COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.347  -2.596   1.322  1.00  0.00           C  
HETATM    2  C   UNL     1       3.324  -3.652   2.047  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.604  -1.823   0.810  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.273  -0.777   1.234  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.625  -0.804   1.047  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.197  -0.217  -0.089  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.897  -0.889   0.452  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.007   0.427  -0.854  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.520   1.116  -1.443  1.00  0.00           C  
HETATM   10  N   UNL     1       2.305   5.675   2.028  1.00  0.00           N1+
HETATM   11  C   UNL     1      -0.632  -2.434   1.836  1.00  0.00           C  
HETATM   12  O   UNL     1       1.167  -4.431  -0.981  1.00  0.00           O  
HETATM   13  C   UNL     1       2.813  -3.551   0.767  1.00  0.00           C  
HETATM   14  C   UNL     1       3.573  -2.985  -0.239  1.00  0.00           C  
HETATM   15  C   UNL     1       4.838  -2.502   0.040  1.00  0.00           C  
HETATM   16  C   UNL     1       2.055   1.749  -1.037  1.00  0.00           C  
HETATM   17  C   UNL     1       4.592  -3.174   2.325  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.418  -1.838  -0.172  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.082  -0.416   1.177  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.450  -0.164   0.297  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.661  -0.254  -0.278  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.390   0.402  -1.038  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.847   0.708  -0.959  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.222   1.535  -2.706  1.00  0.00           C  
HETATM   25  C   UNL     1       0.153   1.827  -2.722  1.00  0.00           C  
HETATM   26  C   UNL     1       0.626   1.577  -1.483  1.00  0.00           C  
HETATM   27  C   UNL     1       2.078   3.506   0.754  1.00  0.00           C  
HETATM   28  C   UNL     1       1.661   2.632   1.909  1.00  0.00           C  
HETATM   29  C   UNL     1       2.356   4.829   0.814  1.00  0.00           C  
HETATM   30  C   UNL     1       2.701   5.255  -0.472  1.00  0.00           C  
HETATM   31  C   UNL     1       3.086   6.659  -0.864  1.00  0.00           C  
HETATM   32  N   UNL     1       0.137  -2.914   0.671  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.087   0.026   0.207  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.445  -0.852   0.640  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.982   0.940  -1.578  1.00  0.00           N  
HETATM   36  N   UNL     1       2.246   3.108  -0.525  1.00  0.00           N  
HETATM   37  N   UNL     1       2.632   4.226  -1.276  1.00  0.00           N  
HETATM   38  O   UNL     1       0.912  -5.140   1.403  1.00  0.00           O  
HETATM   39  O   UNL     1       5.480  -0.277  -1.243  1.00  0.00           O  
HETATM   40  O   UNL     1       7.159  -1.881  -0.836  1.00  0.00           O  
HETATM   41  O   UNL     1      -9.159   0.255  -1.264  1.00  0.00           O  
HETATM   42  O   UNL     1       3.295   5.801   2.725  1.00  0.00           O  
HETATM   43  O   UNL     1       1.271   6.245   2.329  1.00  0.00           O1-
HETATM   44  O   UNL     1      -0.387   1.148  -0.714  1.00  0.00           O  
HETATM   45  S   UNL     1       5.801  -1.765  -1.238  1.00  0.00           S  
HETATM   46  S   UNL     1       1.197  -4.160   0.414  1.00  0.00           S  
HETATM   47  H   UNL     1       6.337  -2.223   1.539  1.00  0.00           H  
HETATM   48  H   UNL     1       2.734  -4.104   2.831  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.419  -2.488   0.526  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.842  -1.229   2.115  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.258  -1.282   1.780  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.130  -1.414  -0.475  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.359  -1.410   1.291  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.283   0.129   0.400  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.104  -1.694   2.436  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.071  -3.233   2.434  1.00  0.00           H  
HETATM   57  H   UNL     1       3.175  -2.911  -1.240  1.00  0.00           H  
HETATM   58  H   UNL     1       2.279   1.029  -0.250  1.00  0.00           H  
HETATM   59  H   UNL     1       2.722   1.582  -1.883  1.00  0.00           H  
HETATM   60  H   UNL     1       4.991  -3.252   3.325  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.685  -2.161  -1.178  1.00  0.00           H  
HETATM   62  H   UNL     1       0.173  -0.922  -0.161  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.521  -0.431   2.174  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.236   0.270   1.162  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.830   0.855  -1.914  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.910   1.625  -3.534  1.00  0.00           H  
HETATM   67  H   UNL     1       0.724   2.185  -3.566  1.00  0.00           H  
HETATM   68  H   UNL     1       0.575   2.637   1.995  1.00  0.00           H  
HETATM   69  H   UNL     1       2.007   1.613   1.736  1.00  0.00           H  
HETATM   70  H   UNL     1       2.101   3.014   2.830  1.00  0.00           H  
HETATM   71  H   UNL     1       4.165   6.781  -0.767  1.00  0.00           H  
HETATM   72  H   UNL     1       2.792   6.840  -1.898  1.00  0.00           H  
HETATM   73  H   UNL     1       2.579   7.370  -0.212  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.047  -1.259   1.426  1.00  0.00           H  
HETATM   75  H   UNL     1       5.960   0.227  -1.915  1.00  0.00           H  
HETATM   76  O   UNL     1       5.307  -2.286  -2.464  1.00  0.00           O  
CONECT    1   15   17   17   47                                       
CONECT    2   13   13   17   48                                       
CONECT    3   18   19   11   49                                       
CONECT    4    5   20   20   50                                       
CONECT    5    6    6    4   51                                       
CONECT    6   21    5    5   22                                       
CONECT    7   34   52   53   54                                       
CONECT    8   22   22   20   35                                       
CONECT    9   23   44   24   24                                       
CONECT   10   29   43   42   42                                       
CONECT   11   32    3   55   56                                       
CONECT   12   46   46                                                 
CONECT   13   14   46    2    2                                       
CONECT   14   15   15   13   57                                       
CONECT   15   45   14   14    1                                       
CONECT   16   26   36   58   59                                       
CONECT   17    1    1    2   60                                       
CONECT   18   32    3   61   62                                       
CONECT   19   33    3   63   64                                       
CONECT   20    4    4    8   33                                       
CONECT   21   41   41   34    6                                       
CONECT   22    6    8    8   65                                       
CONECT   23   33   35   35    9                                       
CONECT   24    9    9   25   66                                       
CONECT   25   24   26   26   67                                       
CONECT   26   44   25   25   16                                       
CONECT   27   36   29   29   28                                       
CONECT   28   27   68   69   70                                       
CONECT   29   30   27   27   10                                       
CONECT   30   31   37   37   29                                       
CONECT   31   30   71   72   73                                       
CONECT   32   18   46   11                                            
CONECT   33   20   19   23                                            
CONECT   34    7   21   74                                            
CONECT   35    8   23   23                                            
CONECT   36   37   16   27                                            
CONECT   37   30   30   36                                            
CONECT   38   46   46                                                 
CONECT   39   45   75                                                 
CONECT   40   45   45                                                 
CONECT   41   21   21                                                 
CONECT   42   10   10                                                 
CONECT   43   10                                                      
CONECT   44    9   26                                                 
CONECT   45   39   40   40   15                                       
CONECT   45   76   76                                                 
CONECT   46   38   38   13   32                                       
CONECT   46   12   12                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   39                                                      
CONECT   76   45   45                                                 
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
