COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.750  -1.676  -1.608  1.00  0.00           O  
HETATM    2  C   UNL     1       3.749  -0.742  -1.198  1.00  0.00           C  
HETATM    3  C   UNL     1       4.389   0.444  -0.509  1.00  0.00           C  
HETATM    4  C   UNL     1       4.249   0.321   0.861  1.00  0.00           C  
HETATM    5  C   UNL     1       4.763   1.297   1.697  1.00  0.00           C  
HETATM    6  C   UNL     1       5.415   2.394   1.168  1.00  0.00           C  
HETATM    7  C   UNL     1       5.555   2.517  -0.202  1.00  0.00           C  
HETATM    8  C   UNL     1       5.043   1.544  -1.038  1.00  0.00           C  
HETATM    9  C   UNL     1       3.505  -0.957   1.186  1.00  0.00           C  
HETATM   10  C   UNL     1       2.827  -1.377  -0.135  1.00  0.00           C  
HETATM   11  N   UNL     1       1.473  -0.825  -0.224  1.00  0.00           N  
HETATM   12  C   UNL     1       0.422  -1.543   0.219  1.00  0.00           C  
HETATM   13  O   UNL     1       0.597  -2.650   0.692  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.932  -0.990   0.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.072  -1.613   0.535  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.171  -0.741   0.279  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.609   0.402  -0.297  1.00  0.00           C  
HETATM   18  S   UNL     1      -4.011   1.446  -0.600  1.00  0.00           S  
HETATM   19  C   UNL     1      -5.294   0.378   0.026  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.621  -0.709   0.433  1.00  0.00           C  
HETATM   21 CL   UNL     1      -7.003   0.673   0.092  1.00  0.00          Cl  
HETATM   22  N   UNL     1      -1.266   0.250  -0.385  1.00  0.00           N  
HETATM   23  H   UNL     1       5.296  -1.229  -2.269  1.00  0.00           H  
HETATM   24  H   UNL     1       3.166  -0.413  -2.057  1.00  0.00           H  
HETATM   25  H   UNL     1       4.653   1.202   2.768  1.00  0.00           H  
HETATM   26  H   UNL     1       5.814   3.154   1.823  1.00  0.00           H  
HETATM   27  H   UNL     1       6.065   3.374  -0.618  1.00  0.00           H  
HETATM   28  H   UNL     1       5.153   1.642  -2.108  1.00  0.00           H  
HETATM   29  H   UNL     1       2.755  -0.773   1.955  1.00  0.00           H  
HETATM   30  H   UNL     1       4.203  -1.728   1.514  1.00  0.00           H  
HETATM   31  H   UNL     1       2.811  -2.462  -0.235  1.00  0.00           H  
HETATM   32  H   UNL     1       1.333   0.058  -0.602  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.134  -2.598   0.974  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.145  -1.546   0.868  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.644   0.900  -0.748  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    1    3   10   24                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    6    8    8   27                                       
CONECT    8    3    7    7   28                                       
CONECT    9    4   10   29   30                                       
CONECT   10    2    9   11   31                                       
CONECT   11   10   12   32                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   15   22                                       
CONECT   15   14   14   16   33                                       
CONECT   16   15   17   17   20                                       
CONECT   17   16   16   18   22                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   20   16   19   19   34                                       
CONECT   21   19                                                      
CONECT   22   14   17   35                                            
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   15                                                      
CONECT   34   20                                                      
CONECT   35   22                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
