COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.948   1.593  -2.185  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.190   2.859   0.292  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.661  -0.465  -0.324  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.669   0.486  -0.180  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.441   4.220   1.802  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.568  -3.811   2.149  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.345  -3.020   3.144  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.777  -0.367  -1.404  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.943   0.665  -2.335  1.00  0.00           C  
HETATM   10  C   UNL     1       5.674   1.184   2.048  1.00  0.00           C  
HETATM   11  C   UNL     1       4.925   1.024   0.897  1.00  0.00           C  
HETATM   12 CL   UNL     1       5.782   4.338  -1.162  1.00  0.00          Cl  
HETATM   13  C   UNL     1       1.375  -3.106  -0.857  1.00  0.00           C  
HETATM   14  C   UNL     1       1.038  -4.014   0.324  1.00  0.00           C  
HETATM   15  C   UNL     1       0.287  -3.215   1.357  1.00  0.00           C  
HETATM   16  N   UNL     1       2.270  -2.039  -0.404  1.00  0.00           N  
HETATM   17  C   UNL     1       0.120  -2.497  -1.424  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.239  -2.580  -2.726  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.372  -1.837  -2.885  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.697  -1.348  -1.656  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.794  -1.831  -0.777  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.814   1.508  -1.102  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.832   2.456  -0.943  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.691   2.338   1.270  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.103   3.838   0.443  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.633  -1.503   0.606  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.710  -2.656   2.559  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.532  -1.758   1.356  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.451  -1.286   1.073  1.00  0.00           O  
HETATM   30  C   UNL     1       4.524  -0.968  -0.530  1.00  0.00           C  
HETATM   31  C   UNL     1       3.518  -2.029  -0.873  1.00  0.00           C  
HETATM   32  C   UNL     1       4.072  -0.205   0.717  1.00  0.00           C  
HETATM   33  C   UNL     1       2.607   0.207   0.525  1.00  0.00           C  
HETATM   34  C   UNL     1       1.739  -1.052   0.528  1.00  0.00           C  
HETATM   35  C   UNL     1       6.456   2.312   2.214  1.00  0.00           C  
HETATM   36  C   UNL     1       6.489   3.280   1.228  1.00  0.00           C  
HETATM   37  C   UNL     1       5.740   3.121   0.076  1.00  0.00           C  
HETATM   38  C   UNL     1       4.957   1.992  -0.089  1.00  0.00           C  
HETATM   39  O   UNL     1       3.859  -2.925  -1.616  1.00  0.00           O  
HETATM   40  H   UNL     1      -4.061   2.388  -2.907  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.351   0.419   0.655  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.185   5.016   1.781  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.846   3.358   2.332  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.545   4.573   2.314  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.717  -4.876   2.063  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.491  -3.612   4.048  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.805  -2.105   3.387  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.274   0.734  -3.180  1.00  0.00           H  
HETATM   49  H   UNL     1       5.644   0.430   2.820  1.00  0.00           H  
HETATM   50  H   UNL     1       1.873  -3.691  -1.631  1.00  0.00           H  
HETATM   51  H   UNL     1       0.418  -4.843  -0.018  1.00  0.00           H  
HETATM   52  H   UNL     1       1.959  -4.401   0.760  1.00  0.00           H  
HETATM   53  H   UNL     1       0.456  -2.152   1.444  1.00  0.00           H  
HETATM   54  H   UNL     1       0.223  -3.077  -3.419  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.907  -1.668  -3.808  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.278   2.824  -1.721  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.421  -2.057   0.719  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.222  -3.565   2.242  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.306  -2.151   3.318  1.00  0.00           H  
HETATM   60  H   UNL     1       5.491  -1.434  -0.339  1.00  0.00           H  
HETATM   61  H   UNL     1       4.616  -0.273  -1.365  1.00  0.00           H  
HETATM   62  H   UNL     1       4.165  -0.847   1.594  1.00  0.00           H  
HETATM   63  H   UNL     1       2.301   0.864   1.339  1.00  0.00           H  
HETATM   64  H   UNL     1       2.496   0.726  -0.427  1.00  0.00           H  
HETATM   65  H   UNL     1       0.723  -0.790   0.234  1.00  0.00           H  
HETATM   66  H   UNL     1       1.723  -1.476   1.532  1.00  0.00           H  
HETATM   67  H   UNL     1       7.041   2.436   3.113  1.00  0.00           H  
HETATM   68  H   UNL     1       7.100   4.162   1.358  1.00  0.00           H  
HETATM   69  H   UNL     1       4.372   1.867  -0.988  1.00  0.00           H  
CONECT    1    9   22   22   40                                       
CONECT    2   24   24   23   25                                       
CONECT    3    8   26    4    4                                       
CONECT    4    3    3   22   41                                       
CONECT    5   25   42   43   44                                       
CONECT    6   15   15    7   45                                       
CONECT    7    6   27   46   47                                       
CONECT    8   20    9    9    3                                       
CONECT    9    8    8    1   48                                       
CONECT   10   35   35   11   49                                       
CONECT   11   10   32   38   38                                       
CONECT   12   37                                                      
CONECT   13   14   16   17   50                                       
CONECT   14   15   13   51   52                                       
CONECT   15   14    6    6   53                                       
CONECT   16   34   13   31                                            
CONECT   17   18   13   21   21                                       
CONECT   18   19   17   54                                            
CONECT   19   18   20   20   55                                       
CONECT   20   19   19   21    8                                       
CONECT   21   17   17   20                                            
CONECT   22    1    1    4   23                                       
CONECT   23   22    2   56                                            
CONECT   24    2    2                                                 
CONECT   25    2    5                                                 
CONECT   26   28    3   57                                            
CONECT   27    7   28   58   59                                       
CONECT   28   29   29   27   26                                       
CONECT   29   28   28                                                 
CONECT   30   32   31   60   61                                       
CONECT   31   16   30   39   39                                       
CONECT   32   33   11   30   62                                       
CONECT   33   34   32   63   64                                       
CONECT   34   33   16   65   66                                       
CONECT   35   10   10   36   67                                       
CONECT   36   35   37   37   68                                       
CONECT   37   36   36   38   12                                       
CONECT   38   11   11   37   69                                       
CONECT   39   31   31                                                 
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   23                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
