COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.161  -5.041   0.237  1.00  0.00           C  
HETATM    2  C   UNL     1       1.066  -4.115   0.702  1.00  0.00           C  
HETATM    3  O   UNL     1       1.011  -3.779   1.866  1.00  0.00           O  
HETATM    4  N   UNL     1       0.149  -3.661  -0.175  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.915  -2.761   0.278  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.414  -1.334   0.266  1.00  0.00           C  
HETATM    7  N   UNL     1       0.839  -1.070   0.111  1.00  0.00           N  
HETATM    8  O   UNL     1       1.223   0.086   0.105  1.00  0.00           O  
HETATM    9  C   UNL     1       2.543   0.291  -0.061  1.00  0.00           C  
HETATM   10  O   UNL     1       3.292  -0.656  -0.196  1.00  0.00           O  
HETATM   11  N   UNL     1       3.033   1.546  -0.078  1.00  0.00           N  
HETATM   12  C   UNL     1       4.414   1.757  -0.153  1.00  0.00           C  
HETATM   13  C   UNL     1       5.210   0.896  -0.897  1.00  0.00           C  
HETATM   14  C   UNL     1       6.573   1.107  -0.969  1.00  0.00           C  
HETATM   15  C   UNL     1       7.145   2.174  -0.302  1.00  0.00           C  
HETATM   16  C   UNL     1       6.355   3.033   0.440  1.00  0.00           C  
HETATM   17  C   UNL     1       4.991   2.832   0.511  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.324  -0.336   0.424  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.465  -0.395  -0.439  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.464   0.693  -0.038  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.885   1.979  -0.266  1.00  0.00           O  
HETATM   22  S   UNL     1      -3.796   3.142   0.099  1.00  0.00           S  
HETATM   23  O   UNL     1      -5.108   2.763  -0.294  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.813   3.240   1.618  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.153   4.319  -0.371  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.127  -1.770  -0.309  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.247  -1.845  -1.192  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.114  -2.859  -0.674  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.725  -4.144  -0.545  1.00  0.00           O  
HETATM   30  H   UNL     1       2.801  -5.299   1.081  1.00  0.00           H  
HETATM   31  H   UNL     1       1.719  -5.948  -0.175  1.00  0.00           H  
HETATM   32  H   UNL     1       2.754  -4.545  -0.531  1.00  0.00           H  
HETATM   33  H   UNL     1       0.194  -3.931  -1.106  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.223  -3.035   1.287  1.00  0.00           H  
HETATM   35  H   UNL     1       2.428   2.303  -0.037  1.00  0.00           H  
HETATM   36  H   UNL     1       4.763   0.062  -1.418  1.00  0.00           H  
HETATM   37  H   UNL     1       7.192   0.438  -1.548  1.00  0.00           H  
HETATM   38  H   UNL     1       8.211   2.337  -0.360  1.00  0.00           H  
HETATM   39  H   UNL     1       6.805   3.866   0.961  1.00  0.00           H  
HETATM   40  H   UNL     1       4.375   3.503   1.091  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.151  -0.238  -1.470  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.370   0.592  -0.636  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.712   0.587   1.018  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.463  -1.915   0.718  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.930  -1.182  -1.019  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.777  -2.714  -1.701  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.136  -4.882  -0.753  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.368   3.955   1.959  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    4    1    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   33                                            
CONECT    5    4    6   28   34                                       
CONECT    6    5    7    7   18                                       
CONECT    7    8    6    6                                            
CONECT    8    7    9                                                 
CONECT    9   11    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   35                                            
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   36                                       
CONECT   14   15   15   13   37                                       
CONECT   15   16   14   14   38                                       
CONECT   16   17   17   15   39                                       
CONECT   17   16   16   12   40                                       
CONECT   18    6   19                                                 
CONECT   19   26   18   20   41                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   22                                                 
CONECT   22   25   25   21   23                                       
CONECT   22   23   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   48                                                 
CONECT   25   22   22                                                 
CONECT   26   28   27   19   44                                       
CONECT   27   26   45                                                 
CONECT   28   29    5   26   46                                       
CONECT   29   28   47                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
