COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.368   4.366  11.020  1.00  0.00           N  
HETATM    2  C   UNL     1       4.317   4.140  10.196  1.00  0.00           C  
HETATM    3  N   UNL     1       3.115   4.757  10.167  1.00  0.00           N  
HETATM    4  C   UNL     1       3.050   5.701  11.117  1.00  0.00           C  
HETATM    5  C   UNL     1       4.037   6.044  12.028  1.00  0.00           C  
HETATM    6  C   UNL     1       5.232   5.335  11.956  1.00  0.00           C  
HETATM    7  N   UNL     1       6.287   5.617  12.841  1.00  0.00           N  
HETATM    8  N   UNL     1       3.609   7.057  12.849  1.00  0.00           N  
HETATM    9  C   UNL     1       2.386   7.326  12.444  1.00  0.00           C  
HETATM   10  N   UNL     1       2.000   6.530  11.396  1.00  0.00           N  
HETATM   11  C   UNL     1       0.706   6.571  10.713  1.00  0.00           C  
HETATM   12  C   UNL     1       0.695   7.465   9.472  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.523   8.207   9.438  1.00  0.00           O  
HETATM   14  C   UNL     1       0.761   6.464   8.334  1.00  0.00           C  
HETATM   15  O   UNL     1       0.194   6.941   7.133  1.00  0.00           O  
HETATM   16  P   UNL     1       0.826   8.268   6.467  1.00  0.00           P  
HETATM   17  O   UNL     1       0.778   9.498   7.326  1.00  0.00           O  
HETATM   18  O   UNL     1       0.063   8.388   5.046  1.00  0.00           O  
HETATM   19  O   UNL     1       2.311   7.782   6.052  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.006   5.282   8.900  1.00  0.00           C  
HETATM   21  O   UNL     1       0.342   5.238  10.293  1.00  0.00           O  
HETATM   22  C   UNL     1       0.345   3.961   8.240  1.00  0.00           C  
HETATM   23  O   UNL     1       0.041   4.039   6.858  1.00  0.00           O  
HETATM   24  P   UNL     1       0.314   2.767   5.896  1.00  0.00           P  
HETATM   25  O   UNL     1      -0.051   2.979   4.455  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.470   1.545   6.610  1.00  0.00           O  
HETATM   27  O   UNL     1       1.870   2.401   6.139  1.00  0.00           O  
HETATM   28  P   UNL     1       3.219   3.220   5.791  1.00  0.00           P  
HETATM   29  O   UNL     1       3.333   4.565   6.448  1.00  0.00           O  
HETATM   30  O   UNL     1       4.398   2.176   6.162  1.00  0.00           O  
HETATM   31  O   UNL     1       3.173   3.216   4.177  1.00  0.00           O  
HETATM   32  C   UNL     1       4.061   3.672   1.939  1.00  0.00           C  
HETATM   33  C   UNL     1       4.280   3.762   3.469  1.00  0.00           C  
HETATM   34  C   UNL     1       2.778   4.456   1.572  1.00  0.00           C  
HETATM   35  C   UNL     1       5.239   4.343   1.204  1.00  0.00           C  
HETATM   36  C   UNL     1       3.886   2.194   1.481  1.00  0.00           C  
HETATM   37  O   UNL     1       3.692   2.148   0.070  1.00  0.00           O  
HETATM   38  C   UNL     1       5.086   1.298   1.782  1.00  0.00           C  
HETATM   39  O   UNL     1       6.041   1.199   1.014  1.00  0.00           O  
HETATM   40  N   UNL     1       4.980   0.650   3.002  1.00  0.00           N  
HETATM   41  C   UNL     1       6.002  -0.231   3.518  1.00  0.00           C  
HETATM   42  C   UNL     1       7.000   0.566   4.346  1.00  0.00           C  
HETATM   43  C   UNL     1       8.113  -0.300   4.907  1.00  0.00           C  
HETATM   44  O   UNL     1       8.188  -1.510   4.708  1.00  0.00           O  
HETATM   45  N   UNL     1       9.011   0.445   5.658  1.00  0.00           N  
HETATM   46  C   UNL     1      10.163  -0.137   6.305  1.00  0.00           C  
HETATM   47  C   UNL     1       9.873  -0.614   7.722  1.00  0.00           C  
HETATM   48  S   UNL     1       9.356   0.747   8.813  1.00  0.00           S  
HETATM   49  C   UNL     1       9.191  -0.120  10.346  1.00  0.00           C  
HETATM   50  O   UNL     1       9.913  -1.073  10.617  1.00  0.00           O  
HETATM   51  C   UNL     1       8.184   0.427  11.260  1.00  0.00           C  
HETATM   52  C   UNL     1       8.538   1.437  12.145  1.00  0.00           C  
HETATM   53  C   UNL     1       7.580   1.958  13.015  1.00  0.00           C  
HETATM   54  C   UNL     1       6.276   1.463  12.994  1.00  0.00           C  
HETATM   55  O   UNL     1       5.341   1.970  13.843  1.00  0.00           O  
HETATM   56  C   UNL     1       5.930   0.447  12.102  1.00  0.00           C  
HETATM   57  C   UNL     1       6.888  -0.073  11.231  1.00  0.00           C  
HETATM   58  H   UNL     1       4.461   3.358   9.458  1.00  0.00           H  
HETATM   59  H   UNL     1       6.747   6.506  12.793  1.00  0.00           H  
HETATM   60  H   UNL     1       6.630   4.894  13.445  1.00  0.00           H  
HETATM   61  H   UNL     1       1.734   8.079  12.867  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.010   6.899  11.474  1.00  0.00           H  
HETATM   63  H   UNL     1       1.512   8.193   9.441  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.757   8.420  10.358  1.00  0.00           H  
HETATM   65  H   UNL     1       1.806   6.185   8.151  1.00  0.00           H  
HETATM   66  H   UNL     1       0.238   9.169   4.478  1.00  0.00           H  
HETATM   67  H   UNL     1       2.946   8.442   5.701  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.089   5.437   8.820  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.234   3.145   8.683  1.00  0.00           H  
HETATM   70  H   UNL     1       1.412   3.746   8.354  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.439   1.465   6.483  1.00  0.00           H  
HETATM   72  H   UNL     1       4.639   2.046   7.104  1.00  0.00           H  
HETATM   73  H   UNL     1       4.393   4.803   3.789  1.00  0.00           H  
HETATM   74  H   UNL     1       5.176   3.210   3.772  1.00  0.00           H  
HETATM   75  H   UNL     1       2.559   4.371   0.501  1.00  0.00           H  
HETATM   76  H   UNL     1       2.876   5.523   1.801  1.00  0.00           H  
HETATM   77  H   UNL     1       1.907   4.081   2.122  1.00  0.00           H  
HETATM   78  H   UNL     1       5.280   5.419   1.409  1.00  0.00           H  
HETATM   79  H   UNL     1       5.146   4.222   0.119  1.00  0.00           H  
HETATM   80  H   UNL     1       6.200   3.921   1.513  1.00  0.00           H  
HETATM   81  H   UNL     1       2.989   1.764   1.944  1.00  0.00           H  
HETATM   82  H   UNL     1       4.571   2.232  -0.333  1.00  0.00           H  
HETATM   83  H   UNL     1       4.164   0.814   3.585  1.00  0.00           H  
HETATM   84  H   UNL     1       5.533  -1.012   4.127  1.00  0.00           H  
HETATM   85  H   UNL     1       6.506  -0.728   2.682  1.00  0.00           H  
HETATM   86  H   UNL     1       6.487   1.055   5.184  1.00  0.00           H  
HETATM   87  H   UNL     1       7.452   1.356   3.733  1.00  0.00           H  
HETATM   88  H   UNL     1       8.851   1.443   5.756  1.00  0.00           H  
HETATM   89  H   UNL     1      10.469  -0.991   5.691  1.00  0.00           H  
HETATM   90  H   UNL     1      10.973   0.599   6.279  1.00  0.00           H  
HETATM   91  H   UNL     1       9.088  -1.377   7.724  1.00  0.00           H  
HETATM   92  H   UNL     1      10.777  -1.057   8.152  1.00  0.00           H  
HETATM   93  H   UNL     1       9.551   1.830  12.171  1.00  0.00           H  
HETATM   94  H   UNL     1       7.855   2.748  13.709  1.00  0.00           H  
HETATM   95  H   UNL     1       5.767   2.513  14.526  1.00  0.00           H  
HETATM   96  H   UNL     1       4.916   0.057  12.080  1.00  0.00           H  
HETATM   97  H   UNL     1       6.608  -0.863  10.540  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    1    3    3   58                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   59   60                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   61                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21   62                                       
CONECT   12   11   13   14   63                                       
CONECT   13   12   64                                                 
CONECT   14   12   15   20   65                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   16   19                                                      
CONECT   17   16   16                                                 
CONECT   18   16   66                                                 
CONECT   19   16   67                                                 
CONECT   20   14   21   22   68                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   69   70                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   71                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   72                                                 
CONECT   31   28   33                                                 
CONECT   32   33   34   35   36                                       
CONECT   33   31   32   73   74                                       
CONECT   34   32   75   76   77                                       
CONECT   35   32   78   79   80                                       
CONECT   36   32   37   38   81                                       
CONECT   37   36   82                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   83                                            
CONECT   41   40   42   84   85                                       
CONECT   42   41   43   86   87                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   88                                            
CONECT   46   45   47   89   90                                       
CONECT   47   46   48   91   92                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   52   57                                       
CONECT   52   51   51   53   93                                       
CONECT   53   52   54   54   94                                       
CONECT   54   53   53   55   56                                       
CONECT   55   54   95                                                 
CONECT   56   54   57   57   96                                       
CONECT   57   51   56   56   97                                       
CONECT   58    2                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   26                                                      
CONECT   72   30                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
CONECT   93   52                                                      
CONECT   94   53                                                      
CONECT   95   55                                                      
CONECT   96   56                                                      
CONECT   97   57                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
