* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    163    257     485
    1     0 S   NP   _N1_     1    28.69805    95.36593   -20.51277
    2     1 S   H    _HN1     2     1.02777    84.23129   -64.50619
    3     1 S   H    _H1_     3     1.02967    91.12375    43.78875
    4     1 S   H    _H2_     4     1.02835    35.12525   162.58863
    5     1 S   CT   _CA1     5     1.50117   145.49940   173.84951
    6     5 S   HC   _HA1     6     1.09577   105.26828    52.21967
    7     5 S   CO3  _C1_     7     1.53802   112.31269   -68.00228
    8     7 S   O2Z  _O11     8     1.26348   115.00651   -45.27407
    9     7 S   O2Z  _O12     9     1.26244   114.90718   133.90680
   10     5 S   CT   _CB1    10     1.53082   107.40387   170.08357
   11    10 S   HC   HB11    11     1.09818   109.33496   -51.31422
   12    10 S   HC   HB12    12     1.09836   110.39919    65.21146
   13    10 S   CT   _CG1    13     1.53011   112.69565  -172.52089
   14    13 S   HC   HG11    14     1.09600   110.22787   -61.59949
   15    13 S   HC   HG12    15     1.09622   110.23336    57.62885
   16    13 S   C    _CD1    16     1.51792   112.11822   177.83662
   17    16 S   O    _OE1    17     1.22737   123.16586   -12.63267
   18    16 S   N    _N2_    18     1.38608   111.72943   167.83992
   19    18 S   H    _HN2    19     1.01591   119.02058     1.59287
   20    18 S   CT1  _CA2    20     1.46287   123.39014  -176.60396
   21    20 S   HC   _HA2    21     1.09731   109.31504   -17.43829
   22    20 S   C    _C2_    22     1.53354   108.32880  -133.28902
   23    22 S   O    _O2_    23     1.23003   122.28632  -145.56664
   24    20 S   CT   _CB2    32     1.53516   111.20665   104.61346
   25    24 S   HC   HB21    33     1.09591   109.55829    54.94666
   26    24 S   HC   HB22    34     1.09495   110.77210   173.82727
   27    22 S   N    _N3_    24     1.38521   113.29169    41.78721
   28    27 S   H    _HN3    25     1.01537   118.90762    -0.53995
   29    24 S   S    _SG2    35     1.82774   111.58090   -66.38075
   30    27 S   CT   _CA3    26     1.45449   123.41930   175.10347
   31    30 S   HC   HA31    27     1.09526   109.19921    24.98775
   32    30 S   HC   HA32    28     1.09495   107.12809   141.99004
   33    29 S   CT   _C18    36     1.83311    99.69191   154.79212
   34    33 S   HC   _H3_    37     1.09582   109.13565   -47.32422
   35    30 S   CO3  _C3_    29     1.52932   113.15678   -98.46020
   36    35 S   O2Z  _O31    30     1.26399   115.42693   -43.82436
   37    35 S   O2Z  _O32    31     1.26359   114.96717   137.11888
   38    33 S   CT   _C11    38     1.53319   107.29557    73.35164
   39    38 S   HC   _H31    39     1.09533   113.77262    32.41192
   40    38 S   HC   _H32    40     1.09357   111.45486   -93.30463
   41    38 S   CO4  _C6_    41     1.50229   103.33623   148.43561
   42    41 S   O    _O22    42     1.22607   122.62955   175.63668
   43    41 S   CT   _C19    43     1.52835   112.71012    -2.60384
   44    33 S   CT   _C13    44     1.55275   114.87554  -170.82581
   45    44 S   HC   _H34    45     1.10012   105.38500   -42.88740
   46    43 S   CT   _C16    61     1.54801   109.39064  -141.01336
   47    46 S   HC   _H37    62     1.09893   107.19319   -49.78673
   48    43 S   CT   _C23    83     1.54011   103.23430    97.63599
   49    48 S   HC   _H49    84     1.08773   113.47828  -166.47582
   50    48 S   HC   _H50    85     1.09663   110.65986    72.19818
   51    48 S   HC   _H51    86     1.09659   112.09090   -45.99760
   52    44 S   CT   _C14    46     1.55770   118.89084    76.45793
   53    52 S   HC   _H35    47     1.09458   109.87106    72.34709
   54    46 S   OS   _O26    63     1.45835   107.76759    65.07959
   55    52 S   CT   _C17    48     1.55980   109.93759  -167.74386
   56    55 S   HC   _H38    49     1.09650   109.59853    46.60420
   57    54 S   CO4  _C10    64     1.36047   118.20843  -145.07964
   58    57 S   O    _O23    65     1.21878   126.79919    -1.21079
   59    52 S   CT   _C22    79     1.53874   113.35839   -43.68168
   60    59 S   HC   _H46    80     1.09440   111.50344   -61.04820
   61    59 S   HC   _H47    81     1.09543   111.56098   178.45086
   62    59 S   HC   _H48    82     1.09351   111.20192    61.72534
   63    55 S   CT   _C15    50     1.53480   116.67331   -78.80156
   64    63 S   HC   _H36    51     1.10146   106.54325  -164.91995
   65    57 S   CM   _C8_    66     1.48175   107.01532   178.33846
   66    65 S   HC   _H30    67     1.08782   115.08524   -21.17726
   67    55 S   OH   _O25    77     1.43825   108.63144   161.74694
   68    67 S   HO   _H52    78     0.97230   107.97162  -169.45340
   69    63 S   CT   _C12    52     1.52398   120.48182    72.92022
   70    69 S   HC   _H33    53     1.09948   106.00714    97.79956
   71    65 S   CM   _C9_    68     1.34545   125.48048   159.89949
   72    69 S   CM   _C4_    54     1.49373   100.20919  -150.12194
   73    71 S   CT   _C20    69     1.50719   119.79769   177.45886
   74    73 S   HC   _H40    70     1.09499   110.31871   118.37071
   75    73 S   HC   _H41    71     1.09522   112.44690    -1.79559
   76    73 S   HC   _H42    72     1.09507   110.16491  -121.79079
   77    71 S   CT   _C21    73     1.50340   126.17216    -3.25534
   78    77 S   HC   _H43    74     1.09456   110.14790   105.34036
   79    77 S   HC   _H44    75     1.09168   113.52664   -16.68496
   80    77 S   HC   _H45    76     1.09584   110.11915  -135.44045
   81    72 S   CO4  _C5_    55     1.47451   109.88772    16.59939
   82    81 S   O    _O21    56     1.21715   127.14550   173.89648
   83    72 S   CM   _C7_    58     1.33604   128.14089  -161.68901
   84    83 S   HC   _H28    59     1.08528   120.76444    -0.83509
   85    83 S   HC   _H29    60     1.08511   121.79484   179.09539
   86    63 S   OS   _O24    57     1.44256   110.56913   -52.41840
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  18  19   6  19   7   6
   2   1   1  13   8   9  14   7   7   3   5   2   1   1  10   6
  10   3   3   1   8   4   8   6   7   3   2   1   3   2   1   1
   5   2   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    59    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    69    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    63    69    70    72    46    47    54    57    59    48    49    50    51  
   45    52    53    55    56    63    69    46    47    54    67    59    60    61    62    48    49    50    51  
   52    53    55    46    59    48  
   47    54    57    58    65    48    49    50    51    52    55    63    64    69    70    72    81    83    86  
   54    57    48    63    69    70    72  
   49    50    51    52    54    69  
   50    51  
   51  
    0  
   53    55    56    63    64    69    86    67    68    59    60    61    62  
   55    56    63    67    59    60    61    62  
   57    58    65    66    71    63    69    70    72  
   56    63    64    69    70    72    81    86    67    68    59    60    61    62  
   63    64    69    86    67    68    59  
   58    65    66    71    73    77    69  
   65    66    71  
   60    61    62    63    67  
   61    62  
   62  
    0  
   64    69    70    72    81    82    86    83    67    68  
   69    70    72    81    86    67  
   66    71    73    74    75    76    77    78    79    80  
   71    73    77  
   68    69    86  
    0  
   70    72    81    82    86    83    84    85  
   72    81    86    83  
   73    74    75    76    77    78    79    80  
   81    82    86    83    84    85  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    86    83    84    85  
   86    83  
   84    85    86  
   85  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    59   268.000  1.529
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    67   320.000  1.410
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    86   320.000  1.410
   69    70   340.000  1.090
   69    72   317.000  1.510
   69    46   268.000  1.529
   72    81   320.000  1.462
   72    83   549.000  1.340
   81    82   570.000  1.229
   81    86   214.000  1.327
   83    84   340.000  1.080
   83    85   340.000  1.080
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    57   214.000  1.327
   57    58   570.000  1.229
   57    65   320.000  1.462
   65    66   340.000  1.080
   65    71   549.000  1.340
   71    73   317.000  1.510
   71    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   67    68   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    69    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    58.35000  112.70000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    63    58.35000  112.70000
   52    55    67    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    69    58.35000  112.70000
   55    63    86    50.00000  109.50000
   55    67    68    55.00000  108.50000
   63    55    56    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    72    70.00000  112.02700
   63    69    46    58.35000  112.70000
   63    86    81    83.00000  116.90000
   69    63    64    37.50000  110.70000
   69    72    81    65.00000  116.34900
   69    72    83    70.00000  124.00000
   69    46    47    37.50000  110.70000
   69    46    54    50.00000  109.50000
   72    69    70    35.00000  109.50000
   72    81    82    80.00000  123.72100
   72    81    86    90.00000  111.29400
   72    83    84    35.00000  120.00000
   72    83    85    35.00000  120.00000
   86    63    64    35.00000  109.50000
   86    63    69    50.00000  109.50000
   86    81    82    83.00000  123.40000
   83    72    81    65.00000  118.96000
   85    83    84    35.00000  117.00000
   46    43    44    58.35000  112.70000
   46    69    70    37.50000  110.70000
   46    69    72    70.00000  112.02700
   46    54    57    83.00000  116.90000
   54    46    47    35.00000  109.50000
   54    57    58    83.00000  123.40000
   54    57    65    90.00000  111.29400
   57    65    66    40.00000  117.72500
   57    65    71    65.00000  118.96000
   65    57    58    80.00000  123.72100
   65    71    73    70.00000  124.00000
   65    71    77    70.00000  124.00000
   71    65    66    35.00000  120.00000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   67    55    56    35.00000  109.50000
   67    55    63    50.00000  109.50000
   59    52    53    37.50000  110.70000
   59    52    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55   0.56750  1.0 1.0
   33    44    52    55  -0.07550 -1.0 2.0
   33    44    52    55   0.20000  1.0 3.0
   33    44    52    59   0.56750  1.0 1.0
   33    44    52    59  -0.07550 -1.0 2.0
   33    44    52    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    69  -0.95700  1.0 1.0
   41    43    46    69  -0.18200 -1.0 2.0
   41    43    46    69   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55   0.56750  1.0 1.0
   43    44    52    55  -0.07550 -1.0 2.0
   43    44    52    55   0.20000  1.0 3.0
   43    44    52    59   0.56750  1.0 1.0
   43    44    52    59  -0.07550 -1.0 2.0
   43    44    52    59   0.20000  1.0 3.0
   43    46    54    57  -0.25900  1.0 1.0
   43    46    54    57  -0.47000 -1.0 2.0
   43    46    54    57   0.11750  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    69   0.56750  1.0 1.0
   44    43    46    69  -0.07550 -1.0 2.0
   44    43    46    69   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    63   0.56750  1.0 1.0
   44    52    55    63  -0.07550 -1.0 2.0
   44    52    55    63   0.20000  1.0 3.0
   44    52    55    67   0.86500  1.0 1.0
   44    52    55    67  -0.17500 -1.0 2.0
   44    52    55    67   0.20800  1.0 3.0
   44    52    59    60   0.15000  1.0 3.0
   44    52    59    61   0.15000  1.0 3.0
   44    52    59    62   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   45    44    52    59   0.15000  1.0 3.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    69   0.56750  1.0 1.0
   52    55    63    69  -0.07550 -1.0 2.0
   52    55    63    69   0.20000  1.0 3.0
   52    55    63    86   0.62750  1.0 1.0
   52    55    63    86  -0.30950 -1.0 2.0
   52    55    63    86   0.27300  1.0 3.0
   52    55    67    68  -0.11600  1.0 1.0
   52    55    67    68  -0.09450 -1.0 2.0
   52    55    67    68   0.21250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   53    52    55    67   0.23400  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   55    52    59    60   0.15000  1.0 3.0
   55    52    59    61   0.15000  1.0 3.0
   55    52    59    62   0.15000  1.0 3.0
   55    63    69    70   0.15000  1.0 3.0
   55    63    69    72   0.34400  1.0 1.0
   55    63    69    72   0.09450 -1.0 2.0
   55    63    69    72   0.11100  1.0 3.0
   55    63    69    46   0.56750  1.0 1.0
   55    63    69    46  -0.07550 -1.0 2.0
   55    63    69    46   0.20000  1.0 3.0
   55    63    86    81  -0.25900  1.0 1.0
   55    63    86    81  -0.47000 -1.0 2.0
   55    63    86    81   0.11750  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    69   0.15000  1.0 3.0
   56    55    63    86   0.23400  1.0 3.0
   56    55    67    68   0.19450  1.0 3.0
   63    55    67    68  -0.11600  1.0 1.0
   63    55    67    68  -0.09450 -1.0 2.0
   63    55    67    68   0.21250  1.0 3.0
   63    69   -72    81   0.09700  1.0 1.0
   63    69   -72    81   0.15600 -1.0 2.0
   63    69   -72    81  -0.50800  1.0 3.0
   63    69    72    83   0.09850  1.0 1.0
   63    69    72    83   0.15250 -1.0 2.0
   63    69    72    83  -0.50650  1.0 3.0
   63    69    46    43   0.56750  1.0 1.0
   63    69    46    43  -0.07550 -1.0 2.0
   63    69    46    43   0.20000  1.0 3.0
   63    69    46    47   0.15000  1.0 3.0
   63    69    46    54   0.62750  1.0 1.0
   63    69    46    54  -0.30950 -1.0 2.0
   63    69    46    54   0.27300  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   64    63    69    46   0.15000  1.0 3.0
   64    63    86    81   0.08050  1.0 3.0
   69    63   -86    81  -0.25900  1.0 1.0
   69    63   -86    81  -0.47000 -1.0 2.0
   69    63   -86    81   0.11750  1.0 3.0
   69    72    81    82  -0.64400  1.0 1.0
   69    72    81    82   0.26850 -1.0 2.0
   69    72   -81    86  -0.15000  1.0 1.0
   69    72   -81    86   0.89550 -1.0 2.0
   69    72   -81    86  -0.06900  1.0 3.0
   69    72    83    84   7.00000 -1.0 2.0
   69    72    83    85   7.00000 -1.0 2.0
   69    46    54    57  -0.25900  1.0 1.0
   69    46    54    57  -0.47000 -1.0 2.0
   69    46    54    57   0.11750  1.0 3.0
   70    69    72    81   0.15000  1.0 3.0
   70    69    72    83   0.00000  1.0 1.0
   70    69    46    43   0.15000  1.0 3.0
   70    69    46    47   0.15000  1.0 3.0
   70    69    46    54   0.23400  1.0 3.0
   72    69    46    43   0.34400  1.0 1.0
   72    69    46    43   0.09450 -1.0 2.0
   72    69    46    43   0.11100  1.0 3.0
   72    69    46    47   0.15000  1.0 3.0
   72    69    46    54   0.61850  1.0 1.0
   72    69    46    54  -0.22750 -1.0 2.0
   72    69    46    54   0.15300  1.0 3.0
   72    81   -86    63   2.00000 -1.0 2.0
   81    72    83    84   7.00000 -1.0 2.0
   81    72    83    85   7.00000 -1.0 2.0
   82    81    86    63   3.00000 -1.0 2.0
   86    63    69    70   0.23400  1.0 3.0
   86    63   -69    72   0.61850  1.0 1.0
   86    63   -69    72  -0.22750 -1.0 2.0
   86    63   -69    72   0.15300  1.0 3.0
   86    63    69    46   0.62750  1.0 1.0
   86    63    69    46  -0.30950 -1.0 2.0
   86    63    69    46   0.27300  1.0 3.0
   83    72    81    82   1.00000 -1.0 2.0
   83    72    81    86  -0.56150  1.0 1.0
   83    72    81    86   2.19150 -1.0 2.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    69    72    81   0.09700  1.0 1.0
   46    69    72    81   0.15600 -1.0 2.0
   46    69    72    81  -0.50800  1.0 3.0
   46    69    72    83   0.09850  1.0 1.0
   46    69    72    83   0.15250 -1.0 2.0
   46    69    72    83  -0.50650  1.0 3.0
   46    54    57    58   3.00000 -1.0 2.0
   46    54    57    65   2.00000 -1.0 2.0
   47    46    54    57   0.08050  1.0 3.0
   54    57    65    66   1.63100 -1.0 2.0
   54    57    65    71  -0.56150  1.0 1.0
   54    57    65    71   2.19150 -1.0 2.0
   57    65    71    73   7.00000 -1.0 2.0
   57    65    71    77   7.00000 -1.0 2.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    71   1.00000 -1.0 2.0
   65    71    73    74   0.00000  1.0 1.0
   65    71    73    75   0.00000  1.0 1.0
   65    71    73    76   0.00000  1.0 1.0
   65    71    77    78   0.00000  1.0 1.0
   65    71    77    79   0.00000  1.0 1.0
   65    71    77    80   0.00000  1.0 1.0
   66    65    71    73   7.00000 -1.0 2.0
   66    65    71    77   7.00000 -1.0 2.0
   73    71    77    78   0.34800  1.0 3.0
   73    71    77    79   0.34800  1.0 3.0
   73    71    77    80   0.34800  1.0 3.0
   77    71    73    74   0.34800  1.0 3.0
   77    71    73    75   0.34800  1.0 3.0
   77    71    73    76   0.34800  1.0 3.0
   67    55    63    64   0.23400  1.0 3.0
   67    55    63    69   0.86500  1.0 1.0
   67    55    63    69  -0.17500 -1.0 2.0
   67    55    63    69   0.20800  1.0 3.0
   67    55    63    86   3.69350  1.0 1.0
   67    55    63    86  -1.82950 -1.0 2.0
   59    52    55    56   0.15000  1.0 3.0
   59    52    55    63   0.56750  1.0 1.0
   59    52    55    63  -0.07550 -1.0 2.0
   59    52    55    63   0.20000  1.0 3.0
   59    52    55    67   0.86500  1.0 1.0
   59    52    55    67  -0.17500 -1.0 2.0
   59    52    55    67   0.20800  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    69   0.56750  1.0 1.0
   48    43    46    69  -0.07550 -1.0 2.0
   48    43    46    69   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  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
   38    43    41    42  10.50000 -1.0 2.0
   69    81    72    83   1.10000 -1.0 2.0
   72    86    81    82  10.50000 -1.0 2.0
   84    85    83    72   1.10000 -1.0 2.0
   54    65    57    58  10.50000 -1.0 2.0
   57    66    65    71  15.00000 -1.0 2.0
   73    77    71    65  15.00000 -1.0 2.0
END
