COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.339   0.602  -0.928  1.00  0.00           C  
HETATM    2  C   UNL     1       5.531   0.353   1.788  1.00  0.00           C  
HETATM    3  C   UNL     1       7.527   0.598   0.474  1.00  0.00           C  
HETATM    4  C   UNL     1       5.421   1.375  -0.382  1.00  0.00           C  
HETATM    5  C   UNL     1       0.519  -0.415  -1.055  1.00  0.00           C  
HETATM    6  C   UNL     1       1.190   0.537  -0.062  1.00  0.00           C  
HETATM    7  C   UNL     1       2.100  -2.201  -0.320  1.00  0.00           C  
HETATM    8  C   UNL     1       0.625  -1.849  -0.530  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.413   0.342   0.085  1.00  0.00           C  
HETATM   10  C   UNL     1      11.027   0.604  -0.907  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.965   3.764   0.336  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.324   1.204   1.180  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.150   2.306   1.254  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.066   2.558   0.248  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.158   1.708  -0.840  1.00  0.00           C  
HETATM   16  C   UNL     1       8.984   0.411   0.312  1.00  0.00           C  
HETATM   17  C   UNL     1       6.892   0.175   1.643  1.00  0.00           C  
HETATM   18  C   UNL     1       6.781   1.198  -0.542  1.00  0.00           C  
HETATM   19  C   UNL     1       4.797   0.949   0.779  1.00  0.00           C  
HETATM   20  C   UNL     1       3.310   1.134   0.942  1.00  0.00           C  
HETATM   21  C   UNL     1       2.725  -1.197   0.651  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.122  -1.963   0.800  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.976  -0.378   0.781  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.265  -2.505  -0.696  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.384  -2.642   0.219  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.797  -2.284   0.022  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.171  -0.881   0.255  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.532  -0.840  -0.001  1.00  0.00           C  
HETATM   29  N   UNL     1      -8.311   4.911  -0.306  1.00  0.00           N  
HETATM   30  N   UNL     1       2.599   0.160   0.104  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.539  -1.654   0.593  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.209  -0.004   0.627  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.895  -2.911  -0.324  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.898  -2.108  -0.348  1.00  0.00           N  
HETATM   35  O   UNL     1       9.594   0.820  -0.817  1.00  0.00           O  
HETATM   36  O   UNL     1       9.631  -0.112   1.197  1.00  0.00           O  
HETATM   37  O   UNL     1       0.050  -2.749  -1.480  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.991  -3.782   0.052  1.00  0.00           O  
HETATM   39 CL   UNL     1       4.490   2.122  -1.642  1.00  0.00          Cl  
HETATM   40  H   UNL     1      -7.409  -0.058  -1.779  1.00  0.00           H  
HETATM   41  H   UNL     1       5.038   0.022   2.690  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.531  -0.145  -1.166  1.00  0.00           H  
HETATM   43  H   UNL     1       1.018  -0.344  -2.022  1.00  0.00           H  
HETATM   44  H   UNL     1       1.129   1.558  -0.440  1.00  0.00           H  
HETATM   45  H   UNL     1       0.682   0.475   0.900  1.00  0.00           H  
HETATM   46  H   UNL     1       2.180  -3.206   0.094  1.00  0.00           H  
HETATM   47  H   UNL     1       2.624  -2.158  -1.275  1.00  0.00           H  
HETATM   48  H   UNL     1      11.526   1.134  -0.095  1.00  0.00           H  
HETATM   49  H   UNL     1      11.240  -0.463  -0.829  1.00  0.00           H  
HETATM   50  H   UNL     1      11.392   0.978  -1.863  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.907   3.552  -0.170  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.160   3.996   1.383  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.611   1.009   1.967  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.083   2.974   2.101  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.871   1.914  -1.625  1.00  0.00           H  
HETATM   56  H   UNL     1       7.464  -0.290   2.432  1.00  0.00           H  
HETATM   57  H   UNL     1       7.266   1.528  -1.448  1.00  0.00           H  
HETATM   58  H   UNL     1       3.037   0.982   1.987  1.00  0.00           H  
HETATM   59  H   UNL     1       3.034   2.144   0.639  1.00  0.00           H  
HETATM   60  H   UNL     1       2.210  -1.250   1.610  1.00  0.00           H  
HETATM   61  H   UNL     1       3.780  -1.435   0.792  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.025  -2.978   1.186  1.00  0.00           H  
HETATM   63  H   UNL     1       0.303  -1.260   1.517  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.253   0.367   1.079  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.795  -2.813   0.205  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.783  -1.661  -1.152  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.233  -3.336  -1.401  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.895   5.733  -0.260  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.406   5.088   0.103  1.00  0.00           H  
HETATM   70  H   UNL     1       0.083  -3.678  -1.212  1.00  0.00           H  
CONECT    1    9    9   15   40                                       
CONECT    2   17   19   19   41                                       
CONECT    3   16   17   17   18                                       
CONECT    4   18   18   19   39                                       
CONECT    5    6    8   42   43                                       
CONECT    6   30    5   44   45                                       
CONECT    7   21    8   46   47                                       
CONECT    8    5    7   37   22                                       
CONECT    9   28    1    1   12                                       
CONECT   10   35   48   49   50                                       
CONECT   11   14   29   51   52                                       
CONECT   12    9   13   13   53                                       
CONECT   13   12   12   14   54                                       
CONECT   14   15   15   13   11                                       
CONECT   15    1   14   14   55                                       
CONECT   16   35   36   36    3                                       
CONECT   17    3    3    2   56                                       
CONECT   18    3    4    4   57                                       
CONECT   19    2    2    4   20                                       
CONECT   20   19   30   58   59                                       
CONECT   21   30    7   60   61                                       
CONECT   22    8   31   62   63                                       
CONECT   23   31   32   32   64                                       
CONECT   24   34   65   66   67                                       
CONECT   25   38   38   26   31                                       
CONECT   26   33   33   25   27                                       
CONECT   27   26   28   28   32                                       
CONECT   28   34   27   27    9                                       
CONECT   29   11   68   69                                            
CONECT   30   20    6   21                                            
CONECT   31   25   22   23                                            
CONECT   32   27   23   23                                            
CONECT   33   34   26   26                                            
CONECT   34   24   33   28                                            
CONECT   35   10   16                                                 
CONECT   36   16   16                                                 
CONECT   37    8   70                                                 
CONECT   38   25   25                                                 
CONECT   39    4                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
