* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    239     430
    1     0 S   NP   _N1_     1    28.69791    97.03390   -23.47337
    2     1 S   H    _HN1     2     1.02949    67.69867    12.14876
    3     1 S   H    _H1_     3     1.02829    42.49734   168.70082
    4     1 S   H    _H2_     4     1.02788   105.61081   -91.68077
    5     1 S   CT   _CA1     5     1.50113   140.00283   107.73902
    6     5 S   HC   _HA1     6     1.09573   105.18895    98.43620
    7     5 S   CO3  _C1_     7     1.53785   112.48588   -21.79403
    8     7 S   O2Z  _O11     8     1.26372   115.00747   -42.12376
    9     7 S   O2Z  _O12     9     1.26241   114.94813   137.00774
   10     5 S   CT   _CB1    10     1.53077   107.42091  -143.57477
   11    10 S   HC   HB11    11     1.09834   109.36161   -49.64891
   12    10 S   HC   HB12    12     1.09812   110.45046    66.95762
   13    10 S   CT   _CG1    13     1.52994   112.61338  -170.62195
   14    13 S   HC   HG11    14     1.09579   110.64751   -66.01304
   15    13 S   HC   HG12    15     1.09671   109.76790    53.22207
   16    13 S   C    _CD1    16     1.51801   112.20305   173.67938
   17    16 S   O    _OE1    17     1.22730   123.27503     7.79906
   18    16 S   N    _N2_    18     1.38659   111.68975  -172.26670
   19    18 S   H    _HN2    19     1.01577   118.91658     1.81316
   20    18 S   CT1  _CA2    20     1.46203   123.39160   177.20285
   21    20 S   HC   _HA2    21     1.09735   109.37288     4.09453
   22    20 S   C    _C2_    22     1.53579   108.60018  -111.41878
   23    22 S   O    _O2_    23     1.23064   122.27101  -147.49630
   24    20 S   CT   _CB2    32     1.53331   111.59378   126.15580
   25    24 S   HC   HB21    33     1.09589   110.09585    56.21936
   26    24 S   HC   HB22    34     1.09457   109.97337   175.33452
   27    22 S   N    _N3_    24     1.38321   113.73420    39.90133
   28    27 S   H    _HN3    25     1.01575   119.60716    -3.15598
   29    24 S   S    _SG2    35     1.82698   111.57277   -64.86242
   30    27 S   CT   _CA3    26     1.45286   123.23370   177.20810
   31    30 S   HC   HA31    27     1.09548   107.49776   -65.00301
   32    30 S   HC   HA32    28     1.09556   108.00580    51.44604
   33    29 S   CT   _C15    36     1.82545    99.74787   170.67384
   34    33 S   HC   _H7_    37     1.09775   105.97708   -56.49884
   35    30 S   CO3  _C3_    29     1.52966   114.06213   173.45288
   36    35 S   O2Z  _O31    30     1.26379   116.06859    -0.68471
   37    35 S   O2Z  _O32    31     1.26427   114.41356   179.37756
   38    33 S   CT   _C14    38     1.52478   113.83974    64.80320
   39    38 S   HC   _H13    39     1.09517   111.71490   -70.88209
   40    38 S   HC   _H14    40     1.09343   108.71453    48.63163
   41    38 S   CT   _C11    41     1.55006   103.42630   168.81340
   42    41 S   CT   _C12    42     1.55406   114.52773  -158.05986
   43    42 S   HC   _H6_    43     1.09517   113.04463   -82.88832
   44    41 S   CT   _C10    61     1.57763   104.87054   -29.98789
   45    41 S   OH   _O38    72     1.43838   105.13698    84.80489
   46    45 S   HO   _H16    73     0.97281   108.38840    63.78058
   47    42 S   CO4  _C13    44     1.51079   110.28108    39.93012
   48    47 S   O    _O33    45     1.21951   126.68420   -93.54545
   49    33 S   CT   _C16    62     1.53305   115.22773  -176.56618
   50    44 S   CT   _C18    68     1.54637   113.33803   125.84894
   51    50 S   HC   _H17    69     1.09608   111.43218   -61.86329
   52    50 S   HC   _H18    70     1.09651   111.38887   178.69764
   53    50 S   HC   _H19    71     1.08884   112.69910    59.04554
   54    47 S   OS   _O34    46     1.36864   108.06719    85.15606
   55    49 S   CO4  _C17    63     1.51382   118.90417   -49.39058
   56    55 S   O    _O35    64     1.22171   126.23051    54.66324
   57    49 S   OH   _O37    66     1.41961   110.83093    72.64707
   58    57 S   HO   _H15    67     0.97397   107.51550   -58.02921
   59    54 S   CT   _C8_    47     1.44877   108.37676     4.68517
   60    59 S   HC   _H4_    48     1.09516   106.87969   146.15609
   61    64 S   OS   _O36    65     1.43533   107.87274   -37.19844
   62    42 S   CT   _C7_    49     1.54041   114.73415   148.56495
   63    62 S   HC   _H3_    50     1.10425   106.97397  -177.46063
   64    59 S   CT   _C9_    59     1.54074   109.43919   -93.79735
   65    64 S   HC   _H5_    60     1.09624   108.15626  -151.94336
   66    62 S   CM   _C5_    51     1.50898   121.50788    63.80705
   67    66 S   CM   _C6_    52     1.34337   122.96104    26.88454
   68    67 S   HC   _H11    53     1.08551   121.32435   177.62826
   69    67 S   HC   _H12    54     1.08362   122.16534    -1.50688
   70    66 S   CT   _C4_    55     1.50512   116.91308  -158.40374
   71    70 S   HC   _H8_    56     1.09497   110.27412   -52.00094
   72    70 S   HC   _H9_    57     1.09351   110.84872    68.39591
   73    70 S   HC   _H10    58     1.09542   112.16385  -171.61452
  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  10   5   4   3
  16   8   2   1   1  15   6   5  22  17   9  19   6   1   8   3
  12   9   3   2   1   8   7   3   3   1   9   6   3  11   4   2
   1   7   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    55    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    64    44    49    55    56    61    57    58    50    45  
   38    39    40    41    44    49    55    57  
   36    37  
   37  
    0  
   39    40    41    42    43    47    62    64    44    49    55    57    50    45    46  
   40    41    42    44    49    45  
   41    42    44    49    45  
   42    43    47    48    54    59    62    63    66    64    65    44    49    55    61    57    50    51    52    53    45    46  
   43    47    48    54    59    60    62    63    66    67    70    64    44    49    50    45    46  
   47    48    54    59    62    63    66    44    45  
   49    55    56    61    57    58    50    51    52    53    45    46    47    54    59    60    62    64    65  
   46    47    49    50    62    64  
    0  
   48    54    59    60    62    63    66    64  
   54    59    62  
   55    56    61    57    58    50    51    52    53    59    64    65  
   51    52    53    55    57    59    61    64    65  
   52    53    64  
   53    64  
   64  
   59    60    62    63    66    64    65    61  
   56    61    57    58    59    64    65  
   61    57    64  
   58    61    64  
    0  
   60    62    63    66    67    70    64    65    61  
   62    63    66    64    65    61  
   62    64    65  
   63    66    67    68    69    70    71    72    73    64    65  
   66    67    70    64  
   65    66  
    0  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    45   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.522
   42    62   268.000  1.529
   47    48   570.000  1.229
   47    54   214.000  1.327
   54    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   268.000  1.529
   62    63   340.000  1.090
   62    66   317.000  1.510
   66    67   549.000  1.340
   66    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   64    65   340.000  1.090
   64    44   268.000  1.529
   64    61   320.000  1.410
   44    49   268.000  1.529
   44    50   268.000  1.529
   49    55   317.000  1.522
   49    57   320.000  1.410
   55    56   570.000  1.229
   55    61   214.000  1.327
   57    58   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    55    63.00000  111.10000
   33    49    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    45    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    47    63.00000  111.10000
   41    42    62    58.35000  112.70000
   41    44    64    58.35000  112.70000
   41    44    49    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    45    46    55.00000  108.50000
   42    47    48    80.00000  120.40000
   42    47    54    81.00000  111.40000
   42    62    59    58.35000  112.70000
   42    62    63    37.50000  110.70000
   42    62    66    70.00000  112.02700
   47    42    43    35.00000  109.50000
   47    54    59    83.00000  116.90000
   54    47    48    83.00000  123.40000
   54    59    60    35.00000  109.50000
   54    59    62    50.00000  109.50000
   54    59    64    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    66    70.00000  112.02700
   59    64    65    37.50000  110.70000
   59    64    44    58.35000  112.70000
   59    64    61    50.00000  109.50000
   62    42    43    37.50000  110.70000
   62    42    47    63.00000  111.10000
   62    59    60    37.50000  110.70000
   62    66    67    70.00000  124.00000
   62    66    70    65.00000  117.92700
   66    62    63    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   69    67    68    35.00000  117.00000
   70    66    67    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    62    58.35000  112.70000
   64    44    49    58.35000  112.70000
   64    44    50    58.35000  112.70000
   64    61    55    83.00000  116.90000
   44    41    42    58.35000  112.70000
   44    64    65    37.50000  110.70000
   44    49    55    63.00000  111.10000
   44    49    57    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    55    56    80.00000  120.40000
   49    55    61    81.00000  111.40000
   49    57    58    55.00000  108.50000
   61    64    65    35.00000  109.50000
   61    64    44    50.00000  109.50000
   61    55    56    83.00000  123.40000
   57    49    55    90.00000  109.61100
   50    44    49    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
   45    41    42    50.00000  109.50000
   45    41    44    50.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   29    33    49    57   0.56750  1.0 1.0
   29    33    49    57  -0.07550 -1.0 2.0
   29    33    49    57   0.20000  1.0 3.0
   33    38    41    42   0.56750  1.0 1.0
   33    38    41    42  -0.07550 -1.0 2.0
   33    38    41    42   0.20000  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    38    41    45   0.86500  1.0 1.0
   33    38    41    45  -0.17500 -1.0 2.0
   33    38    41    45   0.20800  1.0 3.0
   33    49    55    56   0.30150 -1.0 2.0
   33    49    55    61   0.36750  1.0 3.0
   33    49    57    58  -0.11600  1.0 1.0
   33    49    57    58  -0.09450 -1.0 2.0
   33    49    57    58   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    55  -0.11250  1.0 3.0
   34    33    49    57   0.23400  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    55  -0.95700  1.0 1.0
   38    33    49    55  -0.18200 -1.0 2.0
   38    33    49    55   0.29450  1.0 3.0
   38    33    49    57   0.86500  1.0 1.0
   38    33    49    57  -0.17500 -1.0 2.0
   38    33    49    57   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    47  -0.95700  1.0 1.0
   38    41    42    47  -0.18200 -1.0 2.0
   38    41    42    47   0.29450  1.0 3.0
   38    41    42    62   0.56750  1.0 1.0
   38    41    42    62  -0.07550 -1.0 2.0
   38    41    42    62   0.20000  1.0 3.0
   38    41    44    64   0.56750  1.0 1.0
   38    41    44    64  -0.07550 -1.0 2.0
   38    41    44    64   0.20000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   38    41    44    50   0.56750  1.0 1.0
   38    41    44    50  -0.07550 -1.0 2.0
   38    41    44    50   0.20000  1.0 3.0
   38    41    45    46  -0.11600  1.0 1.0
   38    41    45    46  -0.09450 -1.0 2.0
   38    41    45    46   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    45   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    45   0.23400  1.0 3.0
   41    42    47    48   0.30150 -1.0 2.0
   41    42    47    54   0.36750  1.0 3.0
   41    42    62    59   0.56750  1.0 1.0
   41    42    62    59  -0.07550 -1.0 2.0
   41    42    62    59   0.20000  1.0 3.0
   41    42    62    63   0.15000  1.0 3.0
   41    42    62    66   0.34400  1.0 1.0
   41    42    62    66   0.09450 -1.0 2.0
   41    42    62    66   0.11100  1.0 3.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    55  -0.95700  1.0 1.0
   41    44    49    55  -0.18200 -1.0 2.0
   41    44    49    55   0.29450  1.0 3.0
   41    44    49    57   0.86500  1.0 1.0
   41    44    49    57  -0.17500 -1.0 2.0
   41    44    49    57   0.20800  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    53   0.15000  1.0 3.0
   42    41    44    64   0.56750  1.0 1.0
   42    41    44    64  -0.07550 -1.0 2.0
   42    41    44    64   0.20000  1.0 3.0
   42    41    44    49   0.56750  1.0 1.0
   42    41    44    49  -0.07550 -1.0 2.0
   42    41    44    49   0.20000  1.0 3.0
   42    41    44    50   0.56750  1.0 1.0
   42    41    44    50  -0.07550 -1.0 2.0
   42    41    44    50   0.20000  1.0 3.0
   42    41    45    46  -0.11600  1.0 1.0
   42    41    45    46  -0.09450 -1.0 2.0
   42    41    45    46   0.21250  1.0 3.0
   42    47   -54    59   1.63150  1.0 1.0
   42    47   -54    59   2.92000 -1.0 2.0
   42    62    66    67   0.09850  1.0 1.0
   42    62    66    67   0.15250 -1.0 2.0
   42    62    66    67  -0.50650  1.0 3.0
   42    62    66    70   0.46850  1.0 1.0
   42    62    66    70   0.08550 -1.0 2.0
   42    62    66    70   0.09800  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    54   0.00000  1.0 1.0
   43    42    62    59   0.15000  1.0 3.0
   43    42    62    63   0.15000  1.0 3.0
   43    42    62    66   0.15000  1.0 3.0
   47    42   -62    59  -0.95700  1.0 1.0
   47    42   -62    59  -0.18200 -1.0 2.0
   47    42   -62    59   0.29450  1.0 3.0
   47    42    62    63  -0.11250  1.0 3.0
   47    42    62    66  -0.98800  1.0 1.0
   47    42    62    66   0.48800 -1.0 2.0
   47    42    62    66   0.76800  1.0 3.0
   47    54    59    60   0.08050  1.0 3.0
   47    54   -59    62  -0.25900  1.0 1.0
   47    54   -59    62  -0.47000 -1.0 2.0
   47    54   -59    62   0.11750  1.0 3.0
   47    54    59    64  -0.25900  1.0 1.0
   47    54    59    64  -0.47000 -1.0 2.0
   47    54    59    64   0.11750  1.0 3.0
   48    47    54    59   3.00000 -1.0 2.0
   54    59   -62    42   0.62750  1.0 1.0
   54    59   -62    42  -0.30950 -1.0 2.0
   54    59   -62    42   0.27300  1.0 3.0
   54    59    62    63   0.23400  1.0 3.0
   54    59    62    66   0.61850  1.0 1.0
   54    59    62    66  -0.22750 -1.0 2.0
   54    59    62    66   0.15300  1.0 3.0
   54    59    64    65   0.23400  1.0 3.0
   54    59    64    44   0.62750  1.0 1.0
   54    59    64    44  -0.30950 -1.0 2.0
   54    59    64    44   0.27300  1.0 3.0
   54    59    64    61   1.11900  1.0 1.0
   54    59    64    61  -1.16350 -1.0 2.0
   54    59    64    61  -0.34150  1.0 3.0
   59    62    66    67   0.09850  1.0 1.0
   59    62    66    67   0.15250 -1.0 2.0
   59    62    66    67  -0.50650  1.0 3.0
   59    62    66    70   0.46850  1.0 1.0
   59    62    66    70   0.08550 -1.0 2.0
   59    62    66    70   0.09800  1.0 3.0
   59    64   -44    41   0.56750  1.0 1.0
   59    64   -44    41  -0.07550 -1.0 2.0
   59    64   -44    41   0.20000  1.0 3.0
   59    64    44    49   0.56750  1.0 1.0
   59    64    44    49  -0.07550 -1.0 2.0
   59    64    44    49   0.20000  1.0 3.0
   59    64    44    50   0.56750  1.0 1.0
   59    64    44    50  -0.07550 -1.0 2.0
   59    64    44    50   0.20000  1.0 3.0
   59    64    61    55  -0.25900  1.0 1.0
   59    64    61    55  -0.47000 -1.0 2.0
   59    64    61    55   0.11750  1.0 3.0
   60    59    62    42   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    44   0.15000  1.0 3.0
   60    59    64    61   0.23400  1.0 3.0
   62    42    47    48   0.30150 -1.0 2.0
   62    42   -47    54   0.36750  1.0 3.0
   62    59    64    65   0.15000  1.0 3.0
   62    59    64    44   0.56750  1.0 1.0
   62    59    64    44  -0.07550 -1.0 2.0
   62    59    64    44   0.20000  1.0 3.0
   62    59    64    61   0.62750  1.0 1.0
   62    59    64    61  -0.30950 -1.0 2.0
   62    59    64    61   0.27300  1.0 3.0
   62    66    67    68   7.00000 -1.0 2.0
   62    66    67    69   7.00000 -1.0 2.0
   62    66    70    71   0.34800  1.0 3.0
   62    66    70    72   0.34800  1.0 3.0
   62    66    70    73   0.34800  1.0 3.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    70   0.34800  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   70    66    67    68   7.00000 -1.0 2.0
   70    66    67    69   7.00000 -1.0 2.0
   64    59   -62    42   0.56750  1.0 1.0
   64    59   -62    42  -0.07550 -1.0 2.0
   64    59   -62    42   0.20000  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59    62    66   0.34400  1.0 1.0
   64    59    62    66   0.09450 -1.0 2.0
   64    59    62    66   0.11100  1.0 3.0
   64    44    49    33   0.56750  1.0 1.0
   64    44    49    33  -0.07550 -1.0 2.0
   64    44    49    33   0.20000  1.0 3.0
   64    44   -49    55  -0.95700  1.0 1.0
   64    44   -49    55  -0.18200 -1.0 2.0
   64    44   -49    55   0.29450  1.0 3.0
   64    44    49    57   0.86500  1.0 1.0
   64    44    49    57  -0.17500 -1.0 2.0
   64    44    49    57   0.20800  1.0 3.0
   64    44    50    51   0.15000  1.0 3.0
   64    44    50    52   0.15000  1.0 3.0
   64    44    50    53   0.15000  1.0 3.0
   65    64    44    41   0.15000  1.0 3.0
   65    64    44    49   0.15000  1.0 3.0
   65    64    44    50   0.15000  1.0 3.0
   65    64    61    55   0.08050  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    47  -0.95700  1.0 1.0
   44    41    42    47  -0.18200 -1.0 2.0
   44    41    42    47   0.29450  1.0 3.0
   44    41   -42    62   0.56750  1.0 1.0
   44    41   -42    62  -0.07550 -1.0 2.0
   44    41   -42    62   0.20000  1.0 3.0
   44    41    45    46  -0.11600  1.0 1.0
   44    41    45    46  -0.09450 -1.0 2.0
   44    41    45    46   0.21250  1.0 3.0
   44    64   -61    55  -0.25900  1.0 1.0
   44    64   -61    55  -0.47000 -1.0 2.0
   44    64   -61    55   0.11750  1.0 3.0
   44    49    55    56   0.30150 -1.0 2.0
   44    49   -55    61   0.36750  1.0 3.0
   44    49    57    58  -0.11600  1.0 1.0
   44    49    57    58  -0.09450 -1.0 2.0
   44    49    57    58   0.21250  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    44    50    51   0.15000  1.0 3.0
   49    44    50    52   0.15000  1.0 3.0
   49    44    50    53   0.15000  1.0 3.0
   49    55   -61    64   1.63150  1.0 1.0
   49    55   -61    64   2.92000 -1.0 2.0
   55    49    57    58   0.91850  1.0 1.0
   55    49    57    58   0.57950  1.0 3.0
   56    55    61    64   3.00000 -1.0 2.0
   61    64    44    41   0.62750  1.0 1.0
   61    64    44    41  -0.30950 -1.0 2.0
   61    64    44    41   0.27300  1.0 3.0
   61    64   -44    49   0.62750  1.0 1.0
   61    64   -44    49  -0.30950 -1.0 2.0
   61    64   -44    49   0.27300  1.0 3.0
   61    64    44    50   0.62750  1.0 1.0
   61    64    44    50  -0.30950 -1.0 2.0
   61    64    44    50   0.27300  1.0 3.0
   57    49    55    56   0.30150 -1.0 2.0
   57    49    55    61   0.30750  1.0 1.0
   57    49    55    61   1.13850 -1.0 2.0
   57    49    55    61   0.38850  1.0 3.0
   50    44    49    33   0.56750  1.0 1.0
   50    44    49    33  -0.07550 -1.0 2.0
   50    44    49    33   0.20000  1.0 3.0
   50    44    49    55  -0.95700  1.0 1.0
   50    44    49    55  -0.18200 -1.0 2.0
   50    44    49    55   0.29450  1.0 3.0
   50    44    49    57   0.86500  1.0 1.0
   50    44    49    57  -0.17500 -1.0 2.0
   50    44    49    57   0.20800  1.0 3.0
   45    41    42    43   0.23400  1.0 3.0
   45    41    42    47  -0.09450  1.0 1.0
   45    41    42    47  -1.12950 -1.0 2.0
   45    41    42    47   0.54000  1.0 3.0
   45    41    42    62   0.86500  1.0 1.0
   45    41    42    62  -0.17500 -1.0 2.0
   45    41    42    62   0.20800  1.0 3.0
   45    41    44    64   0.86500  1.0 1.0
   45    41    44    64  -0.17500 -1.0 2.0
   45    41    44    64   0.20800  1.0 3.0
   45    41    44    49   0.86500  1.0 1.0
   45    41    44    49  -0.17500 -1.0 2.0
   45    41    44    49   0.20800  1.0 3.0
   45    41    44    50   0.86500  1.0 1.0
   45    41    44    50  -0.17500 -1.0 2.0
   45    41    44    50   0.20800  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   42    54    47    48  10.50000 -1.0 2.0
   62    70    66    67  15.00000 -1.0 2.0
   68    69    67    66  15.00000 -1.0 2.0
   49    61    55    56  10.50000 -1.0 2.0
END
