COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.858   5.372   0.344  1.00  0.00           C  
HETATM    2 CL   UNL     1      -5.397  -3.551   1.853  1.00  0.00          Cl  
HETATM    3  C   UNL     1      -2.135   4.371  -0.568  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.342   3.241  -0.618  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.265   3.112   0.249  1.00  0.00           C  
HETATM    6  C   UNL     1       0.010   4.120   1.165  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.786   5.246   1.209  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.645   2.150  -1.612  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.363   1.063  -0.942  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.740  -0.027  -1.639  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.458  -1.113  -0.968  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.484  -0.109  -2.826  1.00  0.00           O  
HETATM   13  N   UNL     1       0.540   1.969   0.202  1.00  0.00           N  
HETATM   14  C   UNL     1       1.862   2.065   0.445  1.00  0.00           C  
HETATM   15  C   UNL     1       2.725   0.882   0.298  1.00  0.00           C  
HETATM   16  O   UNL     1       2.341   3.130   0.786  1.00  0.00           O  
HETATM   17  S   UNL     1      -3.901  -1.145   0.733  1.00  0.00           S  
HETATM   18  C   UNL     1      -4.632  -2.677   0.563  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.537  -3.115  -0.700  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.895  -2.262  -1.566  1.00  0.00           C  
HETATM   21  N   UNL     1       4.010   0.853   0.505  1.00  0.00           N  
HETATM   22  C   UNL     1       4.613  -0.300   0.322  1.00  0.00           C  
HETATM   23  C   UNL     1       3.788  -1.306  -0.063  1.00  0.00           C  
HETATM   24  S   UNL     1       2.187  -0.725  -0.178  1.00  0.00           S  
HETATM   25  C   UNL     1       4.244  -2.722  -0.338  1.00  0.00           C  
HETATM   26  N   UNL     1       5.706  -2.719  -0.499  1.00  0.00           N  
HETATM   27  C   UNL     1       6.355  -2.031   0.626  1.00  0.00           C  
HETATM   28  C   UNL     1       6.107  -0.523   0.517  1.00  0.00           C  
HETATM   29  C   UNL     1       6.223  -4.086  -0.648  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.477   6.256   0.378  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.973   4.472  -1.242  1.00  0.00           H  
HETATM   32  H   UNL     1       0.847   4.022   1.841  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.572   6.030   1.921  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.262   2.552  -2.416  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.712   1.767  -2.027  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.567   1.128   0.005  1.00  0.00           H  
HETATM   37  H   UNL     1       0.146   1.107  -0.007  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.939  -4.066  -1.015  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.748  -2.479  -2.613  1.00  0.00           H  
HETATM   40  H   UNL     1       3.968  -3.364   0.498  1.00  0.00           H  
HETATM   41  H   UNL     1       3.776  -3.086  -1.253  1.00  0.00           H  
HETATM   42  H   UNL     1       5.942  -2.400   1.565  1.00  0.00           H  
HETATM   43  H   UNL     1       7.427  -2.225   0.601  1.00  0.00           H  
HETATM   44  H   UNL     1       6.654  -0.121  -0.335  1.00  0.00           H  
HETATM   45  H   UNL     1       6.436  -0.030   1.432  1.00  0.00           H  
HETATM   46  H   UNL     1       5.724  -4.573  -1.486  1.00  0.00           H  
HETATM   47  H   UNL     1       7.296  -4.051  -0.835  1.00  0.00           H  
HETATM   48  H   UNL     1       6.031  -4.648   0.266  1.00  0.00           H  
CONECT    1    3    3    7   30                                       
CONECT    2   18                                                      
CONECT    3    1    1    4   31                                       
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6   13                                       
CONECT    6    5    7    7   32                                       
CONECT    7    1    6    6   33                                       
CONECT    8    4    9   34   35                                       
CONECT    9    8   10   36                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   17   20   20                                       
CONECT   12   10   10                                                 
CONECT   13    5   14   37                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   21   21   24                                       
CONECT   16   14   14                                                 
CONECT   17   11   18                                                 
CONECT   18    2   17   19   19                                       
CONECT   19   18   18   20   38                                       
CONECT   20   11   11   19   39                                       
CONECT   21   15   15   22                                            
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   24   25                                       
CONECT   24   15   23                                                 
CONECT   25   23   26   40   41                                       
CONECT   26   25   27   29                                            
CONECT   27   26   28   42   43                                       
CONECT   28   22   27   44   45                                       
CONECT   29   26   46   47   48                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   13                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
