COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.431  -3.408   0.362  1.00  0.00           C  
HETATM    2  C   UNL     1       2.404  -2.282   1.165  1.00  0.00           C  
HETATM    3  C   UNL     1       2.809  -3.305  -0.965  1.00  0.00           C  
HETATM    4  C   UNL     1       3.155  -2.076  -1.492  1.00  0.00           C  
HETATM    5  C   UNL     1       3.123  -0.944  -0.690  1.00  0.00           C  
HETATM    6  O   UNL     1       2.222   1.684   1.622  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.128   1.619   0.375  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.216   2.215   1.627  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.333  -0.081   0.091  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.922   0.031  -0.309  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.945   0.600   0.429  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.701   0.572  -0.184  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.688  -0.013  -1.398  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.484   1.142   0.446  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.561   1.737   1.704  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   2.272   2.286  1.00  0.00           C  
HETATM   17  C   UNL     1       2.249   1.547   0.417  1.00  0.00           C  
HETATM   18  C   UNL     1       3.567   1.357  -0.290  1.00  0.00           C  
HETATM   19  C   UNL     1       4.661   1.059   0.739  1.00  0.00           C  
HETATM   20  C   UNL     1       6.006   0.928   0.021  1.00  0.00           C  
HETATM   21  C   UNL     1       5.294   2.458  -1.717  1.00  0.00           C  
HETATM   22  C   UNL     1       3.927   2.635  -1.052  1.00  0.00           C  
HETATM   23  C   UNL     1       2.749  -1.051   0.641  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.262   1.085  -0.219  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.244  -0.686  -0.751  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.725   0.393   1.244  1.00  0.00           N  
HETATM   27  N   UNL     1       1.102   1.564  -0.290  1.00  0.00           N  
HETATM   28  N   UNL     1       6.306   2.176  -0.692  1.00  0.00           N  
HETATM   29  O   UNL     1       3.464   0.266  -1.207  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.247  -0.564  -1.819  1.00  0.00           S  
HETATM   31 CL   UNL     1       1.997  -4.954   1.022  1.00  0.00          Cl  
HETATM   32  H   UNL     1       2.113  -2.365   2.201  1.00  0.00           H  
HETATM   33  H   UNL     1       2.834  -4.186  -1.589  1.00  0.00           H  
HETATM   34  H   UNL     1       3.450  -1.996  -2.528  1.00  0.00           H  
HETATM   35  H   UNL     1       0.667   2.634   2.087  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.117   1.035   1.403  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.810  -0.123  -2.017  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.508   1.783   2.222  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.492   2.735   3.260  1.00  0.00           H  
HETATM   40  H   UNL     1       4.712   1.874   1.462  1.00  0.00           H  
HETATM   41  H   UNL     1       4.431   0.127   1.255  1.00  0.00           H  
HETATM   42  H   UNL     1       6.790   0.731   0.753  1.00  0.00           H  
HETATM   43  H   UNL     1       5.959   0.105  -0.692  1.00  0.00           H  
HETATM   44  H   UNL     1       5.250   1.628  -2.422  1.00  0.00           H  
HETATM   45  H   UNL     1       5.560   3.372  -2.249  1.00  0.00           H  
HETATM   46  H   UNL     1       3.173   2.829  -1.815  1.00  0.00           H  
HETATM   47  H   UNL     1       3.967   3.474  -0.357  1.00  0.00           H  
HETATM   48  H   UNL     1       2.724  -0.171   1.267  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.197   0.625  -1.194  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.954  -1.038  -1.607  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.085   0.819   1.836  1.00  0.00           H  
HETATM   52  H   UNL     1       1.129   1.538  -1.259  1.00  0.00           H  
HETATM   53  H   UNL     1       7.231   2.150  -1.094  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.175  -0.760  -0.486  1.00  0.00           H  
CONECT    1    3    3    2   31                                       
CONECT    2   23   23    1   32                                       
CONECT    3    4    1    1   33                                       
CONECT    4    5    5    3   34                                       
CONECT    5   29    4    4   23                                       
CONECT    6   17   17                                                 
CONECT    7   24   24    8   27                                       
CONECT    8   16   16    7   35                                       
CONECT    9   25   10   26   26                                       
CONECT   10   30    9   11   11                                       
CONECT   11   10   10   12   36                                       
CONECT   12   13   13   11   14                                       
CONECT   13   30   12   12   37                                       
CONECT   14   12   15   15   24                                       
CONECT   15   14   14   16   38                                       
CONECT   16   15    8    8   39                                       
CONECT   17   27    6    6   18                                       
CONECT   18   17   22   19   29                                       
CONECT   19   18   20   40   41                                       
CONECT   20   19   28   42   43                                       
CONECT   21   22   28   44   45                                       
CONECT   22   18   21   46   47                                       
CONECT   23    5    2    2   48                                       
CONECT   24   14    7    7   49                                       
CONECT   25    9   50   54                                            
CONECT   26    9    9   51                                            
CONECT   27    7   17   52                                            
CONECT   28   21   20   53                                            
CONECT   29   18    5                                                 
CONECT   30   13   10                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
