COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.049  -1.807   2.717  1.00  0.00           C  
HETATM    2  C   UNL     1       1.738  -0.694   1.910  1.00  0.00           C  
HETATM    3  C   UNL     1       1.238   0.462   2.541  1.00  0.00           C  
HETATM    4  C   UNL     1       1.057   0.504   3.924  1.00  0.00           C  
HETATM    5  C   UNL     1       1.372  -0.609   4.703  1.00  0.00           C  
HETATM    6  C   UNL     1       1.868  -1.765   4.099  1.00  0.00           C  
HETATM    7  N   UNL     1       1.920  -0.737   0.523  1.00  0.00           N  
HETATM    8  C   UNL     1       1.182  -0.565   6.144  1.00  0.00           C  
HETATM    9  N   UNL     1       2.029  -1.424   6.938  1.00  0.00           N  
HETATM   10  S   UNL     1       1.998  -1.552   8.648  1.00  0.00           S  
HETATM   11  C   UNL     1       0.668  -2.692   8.880  1.00  0.00           C  
HETATM   12  C   UNL     1       2.238   0.494  -0.207  1.00  0.00           C  
HETATM   13  C   UNL     1       2.881   0.168  -1.557  1.00  0.00           C  
HETATM   14  N   UNL     1       2.043  -0.756  -2.331  1.00  0.00           N  
HETATM   15  C   UNL     1       1.863  -2.009  -1.587  1.00  0.00           C  
HETATM   16  C   UNL     1       1.185  -1.754  -0.239  1.00  0.00           C  
HETATM   17  C   UNL     1       2.640  -1.017  -3.640  1.00  0.00           C  
HETATM   18  O   UNL     1       0.333   0.169   6.671  1.00  0.00           O  
HETATM   19  O   UNL     1       3.204  -2.218   9.099  1.00  0.00           O  
HETATM   20  O   UNL     1       1.604  -0.276   9.214  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.621  -2.209   9.024  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.670  -3.110   9.207  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.414  -4.480   9.244  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.109  -4.950   9.098  1.00  0.00           C  
HETATM   25  C   UNL     1       0.940  -4.049   8.914  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.992  -2.604   9.354  1.00  0.00           N1+
HETATM   27  O   UNL     1      -3.173  -1.364   9.314  1.00  0.00           O1-
HETATM   28  O   UNL     1      -3.935  -3.413   9.518  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.459  -5.413   9.429  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.771  -6.426   8.470  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.276  -6.720   8.568  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.454  -5.908   7.052  1.00  0.00           C  
HETATM   33  S   UNL     1      -2.827  -7.073   5.699  1.00  0.00           S  
HETATM   34  C   UNL     1      -2.325  -6.093   4.320  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.814  -4.800   4.511  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.416  -4.025   3.421  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.525  -4.534   2.127  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.032  -5.817   1.923  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.429  -6.592   3.012  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.993  -7.701   8.824  1.00  0.00           C  
HETATM   41  C   UNL     1       4.088   1.690  -5.876  1.00  0.00           C  
HETATM   42  C   UNL     1       3.022   2.589  -5.922  1.00  0.00           C  
HETATM   43  C   UNL     1       1.844   2.310  -5.229  1.00  0.00           C  
HETATM   44  C   UNL     1       1.731   1.133  -4.490  1.00  0.00           C  
HETATM   45  C   UNL     1       2.798   0.239  -4.447  1.00  0.00           C  
HETATM   46  C   UNL     1       3.975   0.513  -5.136  1.00  0.00           C  
HETATM   47  C   UNL     1       6.072  -0.276  -4.117  1.00  0.00           C  
HETATM   48  C   UNL     1       7.152  -1.159  -4.087  1.00  0.00           C  
HETATM   49  C   UNL     1       7.254  -2.169  -5.043  1.00  0.00           C  
HETATM   50  C   UNL     1       6.277  -2.296  -6.031  1.00  0.00           C  
HETATM   51  C   UNL     1       5.197  -1.413  -6.061  1.00  0.00           C  
HETATM   52  C   UNL     1       5.097  -0.405  -5.104  1.00  0.00           C  
HETATM   53  H   UNL     1       2.435  -2.713   2.256  1.00  0.00           H  
HETATM   54  H   UNL     1       0.989   1.335   1.943  1.00  0.00           H  
HETATM   55  H   UNL     1       0.669   1.410   4.383  1.00  0.00           H  
HETATM   56  H   UNL     1       2.117  -2.638   4.696  1.00  0.00           H  
HETATM   57  H   UNL     1       2.708  -2.008   6.436  1.00  0.00           H  
HETATM   58  H   UNL     1       2.935   1.109   0.376  1.00  0.00           H  
HETATM   59  H   UNL     1       1.322   1.081  -0.351  1.00  0.00           H  
HETATM   60  H   UNL     1       3.013   1.104  -2.113  1.00  0.00           H  
HETATM   61  H   UNL     1       3.880  -0.261  -1.397  1.00  0.00           H  
HETATM   62  H   UNL     1       2.830  -2.504  -1.428  1.00  0.00           H  
HETATM   63  H   UNL     1       1.235  -2.697  -2.166  1.00  0.00           H  
HETATM   64  H   UNL     1       0.150  -1.422  -0.388  1.00  0.00           H  
HETATM   65  H   UNL     1       1.152  -2.697   0.321  1.00  0.00           H  
HETATM   66  H   UNL     1       2.002  -1.736  -4.165  1.00  0.00           H  
HETATM   67  H   UNL     1       3.608  -1.502  -3.475  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.817  -1.139   8.994  1.00  0.00           H  
HETATM   69  H   UNL     1       0.103  -6.016   9.125  1.00  0.00           H  
HETATM   70  H   UNL     1       1.953  -4.426   8.801  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.988  -5.337  10.276  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.573  -7.507   7.866  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.553  -7.047   9.577  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.871  -5.827   8.343  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.020  -4.991   6.853  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.390  -5.658   6.969  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.721  -4.387   5.513  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.022  -3.026   3.580  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.216  -3.930   1.279  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.116  -6.213   0.915  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.822  -7.590   2.833  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.913  -7.526   8.876  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.174  -8.491   8.088  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.293  -8.084   9.807  1.00  0.00           H  
HETATM   85  H   UNL     1       4.999   1.923  -6.421  1.00  0.00           H  
HETATM   86  H   UNL     1       3.109   3.506  -6.497  1.00  0.00           H  
HETATM   87  H   UNL     1       1.014   3.010  -5.265  1.00  0.00           H  
HETATM   88  H   UNL     1       0.809   0.925  -3.953  1.00  0.00           H  
HETATM   89  H   UNL     1       6.005   0.506  -3.364  1.00  0.00           H  
HETATM   90  H   UNL     1       7.912  -1.060  -3.318  1.00  0.00           H  
HETATM   91  H   UNL     1       8.095  -2.856  -5.020  1.00  0.00           H  
HETATM   92  H   UNL     1       6.357  -3.082  -6.776  1.00  0.00           H  
HETATM   93  H   UNL     1       4.444  -1.524  -6.837  1.00  0.00           H  
CONECT    1    2    6    6   53                                       
CONECT    2    1    7    3    3                                       
CONECT    3    2    2    4   54                                       
CONECT    4    3    5    5   55                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5   56                                       
CONECT    7    2   12   16                                            
CONECT    8    5    9   18   18                                       
CONECT    9    8   10   57                                            
CONECT   10    9   19   19   11                                       
CONECT   10   20   20                                                 
CONECT   11   10   21   25   25                                       
CONECT   12    7   13   58   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   17   15                                            
CONECT   15   14   16   62   63                                       
CONECT   16    7   15   64   65                                       
CONECT   17   14   45   66   67                                       
CONECT   18    8    8                                                 
CONECT   19   10   10                                                 
CONECT   20   10   10                                                 
CONECT   21   11   22   22   68                                       
CONECT   22   21   21   26   23                                       
CONECT   23   22   29   24   24                                       
CONECT   24   23   23   25   69                                       
CONECT   25   11   11   24   70                                       
CONECT   26   22   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26                                                 
CONECT   29   23   30   71                                            
CONECT   30   29   40   32   31                                       
CONECT   31   30   72   73   74                                       
CONECT   32   30   33   75   76                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   77                                       
CONECT   36   35   37   37   78                                       
CONECT   37   36   36   38   79                                       
CONECT   38   37   39   39   80                                       
CONECT   39   34   38   38   81                                       
CONECT   40   30   82   83   84                                       
CONECT   41   46   46   42   85                                       
CONECT   42   41   43   43   86                                       
CONECT   43   42   42   44   87                                       
CONECT   44   43   45   45   88                                       
CONECT   45   17   44   44   46                                       
CONECT   46   41   41   45   52                                       
CONECT   47   48   48   52   89                                       
CONECT   48   47   47   49   90                                       
CONECT   49   48   50   50   91                                       
CONECT   50   49   49   51   92                                       
CONECT   51   50   52   52   93                                       
CONECT   52   46   47   51   51                                       
CONECT   53    1                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    6                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   21                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
CONECT   92   50                                                      
CONECT   93   51                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
