COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.427   1.232   0.022  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.102   3.072  -0.005  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.328   1.416   0.007  1.00  0.00           C  
HETATM    4  C   UNL     1       1.054   0.874   0.012  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.703   1.107  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.928   0.450   0.911  1.00  0.00           C  
HETATM    7  C   UNL     1       6.180  -2.634   0.951  1.00  0.00           C  
HETATM    8  C   UNL     1       5.572  -3.060  -0.409  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.426   0.552   0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       5.034  -0.686   0.032  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.124  -1.614  -0.932  1.00  0.00           C  
HETATM   12  C   UNL     1       5.301  -1.425   1.359  1.00  0.00           C  
HETATM   13  C   UNL     1       1.265  -0.503   0.011  1.00  0.00           C  
HETATM   14  C   UNL     1       2.552  -1.001   0.009  1.00  0.00           C  
HETATM   15  C   UNL     1       3.631  -0.136   0.020  1.00  0.00           C  
HETATM   16  C   UNL     1       2.144   1.741   0.018  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.837   2.503  -0.001  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.768   3.284   0.011  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.546   2.791   0.014  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.903   0.236  -0.009  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.040  -0.366   0.903  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.139  -1.397  -0.016  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.010  -0.800  -0.936  1.00  0.00           C  
HETATM   24 CL   UNL     1      -7.539  -2.424  -0.016  1.00  0.00          Cl  
HETATM   25  C   UNL     1       5.207  -1.727  -1.094  1.00  0.00           C  
HETATM   26  C   UNL     1       6.028   0.433  -0.145  1.00  0.00           C  
HETATM   27  O   UNL     1       6.871   0.631   0.698  1.00  0.00           O  
HETATM   28  O   UNL     1       5.977   1.209  -1.239  1.00  0.00           O  
HETATM   29  H   UNL     1       4.273   1.903   0.031  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.889   2.504  -0.009  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.200   4.037  -0.004  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.850   1.251   1.631  1.00  0.00           H  
HETATM   33  H   UNL     1       6.094  -3.438   1.681  1.00  0.00           H  
HETATM   34  H   UNL     1       7.220  -2.332   0.831  1.00  0.00           H  
HETATM   35  H   UNL     1       6.307  -3.604  -1.002  1.00  0.00           H  
HETATM   36  H   UNL     1       4.681  -3.669  -0.255  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.288  -0.520   0.000  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.208  -2.417  -1.649  1.00  0.00           H  
HETATM   39  H   UNL     1       4.365  -1.768   1.800  1.00  0.00           H  
HETATM   40  H   UNL     1       5.837  -0.780   2.054  1.00  0.00           H  
HETATM   41  H   UNL     1       0.423  -1.180   0.006  1.00  0.00           H  
HETATM   42  H   UNL     1       2.717  -2.069   0.008  1.00  0.00           H  
HETATM   43  H   UNL     1       1.986   2.810   0.020  1.00  0.00           H  
HETATM   44  H   UNL     1       0.299   3.464   0.023  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.835  -0.201   1.616  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.218  -0.970  -1.651  1.00  0.00           H  
HETATM   47  H   UNL     1       6.008  -1.420  -1.766  1.00  0.00           H  
HETATM   48  H   UNL     1       4.275  -1.835  -1.649  1.00  0.00           H  
HETATM   49  H   UNL     1       6.635   1.914  -1.308  1.00  0.00           H  
CONECT    1   16   15   15   29                                       
CONECT    2   17   30   31                                            
CONECT    3    9    9   19    4                                       
CONECT    4    3   16   16   13                                       
CONECT    5   20   17   17    9                                       
CONECT    6   21   21   20   32                                       
CONECT    7   12    8   33   34                                       
CONECT    8   25    7   35   36                                       
CONECT    9    5    3    3   37                                       
CONECT   10   15   25   12   26                                       
CONECT   11   22   22   23   38                                       
CONECT   12   10    7   39   40                                       
CONECT   13    4   14   14   41                                       
CONECT   14   13   13   15   42                                       
CONECT   15    1    1   14   10                                       
CONECT   16    4    4    1   43                                       
CONECT   17    2    5    5   18                                       
CONECT   18   17   19   19                                            
CONECT   19   18   18    3   44                                       
CONECT   20   23   23    6    5                                       
CONECT   21   22    6    6   45                                       
CONECT   22   24   11   11   21                                       
CONECT   23   11   20   20   46                                       
CONECT   24   22                                                      
CONECT   25   10    8   47   48                                       
CONECT   26   10   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   49                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
