* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    122    185     352
    1     0 S   NP   _N1_     1    28.91409    96.49139   -20.68170
    2     1 S   H    _HN1     2     1.02849    41.63948   154.53770
    3     1 S   H    _H1_     3     1.02791    83.73632   -79.54169
    4     1 S   H    _H2_     4     1.02959    83.55581    29.73694
    5     1 S   CT   _CA1     5     1.50065   152.39374   152.76089
    6     5 S   HC   _HA1     6     1.09569   105.29662    60.42251
    7     5 S   CO3  _C1_     7     1.53762   112.44015   -59.98085
    8     7 S   O2Z  _O11     8     1.26357   115.07093   -44.96152
    9     7 S   O2Z  _O12     9     1.26233   114.94889   134.67858
   10     5 S   CT   _CB1    10     1.53125   107.50954   178.45566
   11    10 S   HC   HB11    11     1.09821   109.44738   -50.52609
   12    10 S   HC   HB12    12     1.09826   110.37125    66.05144
   13    10 S   CT   _CG1    13     1.53025   112.63690  -171.61871
   14    13 S   HC   HG11    14     1.09589   110.44623   -61.57528
   15    13 S   HC   HG12    15     1.09639   110.03690    57.65218
   16    13 S   C    _CD1    16     1.51789   112.30934   178.10990
   17    16 S   O    _OE1    17     1.22700   123.24918    -4.25754
   18    16 S   N    _N2_    18     1.38601   111.58848   175.68625
   19    18 S   H    _HN2    19     1.01588   119.02404     2.11081
   20    18 S   CT1  _CA2    20     1.46316   123.46308  -178.34909
   21    20 S   HC   _HA2    21     1.09728   109.44784   -13.23593
   22    20 S   C    _C2_    22     1.53380   108.08213  -128.96411
   23    22 S   O    _O2_    23     1.22992   122.33869  -143.96785
   24    20 S   CT   _CB2    32     1.53380   111.17754   108.96555
   25    24 S   HC   HB21    33     1.09530   109.49745    54.39985
   26    24 S   HC   HB22    34     1.09504   110.78003   173.13202
   27    22 S   N    _N3_    24     1.38531   113.27172    43.23141
   28    27 S   H    _HN3    25     1.01524   118.95601    -0.32325
   29    24 S   S    _SG2    35     1.82877   111.51874   -67.40689
   30    27 S   CT   _CA3    26     1.45463   123.41242   175.04702
   31    30 S   HC   HA31    27     1.09524   109.19636    24.97466
   32    30 S   HC   HA32    28     1.09492   107.12024   142.00024
   33    29 S   CT   _C10    36     1.83766    99.76273   159.24538
   34    33 S   HC   _H3_    37     1.09669   104.67750    45.24369
   35    30 S   CO3  _C3_    29     1.52946   113.18816   -98.45783
   36    35 S   O2Z  _O31    30     1.26397   115.44775   -42.38657
   37    35 S   O2Z  _O32    31     1.26360   114.94265   138.53775
   38    33 S   CA   _C9_    38     1.50973   112.17433   -71.87633
   39    33 S   CM   _C11    52     1.51048   110.03174   161.88873
   40    38 S   CA   _C8_    39     1.39735   122.26700   139.22066
   41    40 S   HA   _H9_    40     1.08641   120.63085    -1.58437
   42    39 S   CA   _C13    53     1.47139   122.20782    80.06400
   43    39 S   CMA  _C12    68     1.51700   119.86075  -114.15175
   44    43 S   OM   _O33    69     1.26344   120.67836   -57.11671
   45    43 S   OM   _O34    70     1.26249   120.51290   122.03232
   46    40 S   CA   _C7_    41     1.39035   119.38991   177.91231
   47    46 S   HA   _H8_    42     1.08629   120.05078   179.94405
   48    42 S   CA   _C14    54     1.39862   120.95741   -78.49842
   49    48 S   HA   _H11    55     1.08702   120.67260    -2.80812
   50    46 S   CA   _C6_    43     1.39039   119.81640    -0.57471
   51    50 S   HA   _H7_    44     1.08604   120.02688  -179.60634
   52    48 S   CA   _C15    56     1.39929   120.70708   177.85908
   53    52 S   HA   _H12    57     1.08541   117.81348  -179.95154
   54    50 S   CA   _C5_    45     1.39437   119.29824    -0.04846
   55    52 S   CA   _C16    58     1.39587   120.24188     0.27411
   56    38 S   NAP  _N4_    46     1.34780   118.80919   -43.76236
   57    56 S   H    _H10    47     1.02078   117.60482     1.65209
   58    54 S   CT   _C4_    48     1.49069   122.26796  -179.12912
   59    58 S   HC   _H4_    49     1.09423   110.20353    61.03627
   60    58 S   HC   _H5_    50     1.09415   111.13108  -179.20451
   61    58 S   HC   _H6_    51     1.09398   110.10636   -59.35469
   62    55 S   CA   _C17    59     1.39760   119.16528     0.49258
   63    62 S   HA   _H13    60     1.08725   120.19423   179.61590
   64    55 S   OS   _O35    63     1.36941   125.86581  -179.69353
   65    42 S   CA   _C18    61     1.39956   120.17463   100.39458
   66    65 S   HA   _H14    62     1.08767   120.54556     1.47326
   67    64 S   CT   _C19    64     1.42266   116.74142     1.04080
   68    67 S   HC   _H15    65     1.09429   107.75308   179.34419
   69    67 S   HC   _H16    66     1.09507   111.15910    61.57640
   70    67 S   HC   _H17    67     1.09498   111.11574   -62.91411
  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   8   5   4   3
  15   6   2   1   1  12  12   8   4  12   4   1   1   6   3   8
   4   8   3   7   3   6   9   5   1   3   2   1   1   5   3   5
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    56    39    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    54    56    57    39    42    48    65    43    44    45  
   38    40    56    39    42    43  
   36    37  
   37  
    0  
   40    41    46    47    50    54    56    57    58    39    42    43  
   42    48    49    52    62    65    66    43    44    45    40    56  
   41    46    47    50    51    54    56    57  
   46    47    50    56  
   48    49    52    53    55    62    63    65    66    43    44    45  
   44    45    48    65  
   45  
    0  
   47    50    51    54    56    58  
   50    51    54  
   49    52    53    55    62    65    66    64  
   52    53    55    65  
   51    54    56    57    58    59    60    61  
   54    56    58  
   53    55    62    63    65    64    67  
   55    62    64  
   56    57    58    59    60    61  
   62    63    65    66    64    67    68    69    70  
   57    58    59    60    61  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    65    66    64    67  
   65    66    64  
   67    68    69    70    65  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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   0.222500   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   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   57   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.065000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    56   485.000  1.342
   40    41   367.000  1.080
   40    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    56   485.000  1.342
   54    58   317.000  1.510
   56    57   475.000  1.020
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    42   320.000  1.460
   39    43   465.000  1.376
   42    48   469.000  1.400
   42    65   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    62   469.000  1.400
   55    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   367.000  1.080
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   43    44   745.000  1.250
   43    45   745.000  1.250
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    56    70.00000  116.21300
   33    39    42    65.00000  118.87000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    63.00000  120.00000
   38    56    54    70.00000  123.81700
   38    56    57    45.00000  117.56800
   40    46    47    35.00000  120.00000
   40    46    50    63.00000  120.00000
   46    40    41    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    56    70.00000  119.29800
   50    54    58    70.00000  120.00000
   54    50    51    35.00000  120.00000
   54    56    57    45.00000  117.56800
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   56    38    40    70.00000  119.29800
   58    54    56    70.00000  116.21300
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    48    60.00000  120.93500
   39    42    65    60.00000  120.93500
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   42    48    49    35.00000  120.00000
   42    48    52    63.00000  120.00000
   42    65    62    63.00000  120.00000
   42    65    66    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    62    63.00000  120.00000
   52    55    64    70.00000  120.00000
   55    52    53    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    65    63.00000  120.00000
   55    64    67    75.00000  111.00000
   62    65    66    35.00000  120.00000
   65    42    48    63.00000  120.00000
   65    62    63    35.00000  120.00000
   64    55    62    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    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
   43    39    42    60.00000  123.20500
   45    43    44    65.00000  121.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    56   0.04300 -1.0 2.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    46   3.62500 -1.0 2.0
   33    38    56    54   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    42    48  -0.02500  1.0 1.0
   33    39    42    48  -0.32150 -1.0 2.0
   33    39    42    48  -0.01500  1.0 3.0
   33    39    42    65  -0.02500  1.0 1.0
   33    39    42    65  -0.32150 -1.0 2.0
   33    39    42    65  -0.01500  1.0 3.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    42   0.77000  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    40    46    47   3.62500 -1.0 2.0
   38    40    46    50   3.62500 -1.0 2.0
   40    38    56    54   3.62500 -1.0 2.0
   40    38    56    57   3.62500 -1.0 2.0
   40    46    50    51   3.62500 -1.0 2.0
   40    46   -50    54   3.62500 -1.0 2.0
   41    40    46    47   3.62500 -1.0 2.0
   41    40    46    50   3.62500 -1.0 2.0
   46    50    54    56   3.62500 -1.0 2.0
   46    50    54    58   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -56    38   3.62500 -1.0 2.0
   50    54    56    57   3.62500 -1.0 2.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    61   0.00000  1.0 1.0
   51    50    54    56   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   56    38    40    41   3.62500 -1.0 2.0
   56    38   -40    46   3.62500 -1.0 2.0
   56    54    58    59   0.00000  1.0 1.0
   56    54    58    60   0.00000  1.0 1.0
   56    54    58    61   0.00000  1.0 1.0
   58    54    56    38   3.62500 -1.0 2.0
   58    54    56    57   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    56   0.04300 -1.0 2.0
   39    42    48    49   3.62500 -1.0 2.0
   39    42    48    52   3.62500 -1.0 2.0
   39    42    65    62   3.62500 -1.0 2.0
   39    42    65    66   3.62500 -1.0 2.0
   42    39    43    44   7.00000 -1.0 2.0
   42    39    43    45   7.00000 -1.0 2.0
   42    48    52    53   3.62500 -1.0 2.0
   42    48    52    55   3.62500 -1.0 2.0
   48    42    65    62   3.62500 -1.0 2.0
   48    42    65    66   3.62500 -1.0 2.0
   48    52   -55    62   3.62500 -1.0 2.0
   48    52    55    64   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55    62    63   3.62500 -1.0 2.0
   52    55    62    65   3.62500 -1.0 2.0
   52    55    64    67   1.63200 -1.0 2.0
   53    52    55    62   3.62500 -1.0 2.0
   53    52    55    64   3.62500 -1.0 2.0
   55    62   -65    42   3.62500 -1.0 2.0
   55    62    65    66   3.62500 -1.0 2.0
   55    64    67    68   0.08050  1.0 3.0
   55    64    67    69   0.08050  1.0 3.0
   55    64    67    70   0.08050  1.0 3.0
   62    55    64    67   1.63200 -1.0 2.0
   63    62    65    42   3.62500 -1.0 2.0
   63    62    65    66   3.62500 -1.0 2.0
   65    42    48    49   3.62500 -1.0 2.0
   65    42   -48    52   3.62500 -1.0 2.0
   64    55    62    63   3.62500 -1.0 2.0
   64    55    62    65   3.62500 -1.0 2.0
   43    39    42    48   0.15800  1.0 1.0
   43    39    42    48   1.85350 -1.0 2.0
   43    39    42    48  -0.48700  1.0 3.0
   43    39    42    65   0.15800  1.0 1.0
   43    39    42    65   1.85350 -1.0 2.0
   43    39    42    65  -0.48700  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
   40    56    38    33   4.00000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   50    47    46    40   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   58    56    54    50   4.00000 -1.0 2.0
   57    38    56    54   1.00000 -1.0 2.0
   33    42    39    43  15.00000 -1.0 2.0
   48    65    42    39   4.00000 -1.0 2.0
   52    49    48    42   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   62    64    55    52   4.00000 -1.0 2.0
   65    63    62    55   1.10000 -1.0 2.0
   62    66    65    42   1.10000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
