COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.346  -3.486   2.302  1.00  0.00           C  
HETATM    2  C   UNL     1       3.047  -4.024   1.058  1.00  0.00           C  
HETATM    3  C   UNL     1       2.196  -3.369   0.195  1.00  0.00           C  
HETATM    4  C   UNL     1       1.629  -2.157   0.572  1.00  0.00           C  
HETATM    5  C   UNL     1       0.194  -1.465  -1.383  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.085  -2.255  -1.280  1.00  0.00           C  
HETATM    7  N   UNL     1       0.091   2.155   1.123  1.00  0.00           N  
HETATM    8  N   UNL     1       2.674   0.647  -1.792  1.00  0.00           N  
HETATM    9  N   UNL     1       4.959   0.733  -2.741  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.301  -1.598  -1.237  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.475  -2.322  -1.143  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.432  -3.704  -1.091  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.215  -4.360  -1.135  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.043  -3.636  -1.235  1.00  0.00           C  
HETATM   15  C   UNL     1       0.515  -0.216   0.775  1.00  0.00           C  
HETATM   16  C   UNL     1       1.192  -0.356   1.926  1.00  0.00           C  
HETATM   17  C   UNL     1       1.935  -1.615   1.834  1.00  0.00           C  
HETATM   18  C   UNL     1       2.800  -2.296   2.693  1.00  0.00           C  
HETATM   19  O   UNL     1       1.592   3.724   1.586  1.00  0.00           O  
HETATM   20  C   UNL     1       1.291   2.740   0.939  1.00  0.00           C  
HETATM   21  C   UNL     1       2.239   2.186  -0.048  1.00  0.00           C  
HETATM   22  C   UNL     1       3.541   2.686  -0.137  1.00  0.00           C  
HETATM   23  C   UNL     1       4.392   2.125  -1.086  1.00  0.00           C  
HETATM   24  C   UNL     1       5.783   2.363  -1.478  1.00  0.00           C  
HETATM   25  C   UNL     1       6.060   1.501  -2.469  1.00  0.00           C  
HETATM   26  C   UNL     1       3.922   1.086  -1.916  1.00  0.00           C  
HETATM   27  C   UNL     1       1.846   1.153  -0.907  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.964   2.625   2.039  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.280   2.053   1.457  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.770   2.882   0.353  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.968   3.503   0.288  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.038   3.461   1.349  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.935   2.326   1.096  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.045   4.145  -0.845  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.911   3.959  -1.537  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.098   3.176  -0.802  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.816   0.663   0.946  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.386   0.944   0.438  1.00  0.00           C  
HETATM   39  C   UNL     1       4.275  -4.224   3.231  1.00  0.00           C  
HETATM   40  N   UNL     1       0.764  -1.281  -0.046  1.00  0.00           N  
HETATM   41 CL   UNL     1      -4.906  -4.614  -0.972  1.00  0.00          Cl  
HETATM   42  H   UNL     1       3.487  -4.966   0.763  1.00  0.00           H  
HETATM   43  H   UNL     1       1.970  -3.796  -0.771  1.00  0.00           H  
HETATM   44  H   UNL     1       0.905  -2.004  -2.010  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.015  -0.491  -1.826  1.00  0.00           H  
HETATM   46  H   UNL     1       4.919   0.041  -3.419  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.334  -0.519  -1.277  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.424  -1.809  -1.109  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.182  -5.439  -1.094  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.093  -4.148  -1.268  1.00  0.00           H  
HETATM   51  H   UNL     1       1.189   0.329   2.761  1.00  0.00           H  
HETATM   52  H   UNL     1       3.037  -1.884   3.662  1.00  0.00           H  
HETATM   53  H   UNL     1       3.877   3.482   0.511  1.00  0.00           H  
HETATM   54  H   UNL     1       6.457   3.091  -1.052  1.00  0.00           H  
HETATM   55  H   UNL     1       7.010   1.424  -2.976  1.00  0.00           H  
HETATM   56  H   UNL     1       0.840   0.765  -0.842  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.794   2.238   3.044  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.996   3.715   2.054  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.039   1.950   2.233  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.574   3.346   2.329  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.610   4.389   1.324  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.661   2.276   1.794  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.328   2.376   0.168  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.687   4.369  -2.511  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.107   2.843  -1.073  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.805  -0.063   1.759  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.452   0.320   0.130  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.400   1.101  -0.641  1.00  0.00           H  
HETATM   69  H   UNL     1       3.698  -4.902   3.859  1.00  0.00           H  
HETATM   70  H   UNL     1       4.996  -4.795   2.647  1.00  0.00           H  
HETATM   71  H   UNL     1       4.804  -3.507   3.860  1.00  0.00           H  
CONECT    1   39    2    2   18                                       
CONECT    2    1    1    3   42                                       
CONECT    3    2    4    4   43                                       
CONECT    4    3    3   17   40                                       
CONECT    5   40    6   44   45                                       
CONECT    6   14    5   10   10                                       
CONECT    7   38   28   20                                            
CONECT    8   27   26   26                                            
CONECT    9   26   25   46                                            
CONECT   10    6    6   11   47                                       
CONECT   11   12   12   10   48                                       
CONECT   12   13   41   11   11                                       
CONECT   13   14   14   12   49                                       
CONECT   14   13   13    6   50                                       
CONECT   15   40   16   16   38                                       
CONECT   16   17   15   15   51                                       
CONECT   17   18   18    4   16                                       
CONECT   18    1   17   17   52                                       
CONECT   19   20   20                                                 
CONECT   20    7   21   19   19                                       
CONECT   21   27   27   20   22                                       
CONECT   22   21   23   23   53                                       
CONECT   23   26   22   22   24                                       
CONECT   24   23   25   25   54                                       
CONECT   25    9   24   24   55                                       
CONECT   26    8    8    9   23                                       
CONECT   27    8   21   21   56                                       
CONECT   28   29    7   57   58                                       
CONECT   29   37   30   28   59                                       
CONECT   30   31   29   36                                            
CONECT   31   32   34   34   30                                       
CONECT   32   33   31   60   61                                       
CONECT   33   32   62   63                                            
CONECT   34   31   31   35                                            
CONECT   35   34   36   36   64                                       
CONECT   36   30   35   35   65                                       
CONECT   37   29   38   66   67                                       
CONECT   38   15   37    7   68                                       
CONECT   39    1   69   70   71                                       
CONECT   40    4    5   15                                            
CONECT   41   12                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
