COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.243   0.350  -0.821  1.00  0.00           C  
HETATM    2  O   UNL     1       3.123  -0.573  -1.602  1.00  0.00           O  
HETATM    3  O   UNL     1       4.469   0.790  -0.481  1.00  0.00           O  
HETATM    4  C   UNL     1       5.603   0.115  -1.086  1.00  0.00           C  
HETATM    5  C   UNL     1       6.882   0.739  -0.591  1.00  0.00           C  
HETATM    6  C   UNL     1       7.494   0.250   0.548  1.00  0.00           C  
HETATM    7  C   UNL     1       8.667   0.823   1.002  1.00  0.00           C  
HETATM    8  C   UNL     1       9.229   1.884   0.317  1.00  0.00           C  
HETATM    9  C   UNL     1       8.618   2.372  -0.823  1.00  0.00           C  
HETATM   10  C   UNL     1       7.447   1.796  -1.280  1.00  0.00           C  
HETATM   11  N   UNL     1       2.147   0.938  -0.299  1.00  0.00           N  
HETATM   12  C   UNL     1       0.813   0.463  -0.674  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.185   1.577  -0.494  1.00  0.00           C  
HETATM   14  O   UNL     1       0.182   2.662  -0.093  1.00  0.00           O  
HETATM   15  C   UNL     1       0.424  -0.719   0.217  1.00  0.00           C  
HETATM   16  C   UNL     1       1.363  -1.895  -0.057  1.00  0.00           C  
HETATM   17  C   UNL     1       0.974  -3.077   0.833  1.00  0.00           C  
HETATM   18  N   UNL     1       1.874  -4.203   0.571  1.00  0.00           N  
HETATM   19  C   UNL     1       1.717  -5.377   1.255  1.00  0.00           C  
HETATM   20  N   UNL     1       0.746  -5.497   2.159  1.00  0.00           N  
HETATM   21  N   UNL     1       2.535  -6.401   1.017  1.00  0.00           N1+
HETATM   22  C   UNL     1      -2.925   2.482   0.827  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.714   1.538   1.550  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.457   2.453  -0.605  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.486   1.369  -0.780  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.654   2.218  -1.528  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.339   1.030  -1.128  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.479   0.718  -1.930  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.120  -0.548  -1.421  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.106  -0.483  -0.455  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.694  -1.643   0.012  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.297  -2.869  -0.488  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.311  -2.934  -1.456  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.727  -1.773  -1.926  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.655   3.689   1.356  1.00  0.00           C  
HETATM   36 CL   UNL     1      -4.080   3.423   3.088  1.00  0.00          Cl  
HETATM   37  H   UNL     1       5.584  -0.941  -0.814  1.00  0.00           H  
HETATM   38  H   UNL     1       5.547   0.212  -2.170  1.00  0.00           H  
HETATM   39  H   UNL     1       7.055  -0.578   1.084  1.00  0.00           H  
HETATM   40  H   UNL     1       9.145   0.442   1.892  1.00  0.00           H  
HETATM   41  H   UNL     1      10.146   2.332   0.672  1.00  0.00           H  
HETATM   42  H   UNL     1       9.056   3.201  -1.359  1.00  0.00           H  
HETATM   43  H   UNL     1       6.971   2.175  -2.172  1.00  0.00           H  
HETATM   44  H   UNL     1       2.243   1.675   0.324  1.00  0.00           H  
HETATM   45  H   UNL     1       0.820   0.146  -1.717  1.00  0.00           H  
HETATM   46  H   UNL     1       0.503  -0.426   1.264  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.602  -1.015  -0.001  1.00  0.00           H  
HETATM   48  H   UNL     1       1.284  -2.187  -1.104  1.00  0.00           H  
HETATM   49  H   UNL     1       2.389  -1.598   0.161  1.00  0.00           H  
HETATM   50  H   UNL     1       1.053  -2.784   1.880  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.052  -3.373   0.616  1.00  0.00           H  
HETATM   52  H   UNL     1       2.581  -4.116  -0.087  1.00  0.00           H  
HETATM   53  H   UNL     1       0.150  -4.751   2.333  1.00  0.00           H  
HETATM   54  H   UNL     1       0.635  -6.329   2.644  1.00  0.00           H  
HETATM   55  H   UNL     1       2.423  -7.234   1.502  1.00  0.00           H  
HETATM   56  H   UNL     1       3.242  -6.314   0.359  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.987   3.405  -0.854  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.780   0.502  -1.101  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.334   3.068  -1.465  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.305   2.109  -2.555  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.197   1.536  -1.875  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.168   0.577  -2.965  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.417   0.475  -0.064  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.464  -1.593   0.768  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.755  -3.776  -0.123  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.001  -3.892  -1.847  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.959  -1.823  -2.684  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.016   4.568   1.270  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.566   3.845   0.778  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   37   38                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8    8   40                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10   42                                       
CONECT   10    5    9    9   43                                       
CONECT   11   12   44    1                                            
CONECT   12   11   13   15   45                                       
CONECT   13   12   14   14   25                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   46   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   52                                            
CONECT   19   18   20   21   21                                       
CONECT   20   19   53   54                                            
CONECT   21   19   19   55   56                                       
CONECT   22   35   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   26   57                                       
CONECT   25   24   58   13                                            
CONECT   26   24   27   59   60                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   61   62                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   63                                       
CONECT   31   30   32   32   64                                       
CONECT   32   31   31   33   65                                       
CONECT   33   32   34   34   66                                       
CONECT   34   29   33   33   67                                       
CONECT   35   22   68   69   36                                       
CONECT   36   35                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
