62  
   40    42    64    39    60  
   41    44    47    60    61    62    50    54    40    63    64    66    67  
   42    43    45    46    58    63    64    66    67    60    65  
   44    47    48    49    60    50    51    52    53    54    55    56    57    64    66    67  
   43    45    46    58    59    63    64    66  
   45    46    58    64  
   47    48    49    60    61    62    50    51    52    53    54    55    56    57    66  
   46    58    59    63    64    65  
   58    59    63  
   48    49    60    61    62    50    51    52    53    54    55    56    57  
   49    60    61    62    50    54  
   60    61    62    50    54  
   51    52    53    54    55    56    57    60  
   52    53    54  
   53    54  
   54  
   55    56    57    60  
   56    57  
   57  
    0  
   59    63    64    66    65    68  
   63    64    65  
   61    62    66  
   62  
    0  
   64    66    67    65    68    69    70    71  
   66    67    65    68  
   68    69    70    71    66  
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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  1.522
   33    39   317.000  1.510
   33    60   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    42   469.000  1.400
   40    64   469.000  1.400
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    46   367.000  1.080
   45    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   469.000  1.400
   63    65   450.000  1.364
   64    66   320.000  1.460
   66    67   745.000  1.250
   66    39   465.000  1.376
   39    41   440.000  1.360
   41    44   320.000  1.410
   44    47   268.000  1.529
   44    50   268.000  1.529
   44    54   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    60    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    66    70.00000  124.00000
   33    39    41    85.00000  112.85300
   33    60    47    58.35000  112.70000
   33    60    61    37.50000  110.70000
   33    60    62    37.50000  110.70000
   37    40    42    60.00000  119.52600
   37    40    64    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    42    43    35.00000  120.00000
   40    42    45    63.00000  120.00000
   40    64    63    63.00000  120.00000
   40    64    66    60.00000  120.93500
   42    45    46    35.00000  120.00000
   42    45    58    63.00000  120.00000
   45    42    43    35.00000  120.00000
   45    58    59    35.00000  120.00000
   45    58    63    63.00000  120.00000
   58    45    46    35.00000  120.00000
   58    63    64    63.00000  120.00000
   58    63    65    70.00000  120.00000
   63    58    59    35.00000  120.00000
   63    64    66    60.00000  120.93500
   63    65    68    75.00000  111.00000
   64    40    42    63.00000  120.00000
   64    66    67    85.00000  114.86500
   64    66    39    60.00000  123.20500
   66    39    41    80.00000  120.01400
   39    33    37    70.00000  109.06800
   39    66    67    65.00000  137.10300
   39    41    44    90.00000  111.18400
   41    44    47    50.00000  109.50000
   41    44    50    50.00000  109.50000
   41    44    54    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    60    58.35000  112.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   44    54    55    37.50000  110.70000
   44    54    56    37.50000  110.70000
   44    54    57    37.50000  110.70000
   47    60    61    37.50000  110.70000
   47    60    62    37.50000  110.70000
   49    47    48    33.00000  107.80000
   60    33    37    63.00000  111.10000
   60    33    39    70.00000  112.02700
   60    47    48    37.50000  110.70000
   60    47    49    37.50000  110.70000
   62    60    61    33.00000  107.80000
   50    44    47    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    44    47    58.35000  112.70000
   54    44    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    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
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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    66   0.42700  1.0 1.0
   29    33    39    66  -0.70350 -1.0 2.0
   29    33    39    66  -0.43150  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    60    47   0.44750  1.0 1.0
   29    33    60    47  -0.17800 -1.0 2.0
   29    33    60    47   0.20200  1.0 3.0
   29    33    60    61   0.15000  1.0 3.0
   29    33    60    62   0.15000  1.0 3.0
   33    37    40    42   2.26350  1.0 1.0
   33    37    40    42   0.76750 -1.0 2.0
   33    37    40    42   0.22500  1.0 3.0
   33    37    40    64   2.26350  1.0 1.0
   33    37    40    64   0.76750 -1.0 2.0
   33    37    40    64   0.22500  1.0 3.0
   33    39    41    44   2.00000 -1.0 2.0
   37    33    39    66  -0.51250  1.0 1.0
   37    33    39    66  -0.88800 -1.0 2.0
   37    33    39    66   0.08850  1.0 3.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  1.0 3.0
   37    33    60    47  -0.95700  1.0 1.0
   37    33    60    47  -0.18200 -1.0 2.0
   37    33    60    47   0.29450  1.0 3.0
   37    33    60    61  -0.11250  1.0 3.0
   37    33    60    62  -0.11250  1.0 3.0
   37    40    42    43   3.62500 -1.0 2.0
   37    40    42    45   3.62500 -1.0 2.0
   37    40    64    63   3.62500 -1.0 2.0
   37    40   -64    66   3.62500 -1.0 2.0
   38    37    40    42   1.05000 -1.0 2.0
   38    37    40    64   1.05000 -1.0 2.0
   40    42    45    46   3.62500 -1.0 2.0
   40    42    45    58   3.62500 -1.0 2.0
   40    64    66    67  -0.01750  1.0 1.0
   40    64    66    67  -0.32000 -1.0 2.0
   40    64    66    67   0.00600  1.0 3.0
   40    64    66    39   0.15800  1.0 1.0
   40    64    66    39   1.85350 -1.0 2.0
   40    64    66    39  -0.48700  1.0 3.0
   42    40    64    63   3.62500 -1.0 2.0
   42    40    64    66   3.62500 -1.0 2.0
   42    45    58    59   3.62500 -1.0 2.0
   42    45   -58    63   3.62500 -1.0 2.0
   43    42    45    46   3.62500 -1.0 2.0
   43    42    45    58   3.62500 -1.0 2.0
   45    58    63    64   3.62500 -1.0 2.0
   45    58    63    65   3.62500 -1.0 2.0
   46    45    58    59   3.62500 -1.0 2.0
   46    45    58    63   3.62500 -1.0 2.0
   58    63   -64    40   3.62500 -1.0 2.0
   58    63    64    66   3.62500 -1.0 2.0
   58    63    65    68   1.63200 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    65   3.62500 -1.0 2.0
   63    64    66    67  -0.01750  1.0 1.0
   63    64    66    67  -0.32000 -1.0 2.0
   63    64    66    67   0.00600  1.0 3.0
   63    64    66    39   0.15800  1.0 1.0
   63    64    66    39   1.85350 -1.0 2.0
   63    64    66    39  -0.48700  1.0 3.0
   63    65    68    69   0.08050  1.0 3.0
   63    65    68    70   0.08050  1.0 3.0
   63    65    68    71   0.08050  1.0 3.0
   64    40    42    43   3.62500 -1.0 2.0
   64    40   -42    45   3.62500 -1.0 2.0
   64    63    65    68   1.63200 -1.0 2.0
   64    66   -39    33   7.00000 -1.0 2.0
   64    66    39    41   7.00000 -1.0 2.0
   66    39    41    44  -2.26850  1.0 1.0
   66    39    41    44   3.39050 -1.0 2.0
   67    66    39    33   7.00000 -1.0 2.0
   67    66    39    41   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    40   0.65300  1.0 1.0
   39    33   -37    40  -0.03850 -1.0 2.0
   39    33   -37    40   0.33900  1.0 3.0
   39    33    60    47   0.34400  1.0 1.0
   39    33    60    47   0.09450 -1.0 2.0
   39    33    60    47   0.11100  1.0 3.0
   39    33    60    61   0.15000  1.0 3.0
   39    33    60    62   0.15000  1.0 3.0
   39    41   -44    47  -0.46850  1.0 1.0
   39    41   -44    47   0.09300 -1.0 2.0
   39    41   -44    47  -0.12850  1.0 3.0
   39    41    44    50  -0.46850  1.0 1.0
   39    41    44    50   0.09300 -1.0 2.0
   39    41    44    50  -0.12850  1.0 3.0
   39    41    44    54  -0.46850  1.0 1.0
   39    41    44    54   0.09300 -1.0 2.0
   39    41    44    54  -0.12850  1.0 3.0
   41    44    47    48   0.23400  1.0 3.0
   41    44    47    49   0.23400  1.0 3.0
   41    44    47    60   0.62750  1.0 1.0
   41    44    47    60  -0.30950 -1.0 2.0
   41    44    47    60   0.27300  1.0 3.0
   41    44    50    51   0.23400  1.0 3.0
   41    44    50    52   0.23400  1.0 3.0
   41    44    50    53   0.23400  1.0 3.0
   41    44    54    55   0.23400  1.0 3.0
   41    44    54    56   0.23400  1.0 3.0
   41    44    54    57   0.23400  1.0 3.0
   44    47   -60    33   0.56750  1.0 1.0
   44    47   -60    33  -0.07550 -1.0 2.0
   44    47   -60    33   0.20000  1.0 3.0
   44    47    60    61   0.15000  1.0 3.0
   44    47    60    62   0.15000  1.0 3.0
   47    44    50    51   0.15000  1.0 3.0
   47    44    50    52   0.15000  1.0 3.0
   47    44    50    53   0.15000  1.0 3.0
   47    44    54    55   0.15000  1.0 3.0
   47    44    54    56   0.15000  1.0 3.0
   47    44    54    57   0.15000  1.0 3.0
   48    47    60    33   0.15000  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    62   0.15000  1.0 3.0
   49    47    60    33   0.15000  1.0 3.0
   49    47    60    61   0.15000  1.0 3.0
   49    47    60    62   0.15000  1.0 3.0
   60    33    37    38   0.30150 -1.0 2.0
   60    33    37    40   0.05850 -1.0 2.0
   60    33    37    40   0.17250  1.0 3.0
   60    33    39    66   0.09850  1.0 1.0
   60    33    39    66   0.15250 -1.0 2.0
   60    33    39    66  -0.50650  1.0 3.0
   60    33   -39    41   0.09700  1.0 1.0
   60    33   -39    41   0.15600 -1.0 2.0
   60    33   -39    41  -0.50800  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    60   0.56750  1.0 1.0
   50    44    47    60  -0.07550 -1.0 2.0
   50    44    47    60   0.20000  1.0 3.0
   50    44    54    55   0.15000  1.0 3.0
   50    44    54    56   0.15000  1.0 3.0
   50    44    54    57   0.15000  1.0 3.0
   54    44    47    48   0.15000  1.0 3.0
   54    44    47    49   0.15000  1.0 3.0
   54    44    47    60   0.56750  1.0 1.0
   54    44    47    60  -0.07550 -1.0 2.0
   54    44    47    60   0.20000  1.0 3.0
   54    44    50    51   0.15000  1.0 3.0
   54    44    50    52   0.15000  1.0 3.0
   54    44    50    53   0.15000  1.0 3.0
   65    63    64    40   3.62500 -1.0 2.0
   65    63    64    66   3.62500 -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    40    37    38  10.50000 -1.0 2.0
   42    64    40    37   4.00000 -1.0 2.0
   45    43    42    40   1.10000 -1.0 2.0
   58    46    45    42   1.10000 -1.0 2.0
   63    59    58    45   1.10000 -1.0 2.0
   64    65    63    58   4.00000 -1.0 2.0
   63    66    64    40   4.00000 -1.0 2.0
   64    67    66    39   1.10000 -1.0 2.0
   33    41    39    66   1.10000 -1.0 2.0
END
