COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.394  -1.492  -0.162  1.00  0.00           N  
HETATM    2  C   UNL     1       5.460  -0.174  -0.247  1.00  0.00           C  
HETATM    3  C   UNL     1       4.230  -2.114  -0.013  1.00  0.00           C  
HETATM    4  C   UNL     1       3.059  -1.338   0.055  1.00  0.00           C  
HETATM    5  C   UNL     1       3.182   0.058  -0.040  1.00  0.00           C  
HETATM    6  C   UNL     1       1.063  -0.504   0.199  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.434   1.487   1.483  1.00  0.00           C  
HETATM    8  C   UNL     1       0.578   2.203  -1.172  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.613   0.871   0.473  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.952  -0.852  -1.686  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.729  -0.710  -0.818  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.727   0.093  -1.123  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.573  -1.382   0.325  1.00  0.00           C  
HETATM   14  S   UNL     1      -5.018  -0.927   1.018  1.00  0.00           S  
HETATM   15  C   UNL     1      -4.730   0.128  -0.295  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.592   0.912  -0.452  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.724   0.150   1.442  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.380   1.720   0.303  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.674   1.340  -1.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.818   2.350   1.311  1.00  0.00           C  
HETATM   21  C   UNL     1       1.524   1.970   0.007  1.00  0.00           C  
HETATM   22  N   UNL     1       1.907   0.557   0.054  1.00  0.00           N  
HETATM   23  N   UNL     1       1.741  -1.615   0.199  1.00  0.00           N  
HETATM   24  N   UNL     1       4.390   0.592  -0.188  1.00  0.00           N  
HETATM   25 CL   UNL     1       7.015   0.574  -0.442  1.00  0.00          Cl  
HETATM   26  N   UNL     1       4.171  -3.494   0.074  1.00  0.00           N  
HETATM   27  H   UNL     1      -0.010  -0.433   0.298  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.937   1.758   2.411  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.148   0.436   1.517  1.00  0.00           H  
HETATM   30  H   UNL     1       1.081   1.932  -2.100  1.00  0.00           H  
HETATM   31  H   UNL     1       0.292   3.254  -1.207  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.700  -0.120  -1.382  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.680  -0.683  -2.727  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.361  -1.856  -1.575  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.276  -2.082   0.750  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.504   1.489  -1.227  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.665   2.772   0.269  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.348   1.506  -1.840  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.389   0.289  -0.965  1.00  0.00           H  
HETATM   40  H   UNL     1       0.533   3.401   1.276  1.00  0.00           H  
HETATM   41  H   UNL     1       1.492   2.184   2.151  1.00  0.00           H  
HETATM   42  H   UNL     1       2.416   2.584  -0.115  1.00  0.00           H  
HETATM   43  H   UNL     1       4.985  -4.018   0.026  1.00  0.00           H  
HETATM   44  H   UNL     1       3.315  -3.936   0.184  1.00  0.00           H  
CONECT    1    2    3    3                                            
CONECT    2   25   24   24    1                                       
CONECT    3    1    1    4   26                                       
CONECT    4    5    5    3   23                                       
CONECT    5   24   22    4    4                                       
CONECT    6   22   23   23   27                                       
CONECT    7   18   20   28   29                                       
CONECT    8   19   21   30   31                                       
CONECT    9   18   16   17   17                                       
CONECT   10   11   32   33   34                                       
CONECT   11   12   10   13   13                                       
CONECT   12   15   15   11                                            
CONECT   13   11   11   14   35                                       
CONECT   14   15   13                                                 
CONECT   15   16   12   12   14                                       
CONECT   16    9   15   36                                            
CONECT   17    9    9                                                 
CONECT   18   19    7    9   37                                       
CONECT   19   18    8   38   39                                       
CONECT   20    7   21   40   41                                       
CONECT   21    8   20   22   42                                       
CONECT   22   21    5    6                                            
CONECT   23    4    6    6                                            
CONECT   24    2    2    5                                            
CONECT   25    2                                                      
CONECT   26    3   43   44                                            
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
