COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       3.674  -1.120  -1.915  1.00  0.00           N  
HETATM    2  C   UNL     1       3.547  -0.662  -0.525  1.00  0.00           C  
HETATM    3  C   UNL     1       2.099  -0.706  -0.111  1.00  0.00           C  
HETATM    4  O   UNL     1       1.314  -1.398  -0.725  1.00  0.00           O  
HETATM    5  C   UNL     1       4.366  -1.576   0.390  1.00  0.00           C  
HETATM    6  C   UNL     1       5.830  -1.438   0.056  1.00  0.00           C  
HETATM    7  C   UNL     1       6.599  -0.488   0.701  1.00  0.00           C  
HETATM    8  C   UNL     1       6.403  -2.266  -0.890  1.00  0.00           C  
HETATM    9  C   UNL     1       7.941  -0.362   0.396  1.00  0.00           C  
HETATM   10  C   UNL     1       7.746  -2.140  -1.196  1.00  0.00           C  
HETATM   11  C   UNL     1       8.514  -1.186  -0.555  1.00  0.00           C  
HETATM   12  N   UNL     1       1.676   0.023   0.941  1.00  0.00           N  
HETATM   13  C   UNL     1       0.297   0.073   1.449  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.630   0.567   0.369  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.190   0.852  -0.725  1.00  0.00           O  
HETATM   16  C   UNL     1       0.284   1.054   2.641  1.00  0.00           C  
HETATM   17  C   UNL     1       1.536   1.933   2.381  1.00  0.00           C  
HETATM   18  C   UNL     1       2.520   0.897   1.775  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.949   0.692   0.618  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.851   1.171  -0.432  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.857   2.701  -0.440  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.736   3.170  -1.464  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.266   0.657  -0.163  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.286  -0.868  -0.279  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.701  -1.382  -0.010  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.720  -2.843  -0.121  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.885  -3.530   0.080  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.004  -2.870   0.376  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.902  -4.858  -0.021  1.00  0.00           N1+
HETATM   30  C   UNL     1      -1.441   3.216  -0.709  1.00  0.00           C  
HETATM   31 CL   UNL     1      -1.418   5.013  -0.572  1.00  0.00          Cl  
HETATM   32  H   UNL     1       4.626  -1.039  -2.237  1.00  0.00           H  
HETATM   33  H   UNL     1       3.337  -2.066  -2.016  1.00  0.00           H  
HETATM   34  H   UNL     1       3.917   0.360  -0.443  1.00  0.00           H  
HETATM   35  H   UNL     1       4.202  -1.291   1.429  1.00  0.00           H  
HETATM   36  H   UNL     1       4.056  -2.610   0.243  1.00  0.00           H  
HETATM   37  H   UNL     1       6.152   0.156   1.444  1.00  0.00           H  
HETATM   38  H   UNL     1       5.803  -3.011  -1.391  1.00  0.00           H  
HETATM   39  H   UNL     1       8.542   0.380   0.899  1.00  0.00           H  
HETATM   40  H   UNL     1       8.194  -2.787  -1.936  1.00  0.00           H  
HETATM   41  H   UNL     1       9.563  -1.088  -0.794  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.013  -0.918   1.779  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.622   1.661   2.631  1.00  0.00           H  
HETATM   44  H   UNL     1       0.379   0.516   3.584  1.00  0.00           H  
HETATM   45  H   UNL     1       1.314   2.729   1.671  1.00  0.00           H  
HETATM   46  H   UNL     1       1.927   2.341   3.313  1.00  0.00           H  
HETATM   47  H   UNL     1       3.000   0.320   2.564  1.00  0.00           H  
HETATM   48  H   UNL     1       3.268   1.400   1.162  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.301   0.464   1.493  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.509   0.805  -1.400  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.574   0.949   0.841  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.953   1.086  -0.893  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.978  -1.160  -1.283  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.599  -1.297   0.451  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.009  -1.090   0.994  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.388  -0.954  -0.740  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.905  -3.323  -0.337  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.992  -1.903   0.450  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.831  -3.357   0.519  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.088  -5.338  -0.237  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.729  -5.345   0.121  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.754   2.787   0.021  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.133   2.924  -1.713  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.198   3.068   0.528  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.653   2.881  -1.357  1.00  0.00           H  
CONECT    1    2   32   33                                            
CONECT    2    1    3    5   34                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   35   36                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   37                                       
CONECT    8    6   10   10   38                                       
CONECT    9    7   11   11   39                                       
CONECT   10    8    8   11   40                                       
CONECT   11    9    9   10   41                                       
CONECT   12    3   13   18                                            
CONECT   13   12   14   16   42                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   43   44                                       
CONECT   17   16   18   45   46                                       
CONECT   18   12   17   47   48                                       
CONECT   19   14   20   49                                            
CONECT   20   19   21   23   50                                       
CONECT   21   20   22   30   64                                       
CONECT   22   21   65                                                 
CONECT   23   20   24   51   52                                       
CONECT   24   23   25   53   54                                       
CONECT   25   24   26   55   56                                       
CONECT   26   25   27   57                                            
CONECT   27   26   28   29   29                                       
CONECT   28   27   58   59                                            
CONECT   29   27   27   60   61                                       
CONECT   30   21   62   63   31                                       
CONECT   31   30                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
