COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.667  -1.576   1.845  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.387   0.557  -1.452  1.00  0.00           C  
HETATM    3  C   UNL     1       1.910  -2.207   0.675  1.00  0.00           C  
HETATM    4  C   UNL     1       0.465  -1.781   0.722  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.002   0.383   0.716  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.760  -1.904  -0.116  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.716  -2.826  -0.522  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.058  -2.514  -0.430  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.451  -1.280   0.070  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.494   0.637   0.941  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.236   0.502  -0.392  1.00  0.00           C  
HETATM   12  N   UNL     1       5.910  -2.953   2.494  1.00  0.00           N  
HETATM   13  N   UNL     1       4.684  -2.732   2.820  1.00  0.00           N  
HETATM   14  C   UNL     1       4.089  -2.078   1.864  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.397  -2.218  -0.216  1.00  0.00           N  
HETATM   16  C   UNL     1       7.468  -2.485   0.572  1.00  0.00           C  
HETATM   17  C   UNL     1       6.153  -2.456   1.308  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.811  -0.964   0.164  1.00  0.00           N  
HETATM   19  N   UNL     1      -9.677   0.687  -0.173  1.00  0.00           N1+
HETATM   20  C   UNL     1      -9.918   2.023   0.388  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.164  -0.333   0.765  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.982  -0.894  -0.969  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.475  -1.104  -1.138  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.495  -0.358   0.476  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.153  -0.670   0.383  1.00  0.00           C  
HETATM   26  O   UNL     1       0.079  -1.045   1.606  1.00  0.00           O  
HETATM   27  N   UNL     1       2.708  -0.119   1.683  1.00  0.00           N  
HETATM   28  C   UNL     1       3.234   0.436   0.645  1.00  0.00           C  
HETATM   29  C   UNL     1       3.186   1.916   0.606  1.00  0.00           C  
HETATM   30  C   UNL     1       2.178   2.601   1.284  1.00  0.00           C  
HETATM   31  C   UNL     1       2.138   3.980   1.244  1.00  0.00           C  
HETATM   32  C   UNL     1       3.097   4.682   0.533  1.00  0.00           C  
HETATM   33 CL   UNL     1       3.040   6.417   0.486  1.00  0.00          Cl  
HETATM   34  C   UNL     1       4.100   4.006  -0.141  1.00  0.00           C  
HETATM   35  C   UNL     1       4.153   2.629  -0.104  1.00  0.00           C  
HETATM   36  C   UNL     1       3.875  -0.217  -0.502  1.00  0.00           C  
HETATM   37  C   UNL     1       4.740  -1.307  -0.371  1.00  0.00           C  
HETATM   38  C   UNL     1       5.357  -1.841  -1.497  1.00  0.00           C  
HETATM   39  C   UNL     1       5.096  -1.328  -2.750  1.00  0.00           C  
HETATM   40  C   UNL     1       4.212  -0.266  -2.894  1.00  0.00           C  
HETATM   41  O   UNL     1       3.941   0.229  -4.131  1.00  0.00           O  
HETATM   42  C   UNL     1       4.601  -0.391  -5.237  1.00  0.00           C  
HETATM   43  C   UNL     1       3.608   0.287  -1.783  1.00  0.00           C  
HETATM   44  N   UNL     1       4.991  -1.907   0.867  1.00  0.00           N  
HETATM   45  H   UNL     1       2.173  -1.829   2.783  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.208  -0.435  -1.868  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.456   0.694  -1.289  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.025   1.313  -2.147  1.00  0.00           H  
HETATM   49  H   UNL     1       2.355  -1.879  -0.265  1.00  0.00           H  
HETATM   50  H   UNL     1       1.971  -3.293   0.746  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.609   1.121   0.017  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.472   0.465   1.666  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.410  -3.786  -0.911  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.801  -3.231  -0.746  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.884  -0.092   1.651  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.636   1.643   1.336  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.872   1.256  -1.090  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.075  -2.749  -0.961  1.00  0.00           H  
HETATM   59  H   UNL     1       8.086  -1.649   0.900  1.00  0.00           H  
HETATM   60  H   UNL     1       7.982  -3.422   0.785  1.00  0.00           H  
HETATM   61  H   UNL     1       7.286  -2.405  -0.500  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.556   2.780  -0.308  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.987   2.161   0.550  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.391   2.120   1.337  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.637  -0.236   1.714  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.233  -0.196   0.928  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.985  -1.324   0.349  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.380  -1.647  -0.289  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.473  -0.982  -1.938  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.080  -0.359  -1.829  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.290  -2.102  -1.535  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.800   0.602   0.865  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.409   0.047   0.699  1.00  0.00           H  
HETATM   74  H   UNL     1       1.430   2.054   1.838  1.00  0.00           H  
HETATM   75  H   UNL     1       1.358   4.512   1.768  1.00  0.00           H  
HETATM   76  H   UNL     1       4.845   4.560  -0.694  1.00  0.00           H  
HETATM   77  H   UNL     1       4.938   2.103  -0.626  1.00  0.00           H  
HETATM   78  H   UNL     1       6.046  -2.666  -1.390  1.00  0.00           H  
HETATM   79  H   UNL     1       5.579  -1.750  -3.619  1.00  0.00           H  
HETATM   80  H   UNL     1       5.680  -0.299  -5.114  1.00  0.00           H  
HETATM   81  H   UNL     1       4.328  -1.446  -5.277  1.00  0.00           H  
HETATM   82  H   UNL     1       4.296   0.098  -6.162  1.00  0.00           H  
HETATM   83  H   UNL     1       2.924   1.114  -1.900  1.00  0.00           H  
CONECT    1   14   27    3   45                                       
CONECT    2   19   46   47   48                                       
CONECT    3    1    4   49   50                                       
CONECT    4    3   26   26   15                                       
CONECT    5   18   10   51   52                                       
CONECT    6   15    7    7   25                                       
CONECT    7    6    6    8   53                                       
CONECT    8    7    9    9   54                                       
CONECT    9    8    8   24   18                                       
CONECT   10    5   11   55   56                                       
CONECT   11   10   22   19   57                                       
CONECT   12   17   17   13                                            
CONECT   13   12   14   14                                            
CONECT   14   44   13   13    1                                       
CONECT   15    4    6   58                                            
CONECT   16   17   59   60   61                                       
CONECT   17   16   44   12   12                                       
CONECT   18    9    5   23                                            
CONECT   19   11   21   20    2                                       
CONECT   20   19   62   63   64                                       
CONECT   21   19   65   66   67                                       
CONECT   22   23   11   68   69                                       
CONECT   23   18   22   70   71                                       
CONECT   24   25   25    9   72                                       
CONECT   25    6   24   24   73                                       
CONECT   26    4    4                                                 
CONECT   27   28   28    1                                            
CONECT   28   36   29   27   27                                       
CONECT   29   30   28   35   35                                       
CONECT   30   31   31   29   74                                       
CONECT   31   30   30   32   75                                       
CONECT   32   31   33   34   34                                       
CONECT   33   32                                                      
CONECT   34   32   32   35   76                                       
CONECT   35   29   29   34   77                                       
CONECT   36   43   43   37   28                                       
CONECT   37   38   38   36   44                                       
CONECT   38   39   37   37   78                                       
CONECT   39   40   40   38   79                                       
CONECT   40   41   39   39   43                                       
CONECT   41   42   40                                                 
CONECT   42   41   80   81   82                                       
CONECT   43   40   36   36   83                                       
CONECT   44   17   37   14                                            
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
