* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    150    242     452
    1     0 S   NP   _N1_     1    28.95416    94.11425   -22.95458
    2     1 S   H    _HN1     2     1.02779   102.83357   -83.68262
    3     1 S   H    _H1_     3     1.02958    84.97499    24.00232
    4     1 S   H    _H2_     4     1.02837    26.15984   171.80085
    5     1 S   CT   _CA1     5     1.50114   133.53671   137.53428
    6     5 S   HC   _HA1     6     1.09575   105.22824    74.51868
    7     5 S   CO3  _C1_     7     1.53775   112.39381   -45.69943
    8     7 S   O2Z  _O11     8     1.26359   114.99639   -44.02037
    9     7 S   O2Z  _O12     9     1.26237   114.91765   135.16466
   10     5 S   CT   _CB1    10     1.53097   107.44251  -167.56944
   11    10 S   HC   HB11    11     1.09827   109.31904   -50.80347
   12    10 S   HC   HB12    12     1.09819   110.43223    65.74495
   13    10 S   CT   _CG1    13     1.53021   112.67287  -171.89124
   14    13 S   HC   HG11    14     1.09593   110.48116   -64.39647
   15    13 S   HC   HG12    15     1.09656   109.94584    54.83528
   16    13 S   C    _CD1    16     1.51811   112.30201   175.19511
   17    16 S   O    _OE1    17     1.22733   123.24773     0.03426
   18    16 S   N    _N2_    18     1.38655   111.66705  -179.86878
   19    18 S   H    _HN2    19     1.01590   119.04975     0.88160
   20    18 S   CT1  _CA2    20     1.46090   123.34101   179.28018
   21    20 S   HC   _HA2    21     1.09592   109.28219    -6.62969
   22    20 S   C    _C2_    22     1.53495   108.78999  -121.74395
   23    22 S   O    _O2_    23     1.23036   122.07465  -148.07742
   24    20 S   CT   _CB2    32     1.53361   111.71365   115.77643
   25    24 S   HC   HB21    33     1.09652   109.66680    60.61250
   26    24 S   HC   HB22    34     1.09569   110.93855   178.00826
   27    22 S   N    _N3_    24     1.38459   113.54025    39.51847
   28    27 S   H    _HN3    25     1.01504   118.94893    -0.91813
   29    24 S   S    _SG2    35     1.82861   114.62649   -59.35751
   30    27 S   CT   _CA3    26     1.45458   123.54234   174.67373
   31    30 S   HC   HA31    27     1.09515   109.33062    22.55703
   32    30 S   HC   HA32    28     1.09496   107.09988   139.61923
   33    29 S   CT   _C18    36     1.82676    99.77219   -66.48673
   34    33 S   HC   _H3_    37     1.09450   108.30542   -49.59400
   35    33 S   HC   _H4_    38     1.09194   107.36460    67.87349
   36    30 S   CO3  _C3_    29     1.52938   113.05546  -100.95519
   37    36 S   O2Z  _O31    30     1.26408   115.41279   -43.27698
   38    36 S   O2Z  _O32    31     1.26353   114.96980   137.61599
   39    33 S   CT   _C10    39     1.52881   111.04491  -172.01849
   40    39 S   HC   _H30    40     1.09637   111.74203   -47.11225
   41    39 S   CO4  _C4_    41     1.52373   112.03207    76.40204
   42    41 S   O    _O16    42     1.22146   125.79537   -76.78409
   43    41 S   OS   _O17    43     1.37676   110.28246   103.30379
   44    43 S   CT   _C13    44     1.42572   108.22756    -8.33574
   45    44 S   HC   _H33    45     1.09553   106.64175   -86.00743
   46    39 S   CT   _C11    46     1.52429   115.14110  -171.59361
   47    46 S   HC   _H31    47     1.10281   105.75182   163.30812
   48    46 S   CT   _C6_    48     1.51921   121.26377    41.32148
   49    48 S   HC   _H22    49     1.09589   110.02435    61.85595
   50    48 S   HC   _H23    50     1.09480   111.41274   -56.55489
   51    48 S   CT   _C8_    51     1.54105   109.21419  -177.88604
   52    51 S   HC   _H26    52     1.09722   109.15871   178.02068
   53    51 S   HC   _H27    53     1.09846   108.24512   -66.98484
   54    51 S   CT   _C14    54     1.56487   113.43287    54.41007
   55    54 S   CT   _C7_    55     1.54746   109.21500  -172.20376
   56    55 S   HC   _H24    56     1.09821   109.53111    51.07927
   57    55 S   HC   _H25    57     1.09723   110.31846   -65.48522
   58    54 S   CT   _C16    73     1.54839   106.88261    70.55435
   59    58 S   HC   _H34    74     1.09255   113.01411   -68.86064
   60    58 S   HC   _H35    75     1.08940   113.24731   168.70631
   61    58 S   HC   _H36    76     1.09725   110.32482    50.56083
   62    55 S   CT   _C5_    58     1.53023   113.03357   171.89564
   63    62 S   HC   _H20    59     1.09468   110.76997    67.27564
   64    62 S   HC   _H21    60     1.09666   108.89996  -176.49619
   65    62 S   CT   _C9_    61     1.52453   111.92820   -55.92702
   66    65 S   HC   _H28    62     1.09758   109.64625   177.94624
   67    65 S   HC   _H29    63     1.09920   108.47576   -68.04224
   68    65 S   CT   _C15    64     1.54173   114.30157    53.68728
   69    44 S   CT   _C12    65     1.53926   116.13067   151.16152
   70    69 S   HC   _H32    66     1.10391   104.87139   -62.57305
   71    68 S   CT   _C17    67     1.53097   111.78886    80.04041
   72    71 S   HC   _H37    68     1.09485   111.37428   178.94984
   73    71 S   HC   _H38    69     1.09719   110.36588    62.06733
   74    71 S   HC   _H39    70     1.08864   113.60120   -57.94193
   75    68 S   OH   _O18    71     1.44050   106.18273  -165.08900
   76    75 S   HO   _H42    72     0.97247   108.19198   -58.37568
  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
