* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    135    215     401
    1     0 S   NP   _N1_     1    28.71995    96.18290   -22.80467
    2     1 S   H    _HN1     2     1.02950    74.76254    18.93321
    3     1 S   H    _H1_     3     1.02829    37.95990   166.51431
    4     1 S   H    _H2_     4     1.02784   100.23775   -87.47221
    5     1 S   CT   _CA1     5     1.50108   142.42899   122.73904
    6     5 S   HC   _HA1     6     1.09572   105.21295    86.31287
    7     5 S   CO3  _C1_     7     1.53790   112.42577   -33.94996
    8     7 S   O2Z  _O11     8     1.26372   115.00829   -43.39508
    9     7 S   O2Z  _O12     9     1.26237   114.94161   135.75211
   10     5 S   CT   _CB1    10     1.53079   107.42373  -155.70369
   11    10 S   HC   HB11    11     1.09832   109.39362   -49.83000
   12    10 S   HC   HB12    12     1.09814   110.43634    66.77459
   13    10 S   CT   _CG1    13     1.52991   112.60343  -170.81718
   14    13 S   HC   HG11    14     1.09585   110.60631   -64.86265
   15    13 S   HC   HG12    15     1.09667   109.82501    54.37646
   16    13 S   C    _CD1    16     1.51795   112.23481   174.83244
   17    16 S   O    _OE1    17     1.22731   123.28891     5.38358
   18    16 S   N    _N2_    18     1.38658   111.66804  -174.75029
   19    18 S   H    _HN2    19     1.01583   118.95407     1.79493
   20    18 S   CT1  _CA2    20     1.46185   123.34931   177.99533
   21    20 S   HC   _HA2    21     1.09739   109.36095     0.89722
   22    20 S   C    _C2_    22     1.53528   108.56936  -114.57119
   23    22 S   O    _O2_    23     1.23055   122.28192  -147.75667
   24    20 S   CT   _CB2    32     1.53475   111.70645   122.85448
   25    24 S   HC   HB21    33     1.09536   109.68749    56.54325
   26    24 S   HC   HB22    34     1.09349   109.74250   175.37069
   27    22 S   N    _N3_    24     1.38331   113.67129    39.66799
   28    27 S   H    _HN3    25     1.01596   119.57641    -3.39119
   29    24 S   S    _SG2    35     1.82972   111.24661   -63.76916
   30    27 S   CT   _CA3    26     1.45291   123.19494   177.09357
   31    30 S   HC   HA31    27     1.09550   107.51163   -64.43376
   32    30 S   HC   HA32    28     1.09557   107.97717    51.99707
   33    29 S   CT   _C16    36     1.86953   102.16225  -168.09789
   34    30 S   CO3  _C3_    29     1.52957   114.09312   173.99103
   35    34 S   O2Z  _O31    30     1.26374   116.06220    -0.74625
   36    34 S   O2Z  _O32    31     1.26428   114.41323   179.31700
   37    33 S   CT   _C11    37     1.55197   110.18471    72.93835
   38    37 S   HC   _H25    38     1.09230   114.03530   -32.31936
   39    37 S   HC   _H26    39     1.09560   111.68387  -156.83199
   40    33 S   CT   _C18    67     1.54076   109.89072   -49.53073
   41    40 S   HC   _H35    68     1.09494   111.05318    70.39078
   42    40 S   HC   _H36    69     1.09452   111.84161   -50.46032
   43    37 S   CO4  _C7_    40     1.50883   103.96223    87.70814
   44    43 S   O    _O16    41     1.22067   123.81612  -177.00834
   45    40 S   OH   _O19    70     1.42439   111.09660  -171.03170
   46    45 S   HO   _H37    71     0.97269   107.08420   178.20441
   47    43 S   CM   _C4_    42     1.50105   110.33100     6.07809
   48    47 S   CM   _C5_    43     1.34760   125.45118  -152.90876
   49    33 S   CT   _C13    58     1.56856   109.98857  -175.46758
   50    49 S   HC   _H29    59     1.10228   106.46342   174.30247
   51    48 S   CT   _C10    44     1.51746   123.55576   171.56404
   52    51 S   HC   _H23    45     1.09918   108.73916   171.98465
   53    51 S   HC   _H24    46     1.09799   108.06099   -75.18645
   54    48 S   CT   _C17    63     1.51138   124.08088    -2.36240
   55    54 S   HC   _H32    64     1.09625   110.04753   129.41324
   56    54 S   HC   _H33    65     1.08992   114.50095    10.45544
   57    54 S   HC   _H34    66     1.09489   109.86934  -111.45961
   58    51 S   CT   _C12    47     1.53039   119.06197    50.87821
   59    58 S   HC   _H27    48     1.09851   108.69495    69.61244
   60    58 S   HC   _H28    49     1.09754   106.66720  -177.40068
   61    58 S   CT   _C14    50     1.52893   117.00925   -53.28414
   62    61 S   HC   _H30    51     1.10011   107.89490   103.91154
   63    61 S   CM   _C6_    52     1.49189   117.51182  -136.50717
   64    63 S   CO4  _C8_    53     1.47826   108.01351   149.82745
   65    64 S   O    _O17    54     1.21729   127.16450   169.12283
   66    63 S   CM   _C9_    60     1.33574   130.39095   -30.02216
   67    66 S   HC   _H21    61     1.08458   121.22931    -0.69774
   68    66 S   HC   _H22    62     1.08537   121.62010   179.81869
   69    64 S   OS   _O18    55     1.36336   106.93870    -9.26540
   70    61 S   CT   _C15    56     1.52550   115.27828   -18.71038
   71    70 S   HC   _H31    57     1.09618   112.08954   -42.05658
  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  13   6   5   4   2   1   1  10   5   4  10   6   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    70    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    61    69    70    71    49    50    40    41    42    45    46  
   35    36  
   36  
    0  
   38    39    43    44    47    48    70    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    70  
   42    45    46    49  
   45    46    49  
   44    47    48    51    70    49    50    54  
   47    48    49  
   46    49  
    0  
   48    51    52    53    58    61    69    70    71    49    50    54    55    56    57  
   51    52    53    58    59    60    61    70    49    50    54    55    56    57  
   50    54    51    58    61    62    63    64    69    70    71  
   61    69    70    71  
   52    53    58    59    60    61    62    63    70    54    55    56    57  
   53    58    59    60    61    54  
   58    59    60    61    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    69    70    71    66  
   60    61    62    63    70  
   61    62    63    70  
   62    63    64    65    69    70    71    66    67    68  
   63    64    69    70    71    66  
   64    65    69    70    71    66    67    68  
   65    69    70    71    66    67    68  
   69    70    66  
   67    68    69    70  
   68  
    0  
   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   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   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   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    70   268.000  1.529
   63    64   320.000  1.462
   63    66   549.000  1.340
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    49   268.000  1.529
   49    50   340.000  1.090
   66    67   340.000  1.080
   66    68   340.000  1.080
   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    70    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    70    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    37.50000  110.70000
   51    58    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    70.00000  112.02700
   58    61    70    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    65.00000  116.34900
   61    63    66    70.00000  124.00000
   61    70    69    50.00000  109.50000
   61    70    71    37.50000  110.70000
   61    70    49    58.35000  112.70000
   63    61    62    35.00000  109.50000
   63    64    65    80.00000  123.72100
   63    64    69    90.00000  111.29400
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   64    69    70    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    70    71    35.00000  109.50000
   69    70    49    50.00000  109.50000
   70    61    62    37.50000  110.70000
   70    61    63    70.00000  112.02700
   70    49    50    37.50000  110.70000
   49    33    37    58.35000  112.70000
   49    47    48    70.00000  124.00000
   49    70    71    37.50000  110.70000
   66    63    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   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    70   0.44750  1.0 1.0
   29    33    49    70  -0.17800 -1.0 2.0
   29    33    49    70   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    70   0.56750  1.0 1.0
   37    33    49    70  -0.07550 -1.0 2.0
   37    33    49    70   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    70   0.09700  1.0 1.0
   43    47    49    70   0.15600 -1.0 2.0
   43    47    49    70  -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    70   0.09850  1.0 1.0
   48    47    49    70   0.15250 -1.0 2.0
   48    47    49    70  -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   0.15000  1.0 3.0
   48    51    58    61   0.34400  1.0 1.0
   48    51    58    61   0.09450 -1.0 2.0
   48    51    58    61   0.11100  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    61    62   0.15000  1.0 3.0
   51    58    61    63   0.34400  1.0 1.0
   51    58    61    63   0.09450 -1.0 2.0
   51    58    61    63   0.11100  1.0 3.0
   51    58    61    70   0.56750  1.0 1.0
   51    58    61    70  -0.07550 -1.0 2.0
   51    58    61    70   0.20000  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    61   0.15000  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    61   0.15000  1.0 3.0
   58    61    63    64   0.09700  1.0 1.0
   58    61    63    64   0.15600 -1.0 2.0
   58    61    63    64  -0.50800  1.0 3.0
   58    61    63    66   0.09850  1.0 1.0
   58    61    63    66   0.15250 -1.0 2.0
   58    61    63    66  -0.50650  1.0 3.0
   58    61    70    69   0.62750  1.0 1.0
   58    61    70    69  -0.30950 -1.0 2.0
   58    61    70    69   0.27300  1.0 3.0
   58    61    70    71   0.15000  1.0 3.0
   58    61    70    49   0.56750  1.0 1.0
   58    61    70    49  -0.07550 -1.0 2.0
   58    61    70    49   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    70   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    70   0.15000  1.0 3.0
   61    63    64    65  -0.64400  1.0 1.0
   61    63    64    65   0.26850 -1.0 2.0
   61    63   -64    69  -0.15000  1.0 1.0
   61    63   -64    69   0.89550 -1.0 2.0
   61    63   -64    69  -0.06900  1.0 3.0
   61    63    66    67   7.00000 -1.0 2.0
   61    63    66    68   7.00000 -1.0 2.0
   61    70    49    33   0.56750  1.0 1.0
   61    70    49    33  -0.07550 -1.0 2.0
   61    70    49    33   0.20000  1.0 3.0
   61    70    49    47   0.34400  1.0 1.0
   61    70    49    47   0.09450 -1.0 2.0
   61    70    49    47   0.11100  1.0 3.0
   61    70    49    50   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.00000  1.0 1.0
   62    61    70    69   0.23400  1.0 3.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    49   0.15000  1.0 3.0
   63    61   -70    69   0.61850  1.0 1.0
   63    61   -70    69  -0.22750 -1.0 2.0
   63    61   -70    69   0.15300  1.0 3.0
   63    61    70    71   0.15000  1.0 3.0
   63    61    70    49   0.34400  1.0 1.0
   63    61    70    49   0.09450 -1.0 2.0
   63    61    70    49   0.11100  1.0 3.0
   63    64   -69    70   2.00000 -1.0 2.0
   64    63    66    67   7.00000 -1.0 2.0
   64    63    66    68   7.00000 -1.0 2.0
   64    69   -70    61  -0.25900  1.0 1.0
   64    69   -70    61  -0.47000 -1.0 2.0
   64    69   -70    61   0.11750  1.0 3.0
   64    69    70    71   0.08050  1.0 3.0
   64    69    70    49  -0.25900  1.0 1.0
   64    69    70    49  -0.47000 -1.0 2.0
   64    69    70    49   0.11750  1.0 3.0
   65    64    69    70   3.00000 -1.0 2.0
   69    70    49    33   0.62750  1.0 1.0
   69    70    49    33  -0.30950 -1.0 2.0
   69    70    49    33   0.27300  1.0 3.0
   69    70    49    47   0.61850  1.0 1.0
   69    70    49    47  -0.22750 -1.0 2.0
   69    70    49    47   0.15300  1.0 3.0
   69    70    49    50   0.23400  1.0 3.0
   70    61   -63    64   0.09700  1.0 1.0
   70    61   -63    64   0.15600 -1.0 2.0
   70    61   -63    64  -0.50800  1.0 3.0
   70    61    63    66   0.09850  1.0 1.0
   70    61    63    66   0.15250 -1.0 2.0
   70    61    63    66  -0.50650  1.0 3.0
   71    70    49    33   0.15000  1.0 3.0
   71    70    49    47   0.15000  1.0 3.0
   71    70    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
   66    63    64    65   1.00000 -1.0 2.0
   66    63    64    69  -0.56150  1.0 1.0
   66    63    64    69   2.19150 -1.0 2.0
   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    70   0.56750  1.0 1.0
   40    33    49    70  -0.07550 -1.0 2.0
   40    33    49    70   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
   61    64    63    66   1.10000 -1.0 2.0
   63    69    64    65  10.50000 -1.0 2.0
   67    68    66    63   1.10000 -1.0 2.0
END
