COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.594   2.574   0.270  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.399   1.090   0.096  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.211   0.448  -0.047  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.476  -0.923  -0.178  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.771  -1.100  -0.118  1.00  0.00           N  
HETATM    6  N   UNL     1      -4.379   0.149   0.060  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.818   0.399   0.183  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.531  -0.087  -1.081  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.039   0.120  -0.922  1.00  0.00           C  
HETATM   10  N   UNL     1      -8.516  -0.628   0.249  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.880  -0.147   1.481  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.367  -0.361   1.394  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.939   1.051  -0.060  1.00  0.00           N  
HETATM   14  C   UNL     1       0.196   0.272  -0.214  1.00  0.00           C  
HETATM   15  N   UNL     1       0.064  -1.040  -0.348  1.00  0.00           N  
HETATM   16  C   UNL     1       1.123  -1.822  -0.498  1.00  0.00           C  
HETATM   17  C   UNL     1       2.384  -1.258  -0.515  1.00  0.00           C  
HETATM   18  C   UNL     1       2.495   0.134  -0.371  1.00  0.00           C  
HETATM   19  N   UNL     1       1.382   0.858  -0.229  1.00  0.00           N  
HETATM   20  C   UNL     1       3.816   0.785  -0.382  1.00  0.00           C  
HETATM   21  C   UNL     1       4.157   1.945  -1.044  1.00  0.00           C  
HETATM   22  N   UNL     1       5.438   2.200  -0.804  1.00  0.00           N  
HETATM   23  C   UNL     1       5.941   1.257  -0.014  1.00  0.00           C  
HETATM   24  N   UNL     1       4.950   0.358   0.273  1.00  0.00           N  
HETATM   25  C   UNL     1       5.200  -0.715   1.076  1.00  0.00           C  
HETATM   26  C   UNL     1       6.428  -0.908   1.604  1.00  0.00           C  
HETATM   27  C   UNL     1       7.464  -0.002   1.331  1.00  0.00           C  
HETATM   28  C   UNL     1       7.228   1.069   0.525  1.00  0.00           C  
HETATM   29 CL   UNL     1       3.798  -2.246  -0.708  1.00  0.00          Cl  
HETATM   30  H   UNL     1      -3.704   3.043  -0.708  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.490   2.756   0.863  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.728   2.997   0.780  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.737  -1.700  -0.308  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.857   2.013   0.039  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.993   1.467   0.313  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.175   0.481  -1.941  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.323  -1.146  -1.232  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.156  -1.425   1.281  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.893   0.010   2.302  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.248   1.181  -0.785  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.551  -0.238  -1.815  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.522  -0.585   0.320  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.089   0.916   1.607  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.276  -0.698   2.334  1.00  0.00           H  
HETATM   45  H   UNL     1       1.002  -2.890  -0.606  1.00  0.00           H  
HETATM   46  H   UNL     1       3.496   2.542  -1.655  1.00  0.00           H  
HETATM   47  H   UNL     1       8.018   1.773   0.308  1.00  0.00           H  
HETATM   48  H   UNL     1       4.408  -1.417   1.291  1.00  0.00           H  
HETATM   49  H   UNL     1       6.613  -1.762   2.239  1.00  0.00           H  
HETATM   50  H   UNL     1       8.446  -0.157   1.754  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   13                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6                                            
CONECT    6    2    5    7                                            
CONECT    7    6    8   12   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   10   40   41                                       
CONECT   10    9   11   42                                            
CONECT   11   10   12   43   44                                       
CONECT   12    7   11   38   39                                       
CONECT   13    3   14   34                                            
CONECT   14   13   15   19   19                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   45                                       
CONECT   17   16   18   18   29                                       
CONECT   18   17   17   19   20                                       
CONECT   19   14   14   18                                            
CONECT   20   18   21   21   24                                       
CONECT   21   20   20   22   46                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   28                                       
CONECT   24   20   23   25                                            
CONECT   25   24   26   26   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   26   28   28   50                                       
CONECT   28   23   27   27   47                                       
CONECT   29   17                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34   13                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   28                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
