COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.075   0.055   1.642  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.851   1.393   1.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.338   1.780   3.130  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.047   0.824   4.092  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.268  -0.518   3.822  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.787  -0.899   2.600  1.00  0.00           C  
HETATM    7  O   UNL     1       0.456   1.202   5.296  1.00  0.00           O  
HETATM    8  C   UNL     1       0.646   0.008   6.058  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.730  -0.435   0.081  1.00  0.00           S  
HETATM   10  O   UNL     1      -2.327  -1.706   0.295  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.395   0.709  -0.434  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.447  -0.705  -0.930  1.00  0.00           N  
HETATM   13  C   UNL     1       0.069   0.395  -1.740  1.00  0.00           C  
HETATM   14  C   UNL     1       1.602   0.515  -1.789  1.00  0.00           C  
HETATM   15  S   UNL     1       2.307   0.271  -0.151  1.00  0.00           S  
HETATM   16  C   UNL     1       2.419  -1.539  -0.116  1.00  0.00           C  
HETATM   17  C   UNL     1       1.156  -2.215   0.146  1.00  0.00           C  
HETATM   18  C   UNL     1       0.136  -2.029  -0.999  1.00  0.00           C  
HETATM   19  C   UNL     1       1.985   1.904  -2.302  1.00  0.00           C  
HETATM   20  C   UNL     1       2.156  -0.546  -2.741  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.435   0.226  -3.150  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.755   1.309  -3.886  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.230   1.151  -5.210  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.554  -0.884  -3.623  1.00  0.00           O  
HETATM   25  H   UNL     1      -1.077   2.137   1.157  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.163   2.825   3.336  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.043  -1.264   4.570  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.964  -1.944   2.391  1.00  0.00           H  
HETATM   29  H   UNL     1       1.052   0.262   7.037  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.309  -0.499   6.182  1.00  0.00           H  
HETATM   31  H   UNL     1       1.342  -0.648   5.536  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.333   1.327  -1.345  1.00  0.00           H  
HETATM   33  H   UNL     1       3.133  -1.826   0.655  1.00  0.00           H  
HETATM   34  H   UNL     1       2.800  -1.880  -1.079  1.00  0.00           H  
HETATM   35  H   UNL     1       0.729  -1.818   1.067  1.00  0.00           H  
HETATM   36  H   UNL     1       1.348  -3.280   0.279  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.651  -2.777  -0.907  1.00  0.00           H  
HETATM   38  H   UNL     1       0.641  -2.153  -1.957  1.00  0.00           H  
HETATM   39  H   UNL     1       3.070   1.986  -2.356  1.00  0.00           H  
HETATM   40  H   UNL     1       1.559   2.055  -3.295  1.00  0.00           H  
HETATM   41  H   UNL     1       1.597   2.662  -1.622  1.00  0.00           H  
HETATM   42  H   UNL     1       1.946  -1.538  -2.341  1.00  0.00           H  
HETATM   43  H   UNL     1       1.683  -0.441  -3.718  1.00  0.00           H  
HETATM   44  H   UNL     1       3.233  -0.416  -2.844  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.660   2.197  -3.507  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.398   2.038  -5.555  1.00  0.00           H  
CONECT    1    2    2    6    9                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   27                                       
CONECT    6    1    5    5   28                                       
CONECT    7    4    8                                                 
CONECT    8    7   29   30   31                                       
CONECT    9    1   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   18                                            
CONECT   13   12   14   21   32                                       
CONECT   14   13   15   19   20                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   33   34                                       
CONECT   17   16   18   35   36                                       
CONECT   18   12   17   37   38                                       
CONECT   19   14   39   40   41                                       
CONECT   20   14   42   43   44                                       
CONECT   21   13   22   24   24                                       
CONECT   22   21   23   45                                            
CONECT   23   22   46                                                 
CONECT   24   21   21                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
