* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    225     416
    1     0 S   NP   _N1_     1    29.42510    92.32063   -23.16580
    2     1 S   H    _HN1     2     1.02951    99.83613     4.76074
    3     1 S   H    _H1_     3     1.02837    18.70011   119.43722
    4     1 S   H    _H2_     4     1.02784    94.68499  -104.79048
    5     1 S   CT   _CA1     5     1.50089   129.09140   131.48189
    6     5 S   HC   _HA1     6     1.09561   105.29978    55.26326
    7     5 S   CO3  _C1_     7     1.53860   112.27490   -65.22761
    8     7 S   O2Z  _O11     8     1.26379   115.01201   -45.61710
    9     7 S   O2Z  _O12     9     1.26226   114.93541   133.54541
   10     5 S   CT   _CB1    10     1.53062   107.46609   173.42189
   11    10 S   HC   HB11    11     1.09824   109.72061   -48.43649
   12    10 S   HC   HB12    12     1.09815   110.23241    68.15816
   13    10 S   CT   _CG1    13     1.53026   112.53641  -169.36085
   14    13 S   HC   HG11    14     1.09592   110.55217   -58.81406
   15    13 S   HC   HG12    15     1.09630   110.00827    60.50703
   16    13 S   C    _CD1    16     1.51713   112.13166  -178.76901
   17    16 S   O    _OE1    17     1.22779   123.20674     0.52563
   18    16 S   N    _N2_    18     1.38677   111.75964   179.48909
   19    18 S   H    _HN2    19     1.01583   119.23464     3.63884
   20    18 S   CT1  _CA2    20     1.46016   123.01070  -176.57240
   21    20 S   HC   _HA2    21     1.09563   109.03817    -3.46210
   22    20 S   C    _C2_    22     1.53416   109.37727  -118.46897
   23    22 S   O    _O2_    23     1.23060   122.13727  -151.37965
   24    20 S   CT   _CB2    32     1.53638   112.03395   118.43129
   25    24 S   HC   HB21    33     1.09672   109.32203    72.49812
   26    24 S   HC   HB22    34     1.09568   110.58132  -170.84122
   27    22 S   N    _N3_    24     1.38291   113.70924    36.16228
   28    27 S   H    _HN3    25     1.01620   119.50817    -3.72257
   29    24 S   S    _SG2    35     1.83168   115.59116   -46.56661
   30    27 S   CT   _CA3    26     1.45287   123.16094   176.88360
   31    30 S   HC   HA31    27     1.09551   107.55965   -63.13403
   32    30 S   HC   HA32    28     1.09557   107.91756    53.27982
   33    29 S   CT   _C11    36     1.81952   101.33511   -64.23053
   34    33 S   HC   _H3_    37     1.09287   107.83133    30.61218
   35    30 S   CO3  _C3_    29     1.52940   114.10976   175.24816
   36    35 S   O2Z  _O31    30     1.26371   116.04326    -0.35827
   37    35 S   O2Z  _O32    31     1.26423   114.41825   179.69036
   38    33 S   CM   _C4_    38     1.49387   109.29988   -86.39403
   39    38 S   HC   _H21    39     1.08368   122.34734    66.65912
   40    38 S   CMA  _C5_    40     1.34334   114.52757  -114.41359
   41    40 S   OM   _O16    41     1.25930   132.17056  -179.87180
   42    40 S   CT   _C15    42     1.56929   110.52960     1.82895
   43    42 S   CT   _C14    43     1.57315   112.24405  -136.19978
   44    43 S   HC   _H31    44     1.10124   108.21489    27.11512
   45    33 S   CT   _C16    62     1.56657   120.69247   156.11242
   46    42 S   CT   _C18    69     1.54958   105.77217   102.31958
   47    46 S   HC   _H35    70     1.09001   112.26076   172.85556
   48    46 S   HC   _H36    71     1.09729   111.91371    54.45350
   49    46 S   HC   _H37    72     1.09380   112.26876   -64.67467
   50    43 S   CT   _C12    45     1.53537   120.52358   149.89653
   51    50 S   HC   _H29    46     1.09735   109.53284   -94.00947
   52    45 S   OH   _O19    63     1.46674   102.07072  -151.78239
   53    52 S   HO   _H38    64     0.97348   107.91833    66.08821
   54    50 S   CM   _C6_    47     1.49479    99.84378   151.53244
   55    50 S   CT   _C9_    54     1.53106   118.23424    31.45867
   56    55 S   HC   _H24    55     1.09934   108.32604   160.54383
   57    55 S   HC   _H25    56     1.09307   111.68461    45.39334
   58    54 S   CO4  _C7_    48     1.47133   109.46227   -22.51131
   59    58 S   O    _O17    49     1.21731   127.12658  -168.99522
   60    54 S   CM   _C8_    51     1.33599   128.34552   155.14281
   61    60 S   HC   _H22    52     1.08490   120.70612     1.28298
   62    60 S   HC   _H23    53     1.08500   121.73556  -178.68880
   63    55 S   CT   _C10    57     1.53116   113.60272   -82.07290
   64    63 S   HC   _H26    58     1.09882   107.92962  -162.33697
   65    63 S   HC   _H27    59     1.09755   109.24660   -49.13924
   66    43 S   OS   _O18    50     1.45147   110.04259   -87.49899
   67    63 S   CT   _C13    60     1.54727   116.20431    75.75724
   68    67 S   HC   _H30    61     1.09913   104.40665  -171.05692
   69    67 S   CT   _C17    65     1.53583   107.75537    77.91499
   70    69 S   HC   _H32    66     1.09200   112.92160   -45.68849
   71    69 S   HC   _H33    67     1.08618   114.50556  -169.25961
   72    69 S   HC   _H34    68     1.09747   109.20025    71.61567
  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   9   5   4   3
  15   7   2   1   1   9   4  13   4  19  19   8  18   7   2   1
   1  15   8   5   1  10  11   5   4   5   2   3   1   1   8   4
   3   1   5   4   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    67    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    63    67    68    45    52    53    69    46  
   38    39    40    42    67    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    67    45    52    46  
   40    41    42    45  
   41    42    43    44    50    66    67    45    52    46    47    48    49  
   42    43    45    46  
   43    44    50    51    54    58    66    55    63    67    68    45    52    53    69    46    47    48    49  
   44    50    51    54    58    59    66    60    55    56    57    63    67    45    52    46    47    48    49  
   50    51    54    58    66    55    45    46  
   52    53    69    70    71    72    46    47    48    49    50    55    63    64    65    66    67    68  
   47    48    49    50    52    66    67  
   48    49  
   49  
    0  
   51    54    58    59    66    60    61    62    55    56    57    63    64    65    67  
   54    58    66    60    55    56    57    63  
   53    69    63    67    68  
   67  
   58    59    66    60    61    62    55    56    57    63  
   56    57    63    64    65    67    68    69    58    60    66  
   57    63    64    65    67  
   63    64    65    67  
   59    66    60    61    62  
   66    60  
   61    62    66  
   62  
    0  
   64    65    67    68    69    70    71    72  
   65    67    68    69  
   67    68    69  
    0  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    45   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    46   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    66   320.000  1.410
   50    51   340.000  1.090
   50    54   317.000  1.510
   50    55   268.000  1.529
   54    58   320.000  1.462
   54    60   549.000  1.340
   58    59   570.000  1.229
   58    66   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    45   268.000  1.529
   67    69   268.000  1.529
   45    52   320.000  1.410
   52    53   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    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  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    42    58.35000  112.70000
   33    45    67    58.35000  112.70000
   33    45    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    46    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    50    58.35000  112.70000
   42    43    66    50.00000  109.50000
   42    45    67    58.35000  112.70000
   42    45    52    50.00000  109.50000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    54    70.00000  112.02700
   43    50    55    58.35000  112.70000
   43    66    58    83.00000  116.90000
   50    43    44    37.50000  110.70000
   50    54    58    65.00000  116.34900
   50    54    60    70.00000  124.00000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    63    58.35000  112.70000
   54    50    51    35.00000  109.50000
   54    58    59    80.00000  123.72100
   54    58    66    90.00000  111.29400
   54    60    61    35.00000  120.00000
   54    60    62    35.00000  120.00000
   66    43    44    35.00000  109.50000
   66    43    50    50.00000  109.50000
   66    58    59    83.00000  123.40000
   60    54    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   55    50    51    37.50000  110.70000
   55    50    54    70.00000  112.02700
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    45    58.35000  112.70000
   63    67    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    45    52    50.00000  109.50000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    42    43    58.35000  112.70000
   45    67    68    37.50000  110.70000
   45    52    53    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    67    45    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   46    42    43    58.35000  112.70000
   46    42    45    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    42   0.44750  1.0 1.0
   29    33    45    42  -0.17800 -1.0 2.0
   29    33    45    42   0.20200  1.0 3.0
   29    33    45    67   0.44750  1.0 1.0
   29    33    45    67  -0.17800 -1.0 2.0
   29    33    45    67   0.20200  1.0 3.0
   29    33    45    52   0.56750  1.0 1.0
   29    33    45    52  -0.07550 -1.0 2.0
   29    33    45    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    45    52    53  -0.11600  1.0 1.0
   33    45    52    53  -0.09450 -1.0 2.0
   33    45    52    53   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    42   0.15000  1.0 3.0
   34    33    45    67   0.15000  1.0 3.0
   34    33    45    52   0.23400  1.0 3.0
   38    33   -45    42   0.34400  1.0 1.0
   38    33   -45    42   0.09450 -1.0 2.0
   38    33   -45    42   0.11100  1.0 3.0
   38    33    45    67   0.34400  1.0 1.0
   38    33    45    67   0.09450 -1.0 2.0
   38    33    45    67   0.11100  1.0 3.0
   38    33    45    52   1.05650  1.0 1.0
   38    33    45    52   0.15600 -1.0 2.0
   38    33    45    52   0.53150  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   38    40    42    46   0.09850  1.0 1.0
   38    40    42    46   0.15250 -1.0 2.0
   38    40    42    46  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    50   0.34400  1.0 1.0
   40    42    43    50   0.09450 -1.0 2.0
   40    42    43    50   0.11100  1.0 3.0
   40    42    43    66   0.61850  1.0 1.0
   40    42    43    66  -0.22750 -1.0 2.0
   40    42    43    66   0.15300  1.0 3.0
   40    42   -45    33   0.34400  1.0 1.0
   40    42   -45    33   0.09450 -1.0 2.0
   40    42   -45    33   0.11100  1.0 3.0
   40    42    45    67   0.34400  1.0 1.0
   40    42    45    67   0.09450 -1.0 2.0
   40    42    45    67   0.11100  1.0 3.0
   40    42    45    52   1.05650  1.0 1.0
   40    42    45    52   0.15600 -1.0 2.0
   40    42    45    52   0.53150  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    49   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   42    43    50    51   0.15000  1.0 3.0
   42    43    50    54   0.34400  1.0 1.0
   42    43    50    54   0.09450 -1.0 2.0
   42    43    50    54   0.11100  1.0 3.0
   42    43    50    55   0.56750  1.0 1.0
   42    43    50    55  -0.07550 -1.0 2.0
   42    43    50    55   0.20000  1.0 3.0
   42    43    66    58  -0.25900  1.0 1.0
   42    43    66    58  -0.47000 -1.0 2.0
   42    43    66    58   0.11750  1.0 3.0
   42    45    52    53  -0.11600  1.0 1.0
   42    45    52    53  -0.09450 -1.0 2.0
   42    45    52    53   0.21250  1.0 3.0
   43    42    45    33   0.56750  1.0 1.0
   43    42    45    33  -0.07550 -1.0 2.0
   43    42    45    33   0.20000  1.0 3.0
   43    42    45    67   0.56750  1.0 1.0
   43    42    45    67  -0.07550 -1.0 2.0
   43    42    45    67   0.20000  1.0 3.0
   43    42    45    52   0.86500  1.0 1.0
   43    42    45    52  -0.17500 -1.0 2.0
   43    42    45    52   0.20800  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    50   -54    58   0.09700  1.0 1.0
   43    50   -54    58   0.15600 -1.0 2.0
   43    50   -54    58  -0.50800  1.0 3.0
   43    50    54    60   0.09850  1.0 1.0
   43    50    54    60   0.15250 -1.0 2.0
   43    50    54    60  -0.50650  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    57   0.15000  1.0 3.0
   43    50    55    63   0.56750  1.0 1.0
   43    50    55    63  -0.07550 -1.0 2.0
   43    50    55    63   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   44    43    66    58   0.08050  1.0 3.0
   50    43   -66    58  -0.25900  1.0 1.0
   50    43   -66    58  -0.47000 -1.0 2.0
   50    43   -66    58   0.11750  1.0 3.0
   50    54    58    59  -0.64400  1.0 1.0
   50    54    58    59   0.26850 -1.0 2.0
   50    54   -58    66  -0.15000  1.0 1.0
   50    54   -58    66   0.89550 -1.0 2.0
   50    54   -58    66  -0.06900  1.0 3.0
   50    54    60    61   7.00000 -1.0 2.0
   50    54    60    62   7.00000 -1.0 2.0
   50    55    63    64   0.15000  1.0 3.0
   50    55    63    65   0.15000  1.0 3.0
   50    55    63    67   0.56750  1.0 1.0
   50    55    63    67  -0.07550 -1.0 2.0
   50    55    63    67   0.20000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    54    60   0.00000  1.0 1.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    63   0.15000  1.0 3.0
   54    50    55    56   0.15000  1.0 3.0
   54    50    55    57   0.15000  1.0 3.0
   54    50    55    63   0.34400  1.0 1.0
   54    50    55    63   0.09450 -1.0 2.0
   54    50    55    63   0.11100  1.0 3.0
   54    58   -66    43   2.00000 -1.0 2.0
   58    54    60    61   7.00000 -1.0 2.0
   58    54    60    62   7.00000 -1.0 2.0
   59    58    66    43   3.00000 -1.0 2.0
   66    43    50    51   0.23400  1.0 3.0
   66    43   -50    54   0.61850  1.0 1.0
   66    43   -50    54  -0.22750 -1.0 2.0
   66    43   -50    54   0.15300  1.0 3.0
   66    43    50    55   0.62750  1.0 1.0
   66    43    50    55  -0.30950 -1.0 2.0
   66    43    50    55   0.27300  1.0 3.0
   60    54    58    59   1.00000 -1.0 2.0
   60    54    58    66  -0.56150  1.0 1.0
   60    54    58    66   2.19150 -1.0 2.0
   55    50    54    58   0.09700  1.0 1.0
   55    50    54    58   0.15600 -1.0 2.0
   55    50    54    58  -0.50800  1.0 3.0
   55    50    54    60   0.09850  1.0 1.0
   55    50    54    60   0.15250 -1.0 2.0
   55    50    54    60  -0.50650  1.0 3.0
   55    63    67    68   0.15000  1.0 3.0
   55    63    67    45   0.56750  1.0 1.0
   55    63    67    45  -0.07550 -1.0 2.0
   55    63    67    45   0.20000  1.0 3.0
   55    63    67    69   0.56750  1.0 1.0
   55    63    67    69  -0.07550 -1.0 2.0
   55    63    67    69   0.20000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    67   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   57    55    63    67   0.15000  1.0 3.0
   63    67    45    33   0.56750  1.0 1.0
   63    67    45    33  -0.07550 -1.0 2.0
   63    67    45    33   0.20000  1.0 3.0
   63    67    45    42   0.56750  1.0 1.0
   63    67    45    42  -0.07550 -1.0 2.0
   63    67    45    42   0.20000  1.0 3.0
   63    67    45    52   0.86500  1.0 1.0
   63    67    45    52  -0.17500 -1.0 2.0
   63    67    45    52   0.20800  1.0 3.0
   63    67    69    70   0.15000  1.0 3.0
   63    67    69    71   0.15000  1.0 3.0
   63    67    69    72   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    45   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    45   0.15000  1.0 3.0
   65    63    67    69   0.15000  1.0 3.0
   67    45    52    53  -0.11600  1.0 1.0
   67    45    52    53  -0.09450 -1.0 2.0
   67    45    52    53   0.21250  1.0 3.0
   68    67    45    33   0.15000  1.0 3.0
   68    67    45    42   0.15000  1.0 3.0
   68    67    45    52   0.23400  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40   0.09850  1.0 1.0
   45    33   -38    40   0.15250 -1.0 2.0
   45    33   -38    40  -0.50650  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    50   0.56750  1.0 1.0
   45    42    43    50  -0.07550 -1.0 2.0
   45    42    43    50   0.20000  1.0 3.0
   45    42    43    66   0.62750  1.0 1.0
   45    42    43    66  -0.30950 -1.0 2.0
   45    42    43    66   0.27300  1.0 3.0
   45    42    46    47   0.15000  1.0 3.0
   45    42    46    48   0.15000  1.0 3.0
   45    42    46    49   0.15000  1.0 3.0
   45    67    69    70   0.15000  1.0 3.0
   45    67    69    71   0.15000  1.0 3.0
   45    67    69    72   0.15000  1.0 3.0
   69    67    45    33   0.56750  1.0 1.0
   69    67    45    33  -0.07550 -1.0 2.0
   69    67    45    33   0.20000  1.0 3.0
   69    67    45    42   0.56750  1.0 1.0
   69    67    45    42  -0.07550 -1.0 2.0
   69    67    45    42   0.20000  1.0 3.0
   69    67    45    52   0.86500  1.0 1.0
   69    67    45    52  -0.17500 -1.0 2.0
   69    67    45    52   0.20800  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    50   0.56750  1.0 1.0
   46    42    43    50  -0.07550 -1.0 2.0
   46    42    43    50   0.20000  1.0 3.0
   46    42    43    66   0.62750  1.0 1.0
   46    42    43    66  -0.30950 -1.0 2.0
   46    42    43    66   0.27300  1.0 3.0
   46    42    45    33   0.56750  1.0 1.0
   46    42    45    33  -0.07550 -1.0 2.0
   46    42    45    33   0.20000  1.0 3.0
   46    42    45    67   0.56750  1.0 1.0
   46    42    45    67  -0.07550 -1.0 2.0
   46    42    45    67   0.20000  1.0 3.0
   46    42    45    52   0.86500  1.0 1.0
   46    42    45    52  -0.17500 -1.0 2.0
   46    42    45    52   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   50    58    54    60   1.10000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
   61    62    60    54   1.10000 -1.0 2.0
END
