COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.709  -0.297   1.452  1.00  0.00           N  
HETATM    2  C   UNL     1       6.887   0.393   1.491  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.846  -0.415   0.127  1.00  0.00           C  
HETATM    4  C   UNL     1       5.117  -0.033   0.228  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.774   1.219   1.743  1.00  0.00           C  
HETATM    6  C   UNL     1       1.331  -0.616  -1.509  1.00  0.00           C  
HETATM    7  C   UNL     1       3.937  -0.438  -0.375  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.857  -0.269  -0.838  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.104  -2.658   0.542  1.00  0.00           C  
HETATM   10  C   UNL     1       0.079  -1.155  -2.151  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.113  -2.505  -0.411  1.00  0.00           C  
HETATM   12  S   UNL     1      -4.696   1.235  -0.800  1.00  0.00           S  
HETATM   13  N   UNL     1      -3.720   0.640   0.398  1.00  0.00           N  
HETATM   14  N   UNL     1       7.048   1.062   0.377  1.00  0.00           N  
HETATM   15  C   UNL     1       5.990   0.835  -0.449  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.967  -1.614   0.817  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.698   2.266   1.882  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.899   2.595  -0.442  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.027   0.886  -2.003  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.994  -1.314  -1.104  1.00  0.00           C  
HETATM   21  N   UNL     1       2.429  -0.392  -2.257  1.00  0.00           N  
HETATM   22  C   UNL     1       3.622   0.016  -1.646  1.00  0.00           C  
HETATM   23  O   UNL     1       1.350  -0.383  -0.318  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.960   2.504   0.950  1.00  0.00           O  
HETATM   25  N   UNL     1       7.775   0.387   2.546  1.00  0.00           N  
HETATM   26  C   UNL     1       5.661   1.286  -1.729  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.240   0.296  -0.635  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.557   2.937   3.042  1.00  0.00           N  
HETATM   29  C   UNL     1       4.485   0.877  -2.318  1.00  0.00           C  
HETATM   30 CL   UNL     1      -2.249  -4.155   1.409  1.00  0.00          Cl  
HETATM   31  H   UNL     1       5.354  -0.869   2.151  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.750   1.678   1.902  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.616   0.435   2.483  1.00  0.00           H  
HETATM   34  H   UNL     1       3.266  -1.106   0.143  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.764   0.660  -1.379  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.263  -0.462  -2.919  1.00  0.00           H  
HETATM   37  H   UNL     1       0.291  -2.124  -2.603  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.439  -3.321  -0.624  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.735  -1.731   1.568  1.00  0.00           H  
HETATM   40  H   UNL     1       2.394  -0.514  -3.219  1.00  0.00           H  
HETATM   41  H   UNL     1       7.582  -0.136   3.340  1.00  0.00           H  
HETATM   42  H   UNL     1       8.593   0.906   2.495  1.00  0.00           H  
HETATM   43  H   UNL     1       6.326   1.954  -2.255  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.016  -0.770  -0.618  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.739   0.577   0.293  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.892   0.518  -1.480  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.148   2.747   3.787  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.865   3.610   3.132  1.00  0.00           H  
HETATM   49  H   UNL     1       4.232   1.227  -3.308  1.00  0.00           H  
CONECT    1    4    2   31                                            
CONECT    2   14   14    1   25                                       
CONECT    3   13   16   16    8                                       
CONECT    4    7    7   15    1                                       
CONECT    5   17   13   32   33                                       
CONECT    6   10   21   23   23                                       
CONECT    7   22    4    4   34                                       
CONECT    8    3   20   20   35                                       
CONECT    9   16   30   11   11                                       
CONECT   10   20    6   36   37                                       
CONECT   11    9    9   20   38                                       
CONECT   12   13   18   18   19                                       
CONECT   12   19   27                                                 
CONECT   13    5    3   12                                            
CONECT   14   15    2    2                                            
CONECT   15   26   26    4   14                                       
CONECT   16    3    3    9   39                                       
CONECT   17   28   24   24    5                                       
CONECT   18   12   12                                                 
CONECT   19   12   12                                                 
CONECT   20    8    8   11   10                                       
CONECT   21    6   22   40                                            
CONECT   22   21   29   29    7                                       
CONECT   23    6    6                                                 
CONECT   24   17   17                                                 
CONECT   25    2   41   42                                            
CONECT   26   29   15   15   43                                       
CONECT   27   12   44   45   46                                       
CONECT   28   17   47   48                                            
CONECT   29   22   22   26   49                                       
CONECT   30    9                                                      
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
