* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    150    242     452
    1     0 S   NP   _N1_     1    29.13603    92.60114   -22.31119
    2     1 S   H    _HN1     2     1.02773    99.55390   -78.65721
    3     1 S   H    _H1_     3     1.02969    95.51440    31.00263
    4     1 S   H    _H2_     4     1.02824    18.04980   161.79809
    5     1 S   CT   _CA1     5     1.50156   128.62773   152.55840
    6     5 S   HC   _HA1     6     1.09581   105.19369    62.16988
    7     5 S   CO3  _C1_     7     1.53780   112.45621   -57.84539
    8     7 S   O2Z  _O11     8     1.26348   115.02918   -41.24582
    9     7 S   O2Z  _O12     9     1.26255   114.91547   137.81772
   10     5 S   CT   _CB1    10     1.53069   107.33978   179.93744
   11    10 S   HC   HB11    11     1.09819   109.13515   -51.65794
   12    10 S   HC   HB12    12     1.09819   110.40985    64.76839
   13    10 S   CT   _CG1    13     1.53013   112.84652  -172.92734
   14    13 S   HC   HG11    14     1.09595   110.26583   -65.06839
   15    13 S   HC   HG12    15     1.09638   110.16333    54.18399
   16    13 S   C    _CD1    16     1.51792   112.22831   174.26035
   17    16 S   O    _OE1    17     1.22744   123.20797    -9.46635
   18    16 S   N    _N2_    18     1.38684   111.78096   171.35475
   19    18 S   H    _HN2    19     1.01579   119.14005     1.31879
   20    18 S   CT1  _CA2    20     1.46059   123.15840  -178.97092
   21    20 S   HC   _HA2    21     1.09577   109.23561    -7.55419
   22    20 S   C    _C2_    22     1.53449   108.95866  -122.76108
   23    22 S   O    _O2_    23     1.23042   122.04645  -148.38478
   24    20 S   CT   _CB2    32     1.53464   111.81205   114.64948
   25    24 S   HC   HB21    33     1.09659   109.54125    64.49195
   26    24 S   HC   HB22    34     1.09577   110.79203  -178.30257
   27    22 S   N    _N3_    24     1.38455   113.55987    39.17342
   28    27 S   H    _HN3    25     1.01512   118.93107    -0.77758
   29    24 S   S    _SG2    35     1.82865   114.93566   -55.22509
   30    27 S   CT   _CA3    26     1.45445   123.45784   174.86386
   31    30 S   HC   HA31    27     1.09523   109.24081    24.51278
   32    30 S   HC   HA32    28     1.09495   107.12960   141.53165
   33    29 S   CT   _C18    36     1.82508   100.00530   -66.71358
   34    33 S   HC   _H3_    37     1.09429   107.58314   -60.30714
   35    33 S   HC   _H4_    38     1.09318   109.37874    57.50814
   36    30 S   CO3  _C3_    29     1.52927   113.08398   -98.95305
   37    36 S   O2Z  _O31    30     1.26406   115.40308   -44.48165
   38    36 S   O2Z  _O32    31     1.26354   114.98347   136.42995
   39    33 S   CT   _C10    39     1.52635   110.76324   178.95470
   40    39 S   HC   _H30    40     1.09715   112.27240    44.32403
   41    39 S   CO4  _C4_    41     1.52677   113.68427   -79.68141
   42    41 S   O    _O16    42     1.22077   126.59497    41.15099
   43    41 S   OS   _O17    43     1.37917   109.62985  -139.42574
   44    43 S   CT   _C13    44     1.42523   107.74758    -7.97644
   45    44 S   HC   _H33    45     1.09656   106.49982   -83.99447
   46    39 S   CT   _C11    46     1.52126   111.98906   169.32410
   47    46 S   HC   _H31    47     1.10208   107.87119    44.63557
   48    46 S   CT   _C6_    48     1.51878   119.19128   -79.01057
   49    48 S   HC   _H22    49     1.09567   110.28614    65.63244
   50    48 S   HC   _H23    50     1.09558   110.80215   -52.31346
   51    48 S   CT   _C8_    51     1.54086   109.27985  -174.25512
   52    51 S   HC   _H26    52     1.09720   109.16052   177.76148
   53    51 S   HC   _H27    53     1.09852   108.13194   -67.32193
   54    51 S   CT   _C14    54     1.56476   113.61293    54.01108
   55    54 S   CT   _C7_    55     1.54747   109.26737  -171.75559
   56    55 S   HC   _H24    56     1.09820   109.53645    51.13229
   57    55 S   HC   _H25    57     1.09722   110.32767   -65.43933
   58    54 S   CT   _C16    73     1.54832   106.81268    71.03529
   59    58 S   HC   _H34    74     1.09250   113.01432   -68.22275
   60    58 S   HC   _H35    75     1.08931   113.25876   169.29873
   61    58 S   HC   _H36    76     1.09727   110.31306    51.14403
   62    55 S   CT   _C5_    58     1.53030   113.01301   171.94261
   63    62 S   HC   _H20    59     1.09469   110.75887    67.22745
   64    62 S   HC   _H21    60     1.09665   108.90074  -176.54328
   65    62 S   CT   _C9_    61     1.52464   111.93404   -55.97267
   66    65 S   HC   _H28    62     1.09758   109.64779   177.94796
   67    65 S   HC   _H29    63     1.09919   108.47412   -68.03682
   68    65 S   CT   _C15    64     1.54174   114.29802    53.69135
   69    44 S   CT   _C12    65     1.53762   116.47551   152.78704
   70    69 S   HC   _H32    66     1.10392   104.89563   -63.12197
   71    68 S   CT   _C17    67     1.53094   111.78718    80.08984
   72    71 S   HC   _H37    68     1.09484   111.37691   179.17576
   73    71 S   HC   _H38    69     1.09718   110.36816    62.27904
   74    71 S   HC   _H39    70     1.08865   113.59755   -57.71718
   75    68 S   OH   _O18    71     1.44057   106.20016  -165.02322
   76    75 S   HO   _H42    72     0.97245   108.17753   -58.37792
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  16   7  11   5   9
   5   4  14   5   4  16  15   7   6   7   3   2   1   9   5   4
  11   5   4   8   7   2   5   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    48  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    50    51    69  
   41    42    43    44    46    47    48  
   42    43    44    45    46    47    48    69  
   43    44    46  
   44    45    46    47    48    54    68    69    70  
   45    46    47    48    49    50    51    54    55    65    68    69    70    71    75    58  
   46    47    48    54    68    69    70  
   47    48    49    50    51    52    53    54    68    69    70  
   48    49    50    51    69  
   49    50    51    52    53    54    55    69    58  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    62    68    69    70    58    59    60    61  
   53    54    55    69    58  
   54    55    69    58  
   55    56    57    62    63    64    65    68    69    70    71    75    58    59    60    61  
   56    57    62    63    64    65    66    67    68    69    70    58    59    60    61  
   57    62    63    64    65    69    58  
   62    63    64    65    69    58  
   59    60    61    62    68    69    70  
   60    61    69  
   61    69  
   69  
   63    64    65    66    67    68    69    71    75  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    72    73    74    75    76  
   67    68    69    71    75  
   68    69    71    75  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    75  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75  
   76  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    69   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    69   268.000  1.529
   54    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   268.000  1.529
   68    71   268.000  1.529
   68    75   320.000  1.410
   69    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    48    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    69    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    69    54    58.35000  112.70000
   44    69    68    58.35000  112.70000
   44    69    70    37.50000  110.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    58.35000  112.70000
   51    54    69    58.35000  112.70000
   51    54    58    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    57    37.50000  110.70000
   54    55    62    58.35000  112.70000
   54    69    68    58.35000  112.70000
   54    69    70    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    58.35000  112.70000
   65    68    71    58.35000  112.70000
   65    68    75    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   68    75    76    55.00000  108.50000
   69    44    45    37.50000  110.70000
   69    44    46    58.35000  112.70000
   69    54    55    58.35000  112.70000
   71    68    69    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    69    50.00000  109.50000
   75    68    71    50.00000  109.50000
   58    54    55    58.35000  112.70000
   58    54    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.56750  1.0 1.0
   33    39    46    48  -0.07550 -1.0 2.0
   33    39    46    48   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    48    49   0.15000  1.0 3.0
   39    46    48    50   0.15000  1.0 3.0
   39    46    48    51   0.56750  1.0 1.0
   39    46    48    51  -0.07550 -1.0 2.0
   39    46    48    51   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    48  -0.95700  1.0 1.0
   41    39    46    48  -0.18200 -1.0 2.0
   41    39    46    48   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    69  -0.25900  1.0 1.0
   41    43    44    69  -0.47000 -1.0 2.0
   41    43    44    69   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.62750  1.0 1.0
   43    44    46    48  -0.30950 -1.0 2.0
   43    44    46    48   0.27300  1.0 3.0
   43    44    69    54   0.62750  1.0 1.0
   43    44    69    54  -0.30950 -1.0 2.0
   43    44    69    54   0.27300  1.0 3.0
   43    44    69    68   0.62750  1.0 1.0
   43    44    69    68  -0.30950 -1.0 2.0
   43    44    69    68   0.27300  1.0 3.0
   43    44    69    70   0.23400  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    51   0.56750  1.0 1.0
   44    46    48    51  -0.07550 -1.0 2.0
   44    46    48    51   0.20000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    69    54   0.15000  1.0 3.0
   45    44    69    68   0.15000  1.0 3.0
   45    44    69    70   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    69    54   0.56750  1.0 1.0
   46    44    69    54  -0.07550 -1.0 2.0
   46    44    69    54   0.20000  1.0 3.0
   46    44    69    68   0.56750  1.0 1.0
   46    44    69    68  -0.07550 -1.0 2.0
   46    44    69    68   0.20000  1.0 3.0
   46    44    69    70   0.15000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48   -51    54   0.56750  1.0 1.0
   46    48   -51    54  -0.07550 -1.0 2.0
   46    48   -51    54   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    54    55   0.56750  1.0 1.0
   48    51    54    55  -0.07550 -1.0 2.0
   48    51    54    55   0.20000  1.0 3.0
   48    51    54    69   0.56750  1.0 1.0
   48    51    54    69  -0.07550 -1.0 2.0
   48    51    54    69   0.20000  1.0 3.0
   48    51    54    58   0.56750  1.0 1.0
   48    51    54    58  -0.07550 -1.0 2.0
   48    51    54    58   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54    55    56   0.15000  1.0 3.0
   51    54    55    57   0.15000  1.0 3.0
   51    54    55    62   0.56750  1.0 1.0
   51    54    55    62  -0.07550 -1.0 2.0
   51    54    55    62   0.20000  1.0 3.0
   51    54   -69    44   0.56750  1.0 1.0
   51    54   -69    44  -0.07550 -1.0 2.0
   51    54   -69    44   0.20000  1.0 3.0
   51    54    69    68   0.56750  1.0 1.0
   51    54    69    68  -0.07550 -1.0 2.0
   51    54    69    68   0.20000  1.0 3.0
   51    54    69    70   0.15000  1.0 3.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.15000  1.0 3.0
   51    54    58    61   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    69   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    69   0.15000  1.0 3.0
   53    51    54    58   0.15000  1.0 3.0
   54    55    62    63   0.15000  1.0 3.0
   54    55    62    64   0.15000  1.0 3.0
   54    55    62    65   0.56750  1.0 1.0
   54    55    62    65  -0.07550 -1.0 2.0
   54    55    62    65   0.20000  1.0 3.0
   55    54    69    44   0.56750  1.0 1.0
   55    54    69    44  -0.07550 -1.0 2.0
   55    54    69    44   0.20000  1.0 3.0
   55    54    69    68   0.56750  1.0 1.0
   55    54    69    68  -0.07550 -1.0 2.0
   55    54    69    68   0.20000  1.0 3.0
   55    54    69    70   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    62    65    66   0.15000  1.0 3.0
   55    62    65    67   0.15000  1.0 3.0
   55    62   -65    68   0.56750  1.0 1.0
   55    62   -65    68  -0.07550 -1.0 2.0
   55    62   -65    68   0.20000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    65   0.15000  1.0 3.0
   62    65    68    69   0.56750  1.0 1.0
   62    65    68    69  -0.07550 -1.0 2.0
   62    65    68    69   0.20000  1.0 3.0
   62    65    68    71   0.56750  1.0 1.0
   62    65    68    71  -0.07550 -1.0 2.0
   62    65    68    71   0.20000  1.0 3.0
   62    65    68    75   0.86500  1.0 1.0
   62    65    68    75  -0.17500 -1.0 2.0
   62    65    68    75   0.20800  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    69    44   0.56750  1.0 1.0
   65    68    69    44  -0.07550 -1.0 2.0
   65    68    69    44   0.20000  1.0 3.0
   65    68   -69    54   0.56750  1.0 1.0
   65    68   -69    54  -0.07550 -1.0 2.0
   65    68   -69    54   0.20000  1.0 3.0
   65    68    69    70   0.15000  1.0 3.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    73   0.15000  1.0 3.0
   65    68    71    74   0.15000  1.0 3.0
   65    68    75    76  -0.11600  1.0 1.0
   65    68    75    76  -0.09450 -1.0 2.0
   65    68    75    76   0.21250  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   66    65    68    75   0.23400  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   67    65    68    75   0.23400  1.0 3.0
   69    44    46    39   0.56750  1.0 1.0
   69    44    46    39  -0.07550 -1.0 2.0
   69    44    46    39   0.20000  1.0 3.0
   69    44    46    47   0.15000  1.0 3.0
   69    44   -46    48   0.56750  1.0 1.0
   69    44   -46    48  -0.07550 -1.0 2.0
   69    44   -46    48   0.20000  1.0 3.0
   69    54    55    56   0.15000  1.0 3.0
   69    54    55    57   0.15000  1.0 3.0
   69    54   -55    62   0.56750  1.0 1.0
   69    54   -55    62  -0.07550 -1.0 2.0
   69    54   -55    62   0.20000  1.0 3.0
   69    54    58    59   0.15000  1.0 3.0
   69    54    58    60   0.15000  1.0 3.0
   69    54    58    61   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   69    68    75    76  -0.11600  1.0 1.0
   69    68    75    76  -0.09450 -1.0 2.0
   69    68    75    76   0.21250  1.0 3.0
   71    68    69    44   0.56750  1.0 1.0
   71    68    69    44  -0.07550 -1.0 2.0
   71    68    69    44   0.20000  1.0 3.0
   71    68    69    54   0.56750  1.0 1.0
   71    68    69    54  -0.07550 -1.0 2.0
   71    68    69    54   0.20000  1.0 3.0
   71    68    69    70   0.15000  1.0 3.0
   71    68    75    76  -0.11600  1.0 1.0
   71    68    75    76  -0.09450 -1.0 2.0
   71    68    75    76   0.21250  1.0 3.0
   75    68    69    44   0.86500  1.0 1.0
   75    68    69    44  -0.17500 -1.0 2.0
   75    68    69    44   0.20800  1.0 3.0
   75    68    69    54   0.86500  1.0 1.0
   75    68    69    54  -0.17500 -1.0 2.0
   75    68    69    54   0.20800  1.0 3.0
   75    68    69    70   0.23400  1.0 3.0
   75    68    71    72   0.23400  1.0 3.0
   75    68    71    73   0.23400  1.0 3.0
   75    68    71    74   0.23400  1.0 3.0
   58    54    55    56   0.15000  1.0 3.0
   58    54    55    57   0.15000  1.0 3.0
   58    54    55    62   0.56750  1.0 1.0
   58    54    55    62  -0.07550 -1.0 2.0
   58    54    55    62   0.20000  1.0 3.0
   58    54    69    44   0.56750  1.0 1.0
   58    54    69    44  -0.07550 -1.0 2.0
   58    54    69    44   0.20000  1.0 3.0
   58    54    69    68   0.56750  1.0 1.0
   58    54    69    68  -0.07550 -1.0 2.0
   58    54    69    68   0.20000  1.0 3.0
   58    54    69    70   0.15000  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
