COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.601   0.866   1.804  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.475   3.367  -0.886  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.208   1.716  -0.806  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.100  -1.508   1.111  1.00  0.00           C  
HETATM    5  C   UNL     1       3.536   0.799   0.062  1.00  0.00           C  
HETATM    6  C   UNL     1       3.183  -1.460  -0.262  1.00  0.00           C  
HETATM    7  C   UNL     1       4.969  -2.821  -1.285  1.00  0.00           C  
HETATM    8  C   UNL     1       1.905  -1.320   0.305  1.00  0.00           C  
HETATM    9  C   UNL     1       1.507  -0.044   0.738  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.335   1.573   0.694  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.806   2.721   0.137  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.677   2.866  -1.355  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.535   1.061   0.218  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.651  -1.684  -1.441  1.00  0.00           C  
HETATM   15  N   UNL     1       3.954  -0.382  -0.360  1.00  0.00           N  
HETATM   16  N   UNL     1       3.633  -2.694  -0.697  1.00  0.00           N  
HETATM   17  N   UNL     1       0.238  -0.193   1.238  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.064  -0.108   0.768  1.00  0.00           N  
HETATM   19  N   UNL     1       0.881  -2.168   0.567  1.00  0.00           N  
HETATM   20  N   UNL     1       2.346   0.977   0.598  1.00  0.00           N  
HETATM   21  O   UNL     1      -4.906  -0.412  -0.794  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.177  -2.270   0.668  1.00  0.00           O  
HETATM   23  S   UNL     1      -3.873  -1.184  -0.197  1.00  0.00           S  
HETATM   24 CL   UNL     1       4.594   2.166  -0.098  1.00  0.00          Cl  
HETATM   25  H   UNL     1       0.027   1.581   2.337  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.321   0.429   2.495  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.062   4.267  -1.317  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.142   1.321  -1.179  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.040  -1.939   1.421  1.00  0.00           H  
HETATM   30  H   UNL     1       5.145  -3.859  -1.566  1.00  0.00           H  
HETATM   31  H   UNL     1       5.038  -2.188  -2.170  1.00  0.00           H  
HETATM   32  H   UNL     1       5.718  -2.510  -0.557  1.00  0.00           H  
HETATM   33  H   UNL     1       0.132   3.115   0.500  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.200   3.376  -2.151  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.796  -2.144  -0.947  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.103  -2.400  -2.127  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.321  -0.807  -1.998  1.00  0.00           H  
HETATM   38  H   UNL     1       3.064  -3.475  -0.613  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.958  -0.290   1.714  1.00  0.00           H  
CONECT    1   17   10   25   26                                       
CONECT    2   11   11   12   27                                       
CONECT    3   12   12   13   28                                       
CONECT    4   17   19   19   29                                       
CONECT    5   24   20   20   15                                       
CONECT    6   15   15   16    8                                       
CONECT    7   16   30   31   32                                       
CONECT    8    6   19    9    9                                       
CONECT    9    8    8   17   20                                       
CONECT   10    1   13   13   11                                       
CONECT   11   10    2    2   33                                       
CONECT   12    2    3    3   34                                       
CONECT   13   10   10    3   18                                       
CONECT   14   23   35   36   37                                       
CONECT   15    5    6    6                                            
CONECT   16    6    7   38                                            
CONECT   17    9    1    4                                            
CONECT   18   13   23   39                                            
CONECT   19    8    4    4                                            
CONECT   20    5    5    9                                            
CONECT   21   23   23                                                 
CONECT   22   23   23                                                 
CONECT   23   18   14   21   21                                       
CONECT   23   22   22                                                 
CONECT   24    5                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
