COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.076  -1.297   0.018  1.00  0.00           C  
HETATM    2  C   UNL     1       3.113  -0.926  -0.902  1.00  0.00           C  
HETATM    3  C   UNL     1       2.002  -1.880  -1.255  1.00  0.00           C  
HETATM    4  O   UNL     1       6.155   1.688   0.064  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.319  -0.714   0.112  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.212  -1.622  -1.878  1.00  0.00           O  
HETATM    7  C   UNL     1       0.837  -1.661  -0.324  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.250  -0.915  -0.741  1.00  0.00           C  
HETATM    9  C   UNL     1       0.855  -2.206   0.948  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.340   1.745  -0.381  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.215  -2.004   1.801  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.942  -0.859  -1.496  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.301  -1.258   1.383  1.00  0.00           C  
HETATM   14 CL   UNL     1       2.219  -3.143   1.472  1.00  0.00          Cl  
HETATM   15  C   UNL     1       5.096  -0.424   0.344  1.00  0.00           C  
HETATM   16  C   UNL     1       5.153   0.827  -0.254  1.00  0.00           C  
HETATM   17  C   UNL     1       4.186   1.197  -1.177  1.00  0.00           C  
HETATM   18  C   UNL     1       3.168   0.320  -1.499  1.00  0.00           C  
HETATM   19  C   UNL     1       6.151   2.958  -0.590  1.00  0.00           C  
HETATM   20  C   UNL     1       7.345   3.784  -0.107  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.500   0.104  -0.341  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.945   0.934   0.734  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.052   1.774   0.402  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.250   0.907   0.007  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.853   0.007  -1.168  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.636  -0.831  -0.766  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.422   2.633   1.613  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.346   3.525   1.911  1.00  0.00           O  
HETATM   29  H   UNL     1       4.028  -2.269   0.487  1.00  0.00           H  
HETATM   30  H   UNL     1       1.684  -1.705  -2.282  1.00  0.00           H  
HETATM   31  H   UNL     1       2.358  -2.906  -1.155  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.885  -2.235  -2.204  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.264  -0.490  -1.734  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.135   1.261  -0.645  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.202  -2.429   2.794  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.750  -0.394  -1.753  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.136  -1.100   2.049  1.00  0.00           H  
HETATM   38  H   UNL     1       5.847  -0.714   1.063  1.00  0.00           H  
HETATM   39  H   UNL     1       4.228   2.170  -1.644  1.00  0.00           H  
HETATM   40  H   UNL     1       2.415   0.608  -2.218  1.00  0.00           H  
HETATM   41  H   UNL     1       6.222   2.812  -1.668  1.00  0.00           H  
HETATM   42  H   UNL     1       5.226   3.485  -0.355  1.00  0.00           H  
HETATM   43  H   UNL     1       7.274   3.931   0.971  1.00  0.00           H  
HETATM   44  H   UNL     1       8.270   3.258  -0.342  1.00  0.00           H  
HETATM   45  H   UNL     1       7.342   4.753  -0.606  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.208   0.728  -1.185  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.780   2.421  -0.432  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.549   0.290   0.855  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.604   0.623  -2.031  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.901  -1.484   0.065  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.320   3.209   1.390  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.608   1.989   2.473  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.511   4.101   2.670  1.00  0.00           H  
CONECT    1    2    2   15   29                                       
CONECT    2    3    1    1   18                                       
CONECT    3    7    2   30   31                                       
CONECT    4   16   19                                                 
CONECT    5   21   13   13    8                                       
CONECT    6   26   32                                                 
CONECT    7    8    8    9    3                                       
CONECT    8    5    7    7   33                                       
CONECT    9   11   11    7   14                                       
CONECT   10   24   34                                                 
CONECT   11   13    9    9   35                                       
CONECT   12   25   36                                                 
CONECT   13    5    5   11   37                                       
CONECT   14    9                                                      
CONECT   15    1   16   16   38                                       
CONECT   16   15   15   17    4                                       
CONECT   17   18   18   16   39                                       
CONECT   18    2   17   17   40                                       
CONECT   19   20    4   41   42                                       
CONECT   20   19   43   44   45                                       
CONECT   21   26   22    5   46                                       
CONECT   22   23   21                                                 
CONECT   23   24   27   22   47                                       
CONECT   24   10   25   23   48                                       
CONECT   25   12   24   26   49                                       
CONECT   26   25    6   21   50                                       
CONECT   27   23   28   51   52                                       
CONECT   28   27   53                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
