* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    216     418
    1     0 S   NP   _N1_     1    28.78242    93.73484   -21.32896
    2     1 S   H    _HN1     2     1.02836    25.14890   148.27707
    3     1 S   H    _H1_     3     1.02777    91.46331   -79.76709
    4     1 S   H    _H2_     4     1.02957    95.43250    28.78295
    5     1 S   CT   _CA1     5     1.50136   135.74626   155.62118
    6     5 S   HC   _HA1     6     1.09578   105.22421    55.97049
    7     5 S   CO3  _C1_     7     1.53809   112.17928   -64.17942
    8     7 S   O2Z  _O11     8     1.26365   115.00111   -47.80829
    9     7 S   O2Z  _O12     9     1.26233   114.87308   131.04997
   10     5 S   CT   _CB1    10     1.53070   107.38993   173.76366
   11    10 S   HC   HB11    11     1.09825   109.34981   -50.76603
   12    10 S   HC   HB12    12     1.09820   110.44326    65.78454
   13    10 S   CT   _CG1    13     1.53006   112.65362  -171.85994
   14    13 S   HC   HG11    14     1.09549   110.36795   -62.47334
   15    13 S   HC   HG12    15     1.09641   110.06713    56.70007
   16    13 S   C    _CD1    16     1.51823   112.17787   176.92993
   17    16 S   O    _OE1    17     1.22746   123.19139    -5.75820
   18    16 S   N    _N2_    18     1.38623   111.77026   174.65775
   19    18 S   H    _HN2    19     1.01600   119.01086     0.56371
   20    18 S   CT1  _CA2    20     1.46285   123.31246  -179.04653
   21    20 S   HC   _HA2    21     1.09735   109.37347   -10.57622
   22    20 S   C    _C2_    22     1.53420   108.52587  -126.30237
   23    22 S   O    _O2_    23     1.23024   122.16453  -146.74489
   24    20 S   CT   _CB2    32     1.53564   111.37002   111.42122
   25    24 S   HC   HB21    33     1.09230   109.13621    58.07374
   26    24 S   HC   HB22    34     1.09506   110.14388   176.21100
   27    22 S   N    _N3_    24     1.38483   113.42972    40.65149
   28    27 S   H    _HN3    25     1.01527   118.89838    -0.83228
   29    24 S   S    _SG2    35     1.82956   111.10360   -64.81752
   30    27 S   CT   _CA3    26     1.45457   123.55384   175.15447
   31    30 S   HC   HA31    27     1.09516   109.35917    21.87504
   32    30 S   HC   HA32    28     1.09500   107.09028   138.89329
   33    29 S   CT   _C14    36     1.90078   103.24531   154.91911
   34    30 S   CO3  _C3_    29     1.52918   113.03585  -101.69119
   35    34 S   O2Z  _O31    30     1.26408   115.37626   -45.16051
   36    34 S   O2Z  _O32    31     1.26351   115.00351   135.75838
   37    33 S   CT   _C10    37     1.53941   107.66318   -67.07572
   38    37 S   HC   _H24    38     1.09546   111.58782   176.76923
   39    37 S   HC   _H25    39     1.09378   112.29127    58.78973
   40    33 S   CT   _C11    55     1.54774   108.46512    53.43434
   41    40 S   HC   _H26    56     1.09600   111.30984   -57.20499
   42    40 S   HC   _H27    57     1.09703   109.99622  -172.08922
   43    37 S   CO4  _C5_    40     1.51429   111.17733   -63.04124
   44    43 S   O    _O16    41     1.23138   120.95803   135.46622
   45    43 S   CT   _C9_    42     1.51336   117.56972   -50.02262
   46    45 S   HC   _H22    43     1.09700   107.89175   165.22244
   47    45 S   HC   _H23    44     1.09551   107.51138   -79.56349
   48    45 S   CT   _C12    45     1.54175   113.46440    44.14920
   49    48 S   HC   _H28    46     1.09673   107.31729    72.78954
   50    33 S   CT   _C13    47     1.59657   110.39509   173.80046
   51    48 S   CT   _C17    71     1.53631   108.52621  -174.27799
   52    51 S   HC   _H35    72     1.09392   112.17178    62.60600
   53    51 S   HC   _H36    73     1.09623   110.12239   -56.59479
   54    51 S   HC   _H37    74     1.09315   111.76656  -175.15087
   55    50 S   CT   _C8_    48     1.56490   109.12416   -64.34909
   56    55 S   HC   _H20    49     1.09183   108.21337  -178.94966
   57    55 S   HC   _H21    50     1.09626   111.06031    65.86433
   58    50 S   CT   _C18    67     1.56449   111.76608   178.07613
   59    58 S   HC   _H38    68     1.09282   112.79635   -67.32428
   60    58 S   HC   _H39    69     1.09587   111.02018   172.67496
   61    58 S   HC   _H40    70     1.09316   112.90329    53.87879
   62    55 S   CM   _C4_    51     1.52793   112.42023   -56.02737
   63    62 S   CT   _C7_    52     1.51769   112.54520    54.84408
   64    63 S   HC   _H18    53     1.09666   108.04631    69.92279
   65    63 S   HC   _H19    54     1.09177   113.18838  -174.53420
   66    62 S   CM   _C6_    58     1.35710   123.46108  -124.69125
   67    66 S   CT   _C15    59     1.51092   123.56314    -4.98016
   68    67 S   HC   _H29    60     1.09440   110.20879    93.21828
   69    67 S   HC   _H30    61     1.09628   110.43030  -147.42287
   70    67 S   HC   _H31    62     1.09276   113.14240   -29.47789
   71    66 S   CT   _C16    63     1.50987   124.48406   175.23408
   72    71 S   HC   _H32    64     1.09463   110.10086   101.75689
   73    71 S   HC   _H33    65     1.09635   110.00389  -139.14176
   74    71 S   HC   _H34    66     1.09098   114.05176   -20.72446
  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
  24   2   1   1  15   6   5  12   6   5   8   4  11   5   4  14
   7  14   5   2   1   1  13   5   4   4   2   1   1  12   5   2
   1   8   7   3   2   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    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    50    55    63    40    41    42    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    55    56    57    62    63    64    65    40    41    42    58    59    60    61    51  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    50    55    63    40    41    42    58  
   39    43    44    45    50    40  
   43    44    45    50    40  
   41    42    66    58    43    48    50    55    62    63    64    65  
   42    50    62    63    64    65  
   50    62    63    64    65  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    55    58    51    52    53    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    55    56    57    62    58    59    60    61    51    52    53    54  
   50    55    58    51    52    53    54  
   55    56    57    62    63    66    58    59    60    61    51    52    53    54  
   52    53    54    55    58  
   53    54  
   54  
    0  
   56    57    62    63    64    65    66    67    71    58    59    60    61  
   57    62    63    66    58  
   62    63    66    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72    73    74  
   64    65    66    67    71  
   65    66  
   66  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   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   268.000  1.529
   33    50   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    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   268.000  1.529
   50    55   268.000  1.529
   50    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   317.000  1.510
   62    63   317.000  1.510
   62    66   549.000  1.340
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   66    67   317.000  1.510
   66    71   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  111.63000
   29    33    50    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    50    48    58.35000  112.70000
   33    50    55    58.35000  112.70000
   33    50    58    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    50    58    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   50    33    37    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    62    70.00000  112.02700
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   55    62    63    65.00000  117.92700
   55    62    66    70.00000  124.00000
   57    55    56    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    57    35.00000  109.50000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    40    70.00000  112.02700
   62    66    67    70.00000  124.00000
   62    66    71    70.00000  124.00000
   63    40    41    37.50000  110.70000
   63    40    42    37.50000  110.70000
   65    63    64    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    50    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   42    40    41    33.00000  107.80000
   66    62    63    70.00000  124.00000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    70    35.00000  109.50000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    66    67    65.00000  117.92700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    50    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    55   0.44750  1.0 1.0
   29    33    50    55  -0.17800 -1.0 2.0
   29    33    50    55   0.20200  1.0 3.0
   29    33    50    58   0.44750  1.0 1.0
   29    33    50    58  -0.17800 -1.0 2.0
   29    33    50    58   0.20200  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    50    55    56   0.15000  1.0 3.0
   33    50    55    57   0.15000  1.0 3.0
   33    50    55    62   0.34400  1.0 1.0
   33    50    55    62   0.09450 -1.0 2.0
   33    50    55    62   0.11100  1.0 3.0
   33    50    58    59   0.15000  1.0 3.0
   33    50    58    60   0.15000  1.0 3.0
   33    50    58    61   0.15000  1.0 3.0
   37    33    50    48   0.56750  1.0 1.0
   37    33    50    48  -0.07550 -1.0 2.0
   37    33    50    48   0.20000  1.0 3.0
   37    33    50    55   0.56750  1.0 1.0
   37    33    50    55  -0.07550 -1.0 2.0
   37    33    50    55   0.20000  1.0 3.0
   37    33    50    58   0.56750  1.0 1.0
   37    33    50    58  -0.07550 -1.0 2.0
   37    33    50    58   0.20000  1.0 3.0
   37    33    40    63   0.56750  1.0 1.0
   37    33    40    63  -0.07550 -1.0 2.0
   37    33    40    63   0.20000  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    43    45    46   0.00000  1.0 1.0
   37    43    45    47   0.00000  1.0 1.0
   37    43   -45    48   0.60050  1.0 1.0
   37    43   -45    48   0.05600 -1.0 2.0
   37    43   -45    48   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    48    49  -0.11250  1.0 3.0
   43    45    48    50  -0.95700  1.0 1.0
   43    45    48    50  -0.18200 -1.0 2.0
   43    45    48    50   0.29450  1.0 3.0
   43    45    48    51  -0.95700  1.0 1.0
   43    45    48    51  -0.18200 -1.0 2.0
   43    45    48    51   0.29450  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.30150 -1.0 2.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    55   0.56750  1.0 1.0
   45    48    50    55  -0.07550 -1.0 2.0
   45    48    50    55   0.20000  1.0 3.0
   45    48    50    58   0.56750  1.0 1.0
   45    48    50    58  -0.07550 -1.0 2.0
   45    48    50    58   0.20000  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48    51    54   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    50    55    56   0.15000  1.0 3.0
   48    50    55    57   0.15000  1.0 3.0
   48    50    55    62   0.34400  1.0 1.0
   48    50    55    62   0.09450 -1.0 2.0
   48    50    55    62   0.11100  1.0 3.0
   48    50    58    59   0.15000  1.0 3.0
   48    50    58    60   0.15000  1.0 3.0
   48    50    58    61   0.15000  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    50    58   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33    37    39   0.15000  1.0 3.0
   50    33   -37    43  -0.95700  1.0 1.0
   50    33   -37    43  -0.18200 -1.0 2.0
   50    33   -37    43   0.29450  1.0 3.0
   50    33    40    63   0.56750  1.0 1.0
   50    33    40    63  -0.07550 -1.0 2.0
   50    33    40    63   0.20000  1.0 3.0
   50    33    40    41   0.15000  1.0 3.0
   50    33    40    42   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   50    55   -62    63   0.46850  1.0 1.0
   50    55   -62    63   0.08550 -1.0 2.0
   50    55   -62    63   0.09800  1.0 3.0
   50    55    62    66   0.09850  1.0 1.0
   50    55    62    66   0.15250 -1.0 2.0
   50    55    62    66  -0.50650  1.0 3.0
   55    50    58    59   0.15000  1.0 3.0
   55    50    58    60   0.15000  1.0 3.0
   55    50    58    61   0.15000  1.0 3.0
   55    62    63    64   0.34800  1.0 3.0
   55    62    63    65   0.34800  1.0 3.0
   55    62    63    40   0.46850  1.0 1.0
   55    62    63    40   0.08550 -1.0 2.0
   55    62    63    40   0.09800  1.0 3.0
   55    62    66    67   7.00000 -1.0 2.0
   55    62    66    71   7.00000 -1.0 2.0
   56    55    62    63   0.34800  1.0 3.0
   56    55    62    66   0.00000  1.0 1.0
   57    55    62    63   0.34800  1.0 3.0
   57    55    62    66   0.00000  1.0 1.0
   62    63   -40    33   0.34400  1.0 1.0
   62    63   -40    33   0.09450 -1.0 2.0
   62    63   -40    33   0.11100  1.0 3.0
   62    63    40    41   0.15000  1.0 3.0
   62    63    40    42   0.15000  1.0 3.0
   62    66    67    68   0.00000  1.0 1.0
   62    66    67    69   0.00000  1.0 1.0
   62    66    67    70   0.00000  1.0 1.0
   62    66    71    72   0.00000  1.0 1.0
   62    66    71    73   0.00000  1.0 1.0
   62    66    71    74   0.00000  1.0 1.0
   63    62    66    67   7.00000 -1.0 2.0
   63    62    66    71   7.00000 -1.0 2.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   64    63    40    42   0.15000  1.0 3.0
   65    63    40    33   0.15000  1.0 3.0
   65    63    40    41   0.15000  1.0 3.0
   65    63    40    42   0.15000  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    50    48   0.56750  1.0 1.0
   40    33    50    48  -0.07550 -1.0 2.0
   40    33    50    48   0.20000  1.0 3.0
   40    33   -50    55   0.56750  1.0 1.0
   40    33   -50    55  -0.07550 -1.0 2.0
   40    33   -50    55   0.20000  1.0 3.0
   40    33    50    58   0.56750  1.0 1.0
   40    33    50    58  -0.07550 -1.0 2.0
   40    33    50    58   0.20000  1.0 3.0
   66    62    63    64   0.00000  1.0 1.0
   66    62    63    65   0.00000  1.0 1.0
   66    62    63    40   0.09850  1.0 1.0
   66    62    63    40   0.15250 -1.0 2.0
   66    62    63    40  -0.50650  1.0 3.0
   67    66    71    72   0.34800  1.0 3.0
   67    66    71    73   0.34800  1.0 3.0
   67    66    71    74   0.34800  1.0 3.0
   71    66    67    68   0.34800  1.0 3.0
   71    66    67    69   0.34800  1.0 3.0
   71    66    67    70   0.34800  1.0 3.0
   58    50    55    56   0.15000  1.0 3.0
   58    50    55    57   0.15000  1.0 3.0
   58    50    55    62   0.34400  1.0 1.0
   58    50    55    62   0.09450 -1.0 2.0
   58    50    55    62   0.11100  1.0 3.0
   51    48    50    33   0.56750  1.0 1.0
   51    48    50    33  -0.07550 -1.0 2.0
   51    48    50    33   0.20000  1.0 3.0
   51    48    50    55   0.56750  1.0 1.0
   51    48    50    55  -0.07550 -1.0 2.0
   51    48    50    55   0.20000  1.0 3.0
   51    48    50    58   0.56750  1.0 1.0
   51    48    50    58  -0.07550 -1.0 2.0
   51    48    50    58   0.20000  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    45    43    44  10.50000 -1.0 2.0
   55    63    62    66   1.10000 -1.0 2.0
   67    71    66    62   1.10000 -1.0 2.0
END
