COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.814   1.255  -1.461  1.00  0.00           C  
HETATM    2  C   UNL     1       3.806   0.928  -0.375  1.00  0.00           C  
HETATM    3  C   UNL     1       4.381  -1.612  -0.775  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.566   0.562  -0.235  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.810   0.275  -1.768  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.373   0.928   0.521  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.426  -0.717  -0.347  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.804   0.054   0.756  1.00  0.00           C  
HETATM    9  C   UNL     1       0.539   0.859  -2.193  1.00  0.00           C  
HETATM   10  C   UNL     1       0.977   1.512   0.097  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.320  -1.703  -0.814  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.034  -0.155   1.373  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.529  -1.895  -0.194  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.891  -1.124   0.900  1.00  0.00           C  
HETATM   15  N   UNL     1       1.482   0.773  -1.069  1.00  0.00           N  
HETATM   16  C   UNL     1       4.450  -0.368  -0.145  1.00  0.00           C  
HETATM   17  C   UNL     1       5.289  -0.192   0.971  1.00  0.00           C  
HETATM   18  N   UNL     1       5.154   1.117   1.378  1.00  0.00           N  
HETATM   19  C   UNL     1       4.272   1.769   0.561  1.00  0.00           C  
HETATM   20  C   UNL     1       6.042  -1.266   1.434  1.00  0.00           C  
HETATM   21  C   UNL     1       5.959  -2.485   0.797  1.00  0.00           C  
HETATM   22  C   UNL     1       5.130  -2.653  -0.304  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.316   1.014  -0.603  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.209  -0.387  -0.826  1.00  0.00           N  
HETATM   25  S   UNL     1      -3.506   1.191   1.111  1.00  0.00           S  
HETATM   26  H   UNL     1       2.780   2.334  -1.609  1.00  0.00           H  
HETATM   27  H   UNL     1       3.117   0.769  -2.388  1.00  0.00           H  
HETATM   28  H   UNL     1       3.738  -1.750  -1.631  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.520   0.364  -2.591  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.687  -0.776  -1.507  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.244  -0.115   0.809  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.763   1.493   1.367  1.00  0.00           H  
HETATM   33  H   UNL     1       0.930   0.293  -3.039  1.00  0.00           H  
HETATM   34  H   UNL     1       0.410   1.902  -2.480  1.00  0.00           H  
HETATM   35  H   UNL     1       0.853   2.563  -0.165  1.00  0.00           H  
HETATM   36  H   UNL     1       1.686   1.423   0.919  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.051  -2.311  -1.666  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.317   0.445   2.226  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.205  -2.653  -0.562  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.845  -1.283   1.381  1.00  0.00           H  
HETATM   41  H   UNL     1       5.619   1.517   2.130  1.00  0.00           H  
HETATM   42  H   UNL     1       3.986   2.806   0.660  1.00  0.00           H  
HETATM   43  H   UNL     1       6.690  -1.145   2.289  1.00  0.00           H  
HETATM   44  H   UNL     1       6.545  -3.317   1.157  1.00  0.00           H  
HETATM   45  H   UNL     1       5.077  -3.615  -0.792  1.00  0.00           H  
CONECT    1    2   15   26   27                                       
CONECT    2   19   19   16    1                                       
CONECT    3   16   16   22   28                                       
CONECT    4   24   24   23   25                                       
CONECT    5    9   23   29   30                                       
CONECT    6   10   23   31   32                                       
CONECT    7   24   11   11    8                                       
CONECT    8    7   25   12   12                                       
CONECT    9    5   15   33   34                                       
CONECT   10   15    6   35   36                                       
CONECT   11    7    7   13   37                                       
CONECT   12    8    8   14   38                                       
CONECT   13   11   14   14   39                                       
CONECT   14   13   13   12   40                                       
CONECT   15    9    1   10                                            
CONECT   16   17    2    3    3                                       
CONECT   17   20   20   18   16                                       
CONECT   18   17   19   41                                            
CONECT   19   18    2    2   42                                       
CONECT   20   17   17   21   43                                       
CONECT   21   20   22   22   44                                       
CONECT   22   21   21    3   45                                       
CONECT   23    5    4    6                                            
CONECT   24    7    4    4                                            
CONECT   25    4    8                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
