* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    174    259     517
    1     0 S   NP   _N1_     1    28.69859    96.37574   -24.44348
    2     1 S   H    _HN1     2     1.02785   109.61677   -85.08298
    3     1 S   H    _H1_     3     1.02950    70.18364    18.04197
    4     1 S   H    _H2_     4     1.02829    38.51926  -179.43733
    5     1 S   CT   _CA1     5     1.50112   135.00222   117.46244
    6     5 S   HC   _HA1     6     1.09573   105.20076    95.65770
    7     5 S   CO3  _C1_     7     1.53795   112.46729   -24.58537
    8     7 S   O2Z  _O11     8     1.26373   115.00732   -42.34007
    9     7 S   O2Z  _O12     9     1.26242   114.95009   136.80942
   10     5 S   CT   _CB1    10     1.53081   107.42208  -146.34787
   11    10 S   HC   HB11    11     1.09832   109.39093   -49.64953
   12    10 S   HC   HB12    12     1.09813   110.43654    66.96513
   13    10 S   CT   _CG1    13     1.52984   112.59828  -170.63015
   14    13 S   HC   HG11    14     1.09585   110.61444   -65.27009
   15    13 S   HC   HG12    15     1.09669   109.80544    53.96168
   16    13 S   C    _CD1    16     1.51796   112.25426   174.42581
   17    16 S   O    _OE1    17     1.22727   123.30087     6.02548
   18    16 S   N    _N2_    18     1.38651   111.64013  -174.06360
   19    18 S   H    _HN2    19     1.01577   118.92414     1.98011
   20    18 S   CT1  _CA2    20     1.46207   123.41869   178.02900
   21    20 S   HC   _HA2    21     1.09736   109.38236     2.79666
   22    20 S   C    _C2_    22     1.53542   108.63750  -112.73961
   23    22 S   O    _O2_    23     1.23063   122.27086  -147.78339
   24    20 S   CT   _CB2    32     1.53370   111.50524   124.81861
   25    24 S   HC   HB21    33     1.09570   109.94410    56.20466
   26    24 S   HC   HB22    34     1.09423   109.95870   175.27279
   27    22 S   N    _N3_    24     1.38324   113.71431    39.64840
   28    27 S   H    _HN3    25     1.01587   119.58739    -3.26956
   29    24 S   S    _SG2    35     1.82791   111.36955   -64.89177
   30    27 S   CT   _CA3    26     1.45288   123.20807   177.12969
   31    30 S   HC   HA31    27     1.09550   107.50477   -64.71535
   32    30 S   HC   HA32    28     1.09557   107.99075    51.72221
   33    29 S   CT   _C15    36     1.85628   100.24570   167.13943
   34    33 S   HC   _H3_    37     1.09650   104.77331   -43.79181
   35    30 S   CO3  _C3_    29     1.52959   114.08556   173.72693
   36    35 S   O2Z  _O31    30     1.26375   116.06932    -0.62464
   37    35 S   O2Z  _O32    31     1.26429   114.41111   179.43768
   38    33 S   CT   _C7_    38     1.54092   109.87174    71.30015
   39    38 S   HC   _H27    39     1.09493   109.69487   -56.97778
   40    38 S   HC   _H28    40     1.09238   109.00580  -172.03235
   41    33 S   CT   _C13    63     1.56888   111.77606  -159.04302
   42    41 S   HC   _H35    64     1.09656   108.17777   -63.67575
   43    38 S   CO4  _C4_    41     1.52818   116.42915    65.27407
   44    43 S   O    _O21    42     1.23195   122.51497    -0.53778
   45    41 S   CT   _C21    65     1.54429   111.61776    53.12324
   46    45 S   HC   _H51    66     1.09469   111.57817    52.84399
   47    45 S   HC   _H52    67     1.09412   111.72434   -68.30245
   48    45 S   HC   _H53    68     1.09560   111.05710   173.39996
   49    43 S   CT   _C10    43     1.52946   118.11556  -178.71717
   50    49 S   HC   _H32    44     1.09468   105.09822  -169.56031
   51    49 S   CT   _C8_    45     1.53628   111.70947   -50.66871
   52    51 S   HC   _H29    46     1.09129   110.43910   -29.41833
   53    51 S   HC   _H30    47     1.09900   108.42903    84.78341
   54    49 S   CT   _C18    90     1.52573   110.09400    75.00101
   55    54 S   HC   _H42    91     1.09502   111.70972   -68.23983
   56    54 S   HC   _H43    92     1.09450   110.94751   171.25273
   57    54 S   HC   _H44    93     1.09557   110.78347    51.40150
   58    51 S   CT   _C12    48     1.54138   115.12648  -153.31546
   59    58 S   HC   _H34    49     1.09890   107.48299   -56.69247
   60    58 S   CT   _C14    50     1.55684   115.67080    62.48821
   61    60 S   HC   _H36    51     1.09492   109.43684   -58.93828
   62    58 S   CT   _C20    86     1.53794   108.95798  -170.51167
   63    62 S   HC   _H48    87     1.09448   111.70566   -59.04413
   64    62 S   HC   _H49    88     1.09441   111.59024   179.50111
   65    62 S   HC   _H50    89     1.09582   110.37376    60.35717
   66    60 S   CT   _C11    52     1.54941   117.00240    65.50110
   67    66 S   HC   _H33    53     1.09461   109.75449    46.48637
   68    60 S   OH   _O25    84     1.43618   107.31760  -172.74934
   69    68 S   HO   _H59    85     0.97254   107.60541    59.85616
   70    66 S   CO4  _C5_    54     1.52990   112.18921   -75.03362
   71    70 S   O    _O22    55     1.23162   121.02464   -53.57376
   72    66 S   CT   _C19    80     1.53590   111.71151   164.90523
   73    72 S   HC   _H45    81     1.09585   111.16261    53.76489
   74    72 S   HC   _H46    82     1.09478   111.23931   -66.91974
   75    72 S   HC   _H47    83     1.09502   111.35652   173.36310
   76    70 S   CT   _C9_    56     1.52435   117.34705   127.63992
   77    76 S   HC   _H31    57     1.09691   108.06251   -45.34387
   78    76 S   CO4  _C6_    58     1.51926   113.20892  -164.63075
   79    78 S   O    _O23    59     1.22411   124.36727   -77.82885
   80    76 S   CT   _C17    76     1.52577   110.69691    72.62645
   81    80 S   HC   _H39    77     1.09597   111.28262    54.86983
   82    80 S   HC   _H40    78     1.09478   111.13247   -64.97835
   83    80 S   HC   _H41    79     1.09553   111.09540   174.99747
   84    78 S   OS   _O24    60     1.36593   109.86703   103.60738
   85    84 S   CT   _C16    61     1.44717   117.56256   168.96479
   86    85 S   HC   _H38    62     1.09866   107.73932   -30.64836
   87    85 S   CT   _C23    69     1.53885   107.61865  -145.75977
   88    87 S   HC   _H57    70     1.09483   110.44620  -176.15193
   89    87 S   HC   _H58    71     1.09517   110.55399   -56.97771
   90    87 S   CT   _C22    72     1.52516   112.00393    62.74350
   91    90 S   HC   _H54    73     1.09447   111.41658   -61.96687
   92    90 S   HC   _H55    74     1.09466   110.09025   178.43290
   93    90 S   HC   _H56    75     1.09460   110.96145    58.89631
  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
  17   8   2   1   1  12   5   4  14   8  11   4   7   3   2   1
  12   8  16   6   5   4   2   1   1  13   8  16   7   5   2   1
   1  13   8   3   1  14   5   4   2   1   1   9   7   9   3   4
   2   1   1   6   8   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    85    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    84    85    86    41    42    45    46    47    48    87  
   38    39    40    43    85    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    51    85    41    42    45    54  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    47    48    87    88    89    90    43    78    84    85    86  
   45    46    47    48    87    84    85    86  
   44    49    50    51    52    53    58    54    55    56    57  
   49    50    51    54  
   46    47    48    87    84    85    86  
   47    48    85  
   48    85  
   85  
   50    51    52    53    58    59    60    62    54    55    56    57  
   51    52    53    58    54    55    56    57  
   52    53    58    59    60    61    66    68    62    63    64    65    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    66    67    70    72    68    69    62    63    64    65  
   60    61    66    68    62    63    64    65  
   61    66    67    70    71    76    72    73    74    75    68    69    62    63    64    65  
   66    67    70    72    68    69    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    70    71    76    77    78    80    72    73    74    75    68    69  
   70    71    76    72    73    74    75    68  
   69    70    72  
    0  
   71    76    77    78    79    84    80    81    82    83    72    73    74    75  
   76    77    78    80    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78    79    84    85    80    81    82    83  
   78    79    84    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87    88    89    90  
   86    87    88    89    90    91    92    93  
   87    88    89    90  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    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   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   320.000  1.410
   66    67   340.000  1.090
   66    70   317.000  1.522
   66    72   268.000  1.529
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   317.000  1.522
   76    80   268.000  1.529
   78    79   570.000  1.229
   78    84   214.000  1.327
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    41   268.000  1.529
   85    87   268.000  1.529
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    41    85    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    49    70.00000  116.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    63.00000  111.10000
   43    49    54    63.00000  111.10000
   49    43    44    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    66    58.35000  112.70000
   58    60    68    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    70    63.00000  111.10000
   60    66    72    58.35000  112.70000
   60    68    69    55.00000  108.50000
   66    60    61    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    76    70.00000  116.00000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    37.50000  110.70000
   70    66    67    35.00000  109.50000
   70    76    77    35.00000  109.50000
   70    76    78    75.00000  107.99600
   70    76    80    63.00000  111.10000
   76    70    71    80.00000  120.40000
   76    78    79    80.00000  120.40000
   76    78    84    81.00000  111.40000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    83    37.50000  110.70000
   78    76    77    35.00000  109.50000
   78    84    85    83.00000  116.90000
   84    78    79    83.00000  123.40000
   84    85    86    35.00000  109.50000
   84    85    41    50.00000  109.50000
   84    85    87    50.00000  109.50000
   85    41    42    37.50000  110.70000
   85    41    45    58.35000  112.70000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    90    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    85    86    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   87    85    86    37.50000  110.70000
   87    85    41    58.35000  112.70000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   80    76    77    37.50000  110.70000
   80    76    78    63.00000  111.10000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    70    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    66    50.00000  109.50000
   62    58    59    37.50000  110.70000
   62    58    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    85   0.44750  1.0 1.0
   29    33    41    85  -0.17800 -1.0 2.0
   29    33    41    85   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    49   0.60050  1.0 1.0
   33    38    43    49   0.05600 -1.0 2.0
   33    38    43    49   0.26150  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  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    43  -0.11250  1.0 3.0
   34    33    41    85   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    85   0.56750  1.0 1.0
   38    33    41    85  -0.07550 -1.0 2.0
   38    33    41    85   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    50   0.00000  1.0 1.0
   38    43    49    51   0.60050  1.0 1.0
   38    43    49    51   0.05600 -1.0 2.0
   38    43    49    51   0.26150  1.0 3.0
   38    43    49    54   0.60050  1.0 1.0
   38    43    49    54   0.05600 -1.0 2.0
   38    43    49    54   0.26150  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    49   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    49   0.00000  1.0 1.0
   43    49    51    52  -0.11250  1.0 3.0
   43    49    51    53  -0.11250  1.0 3.0
   43    49    51    58  -0.95700  1.0 1.0
   43    49    51    58  -0.18200 -1.0 2.0
   43    49    51    58   0.29450  1.0 3.0
   43    49    54    55  -0.11250  1.0 3.0
   43    49    54    56  -0.11250  1.0 3.0
   43    49    54    57  -0.11250  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.30150 -1.0 2.0
   44    43    49    54   0.30150 -1.0 2.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.56750  1.0 1.0
   49    51    58    60  -0.07550 -1.0 2.0
   49    51    58    60   0.20000  1.0 3.0
   49    51    58    62   0.56750  1.0 1.0
   49    51    58    62  -0.07550 -1.0 2.0
   49    51    58    62   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    58   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    57   0.15000  1.0 3.0
   51    58    60    61   0.15000  1.0 3.0
   51    58    60    66   0.56750  1.0 1.0
   51    58    60    66  -0.07550 -1.0 2.0
   51    58    60    66   0.20000  1.0 3.0
   51    58    60    68   0.86500  1.0 1.0
   51    58    60    68  -0.17500 -1.0 2.0
   51    58    60    68   0.20800  1.0 3.0
   51    58    62    63   0.15000  1.0 3.0
   51    58    62    64   0.15000  1.0 3.0
   51    58    62    65   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    62   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    62   0.15000  1.0 3.0
   58    60    66    67   0.15000  1.0 3.0
   58    60    66    70  -0.95700  1.0 1.0
   58    60    66    70  -0.18200 -1.0 2.0
   58    60    66    70   0.29450  1.0 3.0
   58    60    66    72   0.56750  1.0 1.0
   58    60    66    72  -0.07550 -1.0 2.0
   58    60    66    72   0.20000  1.0 3.0
   58    60    68    69  -0.11600  1.0 1.0
   58    60    68    69  -0.09450 -1.0 2.0
   58    60    68    69   0.21250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    66   0.15000  1.0 3.0
   59    58    60    68   0.23400  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   60    66    70    71   0.30150 -1.0 2.0
   60    66    70    76   0.60050  1.0 1.0
   60    66    70    76   0.05600 -1.0 2.0
   60    66    70    76   0.26150  1.0 3.0
   60    66    72    73   0.15000  1.0 3.0
   60    66    72    74   0.15000  1.0 3.0
   60    66    72    75   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    70  -0.11250  1.0 3.0
   61    60    66    72   0.15000  1.0 3.0
   61    60    68    69   0.19450  1.0 3.0
   66    60    68    69  -0.11600  1.0 1.0
   66    60    68    69  -0.09450 -1.0 2.0
   66    60    68    69   0.21250  1.0 3.0
   66    70    76    77   0.00000  1.0 1.0
   66    70    76    78   0.65300  1.0 1.0
   66    70    76    78  -0.03850 -1.0 2.0
   66    70    76    78   0.33900  1.0 3.0
   66    70    76    80   0.60050  1.0 1.0
   66    70    76    80   0.05600 -1.0 2.0
   66    70    76    80   0.26150  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    76   0.00000  1.0 1.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   70    66    72    73  -0.11250  1.0 3.0
   70    66    72    74  -0.11250  1.0 3.0
   70    66    72    75  -0.11250  1.0 3.0
   70    76    78    79   0.30150 -1.0 2.0
   70    76    78    84   0.40000  1.0 3.0
   70    76    80    81  -0.11250  1.0 3.0
   70    76    80    82  -0.11250  1.0 3.0
   70    76    80    83  -0.11250  1.0 3.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.30150 -1.0 2.0
   71    70    76    80   0.30150 -1.0 2.0
   76    78    84    85   1.63150  1.0 1.0
   76    78    84    85   2.92000 -1.0 2.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    84   0.00000  1.0 1.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    83   0.15000  1.0 3.0
   78    76    80    81  -0.11250  1.0 3.0
   78    76    80    82  -0.11250  1.0 3.0
   78    76    80    83  -0.11250  1.0 3.0
   78    84    85    86   0.08050  1.0 3.0
   78    84    85    41  -0.25900  1.0 1.0
   78    84    85    41  -0.47000 -1.0 2.0
   78    84    85    41   0.11750  1.0 3.0
   78    84    85    87  -0.25900  1.0 1.0
   78    84    85    87  -0.47000 -1.0 2.0
   78    84    85    87   0.11750  1.0 3.0
   79    78    84    85   3.00000 -1.0 2.0
   84    85    41    33   0.62750  1.0 1.0
   84    85    41    33  -0.30950 -1.0 2.0
   84    85    41    33   0.27300  1.0 3.0
   84    85    41    42   0.23400  1.0 3.0
   84    85    41    45   0.62750  1.0 1.0
   84    85    41    45  -0.30950 -1.0 2.0
   84    85    41    45   0.27300  1.0 3.0
   84    85    87    88   0.23400  1.0 3.0
   84    85    87    89   0.23400  1.0 3.0
   84    85    87    90   0.62750  1.0 1.0
   84    85    87    90  -0.30950 -1.0 2.0
   84    85    87    90   0.27300  1.0 3.0
   85    41    45    46   0.15000  1.0 3.0
   85    41    45    47   0.15000  1.0 3.0
   85    41    45    48   0.15000  1.0 3.0
   85    87    90    91   0.15000  1.0 3.0
   85    87    90    92   0.15000  1.0 3.0
   85    87    90    93   0.15000  1.0 3.0
   86    85    41    33   0.15000  1.0 3.0
   86    85    41    42   0.15000  1.0 3.0
   86    85    41    45   0.15000  1.0 3.0
   86    85    87    88   0.15000  1.0 3.0
   86    85    87    89   0.15000  1.0 3.0
   86    85    87    90   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43  -0.95700  1.0 1.0
   41    33    38    43  -0.18200 -1.0 2.0
   41    33    38    43   0.29450  1.0 3.0
   41    85    87    88   0.15000  1.0 3.0
   41    85    87    89   0.15000  1.0 3.0
   41    85    87    90   0.56750  1.0 1.0
   41    85    87    90  -0.07550 -1.0 2.0
   41    85    87    90   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   87    85    41    33   0.56750  1.0 1.0
   87    85    41    33  -0.07550 -1.0 2.0
   87    85    41    33   0.20000  1.0 3.0
   87    85    41    42   0.15000  1.0 3.0
   87    85    41    45   0.56750  1.0 1.0
   87    85    41    45  -0.07550 -1.0 2.0
   87    85    41    45   0.20000  1.0 3.0
   88    87    90    91   0.15000  1.0 3.0
   88    87    90    92   0.15000  1.0 3.0
   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   0.15000  1.0 3.0
   80    76    78    79   0.30150 -1.0 2.0
   80    76    78    84   0.36750  1.0 3.0
   72    66    70    71   0.30150 -1.0 2.0
   72    66    70    76   0.60050  1.0 1.0
   72    66    70    76   0.05600 -1.0 2.0
   72    66    70    76   0.26150  1.0 3.0
   68    60    66    67   0.23400  1.0 3.0
   68    60    66    70  -0.09450  1.0 1.0
   68    60    66    70  -1.12950 -1.0 2.0
   68    60    66    70   0.54000  1.0 3.0
   68    60    66    72   0.86500  1.0 1.0
   68    60    66    72  -0.17500 -1.0 2.0
   68    60    66    72   0.20800  1.0 3.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    66   0.56750  1.0 1.0
   62    58    60    66  -0.07550 -1.0 2.0
   62    58    60    66   0.20000  1.0 3.0
   62    58    60    68   0.86500  1.0 1.0
   62    58    60    68  -0.17500 -1.0 2.0
   62    58    60    68   0.20800  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    58   0.56750  1.0 1.0
   54    49    51    58  -0.07550 -1.0 2.0
   54    49    51    58   0.20000  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    49    43    44  10.50000 -1.0 2.0
   66    76    70    71  10.50000 -1.0 2.0
   76    84    78    79  10.50000 -1.0 2.0
END
