COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.201  -3.430   1.525  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.272  -3.199   0.162  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.343  -2.683  -2.307  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.091   2.076   2.294  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.963   1.524   1.199  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.431   0.794   0.157  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.264   0.301  -0.836  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.627   0.536  -0.788  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.163   1.273   0.264  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.328   1.762   1.253  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.979   2.272   1.430  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.827  -0.753  -2.777  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.871  -1.697  -3.378  1.00  0.00           C  
HETATM   14  C   UNL     1       1.176   1.636   0.494  1.00  0.00           C  
HETATM   15  C   UNL     1       1.524   2.492  -0.543  1.00  0.00           C  
HETATM   16  C   UNL     1       2.852   2.670  -0.876  1.00  0.00           C  
HETATM   17  C   UNL     1       3.840   1.992  -0.173  1.00  0.00           C  
HETATM   18  C   UNL     1       3.492   1.137   0.864  1.00  0.00           C  
HETATM   19  C   UNL     1       2.164   0.959   1.196  1.00  0.00           C  
HETATM   20 CL   UNL     1       0.107  -5.032   2.118  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -0.517  -1.923  -0.310  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.691  -0.879   0.579  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.620  -1.109   1.940  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.370  -2.384   2.413  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.957   0.512   0.064  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.172   1.460   0.835  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.664   2.172   1.851  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.501   1.509   0.320  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.438   0.051  -1.765  1.00  0.00           O  
HETATM   30  O   UNL     1       0.077   2.931   2.441  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.264   0.151  -3.875  1.00  0.00           C  
HETATM   32  N   UNL     1       5.186   2.172  -0.510  1.00  0.00           N  
HETATM   33  C   UNL     1       5.553   3.075  -1.604  1.00  0.00           C  
HETATM   34  C   UNL     1       6.228   1.458   0.231  1.00  0.00           C  
HETATM   35  N   UNL     1       6.992  -2.269  -1.640  1.00  0.00           N  
HETATM   36  C   UNL     1       5.794  -1.002  -0.068  1.00  0.00           C  
HETATM   37  C   UNL     1       6.070  -2.200  -0.700  1.00  0.00           C  
HETATM   38  C   UNL     1       7.683  -1.210  -2.014  1.00  0.00           C  
HETATM   39  C   UNL     1       7.462   0.021  -1.426  1.00  0.00           C  
HETATM   40  C   UNL     1       6.500   0.133  -0.433  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.136  -4.015  -0.532  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.494  -3.263  -1.947  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.786  -2.133  -1.477  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.087  -3.355  -2.736  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.448   3.068   2.569  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.152   1.421   3.163  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.847  -0.270  -1.653  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.741   2.333   2.070  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.060   2.387   1.353  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.733   1.757   2.358  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.508   3.255   1.424  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.019  -1.337  -2.337  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.428  -2.247  -4.208  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.721  -1.117  -3.738  1.00  0.00           H  
HETATM   55  H   UNL     1       0.755   3.018  -1.090  1.00  0.00           H  
HETATM   56  H   UNL     1       3.122   3.335  -1.682  1.00  0.00           H  
HETATM   57  H   UNL     1       4.261   0.610   1.411  1.00  0.00           H  
HETATM   58  H   UNL     1       1.893   0.294   2.003  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.573  -1.742  -1.373  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.752  -0.292   2.634  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.314  -2.564   3.477  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.651   0.567  -0.981  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.073   0.735  -4.315  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.521   0.823  -3.447  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.798  -0.462  -4.647  1.00  0.00           H  
HETATM   66  H   UNL     1       5.706   4.079  -1.211  1.00  0.00           H  
HETATM   67  H   UNL     1       6.473   2.723  -2.072  1.00  0.00           H  
HETATM   68  H   UNL     1       4.753   3.092  -2.344  1.00  0.00           H  
HETATM   69  H   UNL     1       7.141   2.054   0.240  1.00  0.00           H  
HETATM   70  H   UNL     1       5.895   1.289   1.255  1.00  0.00           H  
HETATM   71  H   UNL     1       5.037  -0.952   0.701  1.00  0.00           H  
HETATM   72  H   UNL     1       5.524  -3.089  -0.421  1.00  0.00           H  
HETATM   73  H   UNL     1       8.430  -1.306  -2.787  1.00  0.00           H  
HETATM   74  H   UNL     1       8.031   0.885  -1.736  1.00  0.00           H  
CONECT    1   24   20    2    2                                       
CONECT    2    1    1   21   41                                       
CONECT    3   13   42   43   44                                       
CONECT    4   27    5   45   46                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5   25    7    7                                       
CONECT    7    6    6    8   47                                       
CONECT    8    9    9    7   29                                       
CONECT    9   10   28    8    8                                       
CONECT   10    5    5    9   48                                       
CONECT   11   28   49   50   51                                       
CONECT   12   29   13   31   52                                       
CONECT   13   12    3   53   54                                       
CONECT   14   19   26   15   15                                       
CONECT   15   14   14   16   55                                       
CONECT   16   17   17   15   56                                       
CONECT   17   18   32   16   16                                       
CONECT   18   19   19   17   57                                       
CONECT   19   18   18   14   58                                       
CONECT   20    1                                                      
CONECT   21   22   22    2   59                                       
CONECT   22   23   25   21   21                                       
CONECT   23   24   24   22   60                                       
CONECT   24   23   23    1   61                                       
CONECT   25   26    6   22   62                                       
CONECT   26   27   14   25                                            
CONECT   27   30   30    4   26                                       
CONECT   28   11    9                                                 
CONECT   29    8   12                                                 
CONECT   30   27   27                                                 
CONECT   31   12   63   64   65                                       
CONECT   32   33   17   34                                            
CONECT   33   32   66   67   68                                       
CONECT   34   40   32   69   70                                       
CONECT   35   38   38   37                                            
CONECT   36   37   37   40   71                                       
CONECT   37   35   36   36   72                                       
CONECT   38   35   35   39   73                                       
CONECT   39   38   40   40   74                                       
CONECT   40   39   39   36   34                                       
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
