COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.184   3.152   0.010  1.00  0.00           O  
HETATM    2  C   UNL     1       1.049   2.299   0.070  1.00  0.00           C  
HETATM    3  N   UNL     1       2.337   2.657   0.242  1.00  0.00           N  
HETATM    4  C   UNL     1       2.695   4.073   0.357  1.00  0.00           C  
HETATM    5  C   UNL     1       4.208   4.203   0.544  1.00  0.00           C  
HETATM    6  O   UNL     1       4.875   3.738  -0.631  1.00  0.00           O  
HETATM    7  C   UNL     1       0.688   0.875  -0.040  1.00  0.00           C  
HETATM    8  C   UNL     1       1.678  -0.109   0.035  1.00  0.00           C  
HETATM    9  C   UNL     1       1.335  -1.438  -0.068  1.00  0.00           C  
HETATM   10  S   UNL     1       2.586  -2.676   0.027  1.00  0.00           S  
HETATM   11  O   UNL     1       2.367  -3.552  -1.070  1.00  0.00           O  
HETATM   12  O   UNL     1       3.812  -1.991   0.242  1.00  0.00           O  
HETATM   13  N   UNL     1       2.297  -3.560   1.397  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.654   0.497  -0.213  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.981  -0.849  -0.315  1.00  0.00           C  
HETATM   16  C   UNL     1       0.009  -1.809  -0.245  1.00  0.00           C  
HETATM   17 CL   UNL     1      -0.407  -3.489  -0.373  1.00  0.00          Cl  
HETATM   18  S   UNL     1      -1.915   1.725  -0.301  1.00  0.00           S  
HETATM   19  C   UNL     1      -3.439   0.742  -0.334  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.626   1.651  -0.659  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.911   0.822  -0.687  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.128   0.171   0.681  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.941  -0.739   1.006  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.656   0.091   1.034  1.00  0.00           C  
HETATM   25  H   UNL     1       3.027   1.977   0.290  1.00  0.00           H  
HETATM   26  H   UNL     1       2.395   4.598  -0.550  1.00  0.00           H  
HETATM   27  H   UNL     1       2.184   4.509   1.215  1.00  0.00           H  
HETATM   28  H   UNL     1       4.464   5.248   0.718  1.00  0.00           H  
HETATM   29  H   UNL     1       4.521   3.605   1.400  1.00  0.00           H  
HETATM   30  H   UNL     1       5.839   3.792  -0.583  1.00  0.00           H  
HETATM   31  H   UNL     1       2.711   0.174   0.172  1.00  0.00           H  
HETATM   32  H   UNL     1       2.550  -4.496   1.432  1.00  0.00           H  
HETATM   33  H   UNL     1       1.876  -3.142   2.164  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.011  -1.146  -0.449  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.355  -0.033  -1.096  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.709   2.426   0.103  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.471   2.115  -1.634  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.757   1.470  -0.919  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.828   0.047  -1.449  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.212   0.946   1.443  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.044  -0.420   0.661  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.096  -1.202   1.980  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.858  -1.513   0.244  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.810  -0.557   1.266  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.740   0.865   1.796  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    4    2   25                                            
CONECT    4    5    3   26   27                                       
CONECT    5    6    4   28   29                                       
CONECT    6    5   30                                                 
CONECT    7    2   14   14    8                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   16   10                                       
CONECT   10    9   13   11   11                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   32   33                                            
CONECT   14   18    7    7   15                                       
CONECT   15   14   16   16   34                                       
CONECT   16   15   15    9   17                                       
CONECT   17   16                                                      
CONECT   18   19   14                                                 
CONECT   19   24   18   20   35                                       
CONECT   20   19   21   36   37                                       
CONECT   21   22   20   38   39                                       
CONECT   22   23   21   40   41                                       
CONECT   23   24   22   42   43                                       
CONECT   24   23   19   44   45                                       
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
