COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.247   1.465  -0.336  1.00  0.00           C  
HETATM    2  C   UNL     1       5.762   2.749  -0.494  1.00  0.00           C  
HETATM    3  C   UNL     1       3.552   1.863  -0.418  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.284   0.241   0.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.561   1.027   0.015  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.786   1.652   0.659  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.282   0.512   0.037  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.946  -1.029   0.708  1.00  0.00           C  
HETATM    9  O   UNL     1       2.661  -3.870   0.106  1.00  0.00           O  
HETATM   10  C   UNL     1       2.640  -2.656   0.031  1.00  0.00           C  
HETATM   11  N   UNL     1       3.709  -1.841  -0.084  1.00  0.00           N  
HETATM   12  C   UNL     1       5.106  -2.280  -0.140  1.00  0.00           C  
HETATM   13  C   UNL     1       5.658  -2.377   1.259  1.00  0.00           C  
HETATM   14  C   UNL     1       6.196  -3.497   1.674  1.00  0.00           C  
HETATM   15  N   UNL     1       3.277  -0.512  -0.142  1.00  0.00           N  
HETATM   16  C   UNL     1       4.109   0.598  -0.262  1.00  0.00           C  
HETATM   17  N   UNL     1       5.423   0.440  -0.226  1.00  0.00           N  
HETATM   18  C   UNL     1       7.735   1.231  -0.296  1.00  0.00           C  
HETATM   19  C   UNL     1       8.014  -0.273  -0.247  1.00  0.00           C  
HETATM   20  O   UNL     1       8.337   1.789  -1.466  1.00  0.00           O  
HETATM   21  C   UNL     1       8.322   1.899   0.948  1.00  0.00           C  
HETATM   22  C   UNL     1       4.391   2.957  -0.537  1.00  0.00           C  
HETATM   23  C   UNL     1       1.903  -0.469  -0.063  1.00  0.00           C  
HETATM   24  N   UNL     1       1.012   0.510  -0.072  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.184   1.288   0.003  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.428   1.908   0.648  1.00  0.00           C  
HETATM   27 CL   UNL     1      -5.871   2.752   1.450  1.00  0.00          Cl  
HETATM   28  N   UNL     1      -6.658   0.252   0.048  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.461  -1.238   0.770  1.00  0.00           C  
HETATM   30  N   UNL     1      -9.012  -1.215  -0.592  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.504  -2.342  -1.386  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.724   0.066  -1.252  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.209   0.275  -1.314  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.416  -0.362  -0.605  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.058  -0.108  -0.611  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.746  -0.999   0.127  1.00  0.00           N  
HETATM   37  C   UNL     1       0.077  -2.035   0.144  1.00  0.00           C  
HETATM   38  C   UNL     1       1.446  -1.801   0.048  1.00  0.00           C  
HETATM   39  H   UNL     1       6.444   3.582  -0.584  1.00  0.00           H  
HETATM   40  H   UNL     1       2.480   1.989  -0.448  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.490  -1.841   0.141  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.539  -1.017   1.719  1.00  0.00           H  
HETATM   43  H   UNL     1       5.161  -3.257  -0.621  1.00  0.00           H  
HETATM   44  H   UNL     1       5.690  -1.560  -0.712  1.00  0.00           H  
HETATM   45  H   UNL     1       5.611  -1.523   1.918  1.00  0.00           H  
HETATM   46  H   UNL     1       6.592  -3.566   2.677  1.00  0.00           H  
HETATM   47  H   UNL     1       6.243  -4.351   1.015  1.00  0.00           H  
HETATM   48  H   UNL     1       7.595  -0.749  -1.134  1.00  0.00           H  
HETATM   49  H   UNL     1       9.090  -0.442  -0.218  1.00  0.00           H  
HETATM   50  H   UNL     1       7.554  -0.698   0.645  1.00  0.00           H  
HETATM   51  H   UNL     1       8.011   1.412  -2.294  1.00  0.00           H  
HETATM   52  H   UNL     1       7.863   1.474   1.841  1.00  0.00           H  
HETATM   53  H   UNL     1       9.399   1.730   0.978  1.00  0.00           H  
HETATM   54  H   UNL     1       8.124   2.971   0.914  1.00  0.00           H  
HETATM   55  H   UNL     1       3.987   3.951  -0.659  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.864   2.203  -0.018  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.042   2.793   1.132  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.677  -2.201   1.233  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.915  -0.442   1.359  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.789  -3.280  -0.909  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.927  -2.301  -2.389  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.417  -2.282  -1.447  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.131   0.054  -2.263  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.181   0.878  -0.686  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.994   1.238  -1.778  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.756  -0.521  -1.904  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.801  -1.247  -1.089  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.383  -0.792  -1.104  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.305  -3.041   0.230  1.00  0.00           H  
CONECT    1    2   18   17   17                                       
CONECT    2   22   22    1   39                                       
CONECT    3   22   16   16   40                                       
CONECT    4   24   25   36   36                                       
CONECT    5   35   35   26   25                                       
CONECT    6    7   27   26   26                                       
CONECT    7   28   34   34    6                                       
CONECT    8   29   28   41   42                                       
CONECT    9   10   10                                                 
CONECT   10   11   38    9    9                                       
CONECT   11   15   12   10                                            
CONECT   12   13   11   43   44                                       
CONECT   13   14   14   12   45                                       
CONECT   14   13   13   46   47                                       
CONECT   15   16   11   23                                            
CONECT   16    3    3   17   15                                       
CONECT   17    1    1   16                                            
CONECT   18   21   19    1   20                                       
CONECT   19   18   48   49   50                                       
CONECT   20   18   51                                                 
CONECT   21   18   52   53   54                                       
CONECT   22    2    2    3   55                                       
CONECT   23   15   24   24   38                                       
CONECT   24   23   23    4                                            
CONECT   25    5    4   56                                            
CONECT   26    6    6    5   57                                       
CONECT   27    6                                                      
CONECT   28    8   33    7                                            
CONECT   29   30    8   58   59                                       
CONECT   30   31   29   32                                            
CONECT   31   30   60   61   62                                       
CONECT   32   30   33   63   64                                       
CONECT   33   32   28   65   66                                       
CONECT   34    7    7   35   67                                       
CONECT   35   34    5    5   68                                       
CONECT   36    4    4   37                                            
CONECT   37   38   38   36   69                                       
CONECT   38   23   10   37   37                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
