COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.677   5.915  -1.997  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.478   5.069  -0.859  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.911   5.478   0.404  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.716   4.658   1.496  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.093   3.433   1.342  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.660   3.021   0.094  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.855   3.828  -1.008  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.982   1.685  -0.064  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.513  -0.590  -0.506  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.411  -1.612  -0.779  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.955  -2.905  -0.957  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.604  -3.182  -0.865  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.702  -2.162  -0.592  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.157  -0.865  -0.413  1.00  0.00           C  
HETATM   15  C   UNL     1       1.497  -1.337  -0.218  1.00  0.00           C  
HETATM   16  C   UNL     1       2.920  -1.827  -0.154  1.00  0.00           C  
HETATM   17  C   UNL     1       3.943  -0.940   0.114  1.00  0.00           C  
HETATM   18  C   UNL     1       5.259  -1.395   0.172  1.00  0.00           C  
HETATM   19  C   UNL     1       5.534  -2.744  -0.041  1.00  0.00           C  
HETATM   20  C   UNL     1       4.503  -3.623  -0.308  1.00  0.00           C  
HETATM   21  C   UNL     1       3.199  -3.167  -0.360  1.00  0.00           C  
HETATM   22  C   UNL     1       6.363  -0.446   0.459  1.00  0.00           C  
HETATM   23  C   UNL     1       6.336   0.325   1.620  1.00  0.00           C  
HETATM   24  C   UNL     1       7.363   1.207   1.885  1.00  0.00           C  
HETATM   25  C   UNL     1       8.424   1.332   0.998  1.00  0.00           C  
HETATM   26  C   UNL     1       8.456   0.562  -0.160  1.00  0.00           C  
HETATM   27  C   UNL     1       7.430  -0.328  -0.428  1.00  0.00           C  
HETATM   28  C   UNL     1      10.650   2.044   0.558  1.00  0.00           C  
HETATM   29  C   UNL     1      10.316   1.832  -0.924  1.00  0.00           C  
HETATM   30  C   UNL     1       3.637   0.518   0.342  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.884  -1.313  -0.880  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.573  -2.473   1.136  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.053  -2.641   1.537  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.572  -1.180   1.583  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.783  -0.531   0.418  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.667   0.956   0.627  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.835   6.587  -2.899  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.448  -1.164   0.468  1.00  0.00           N  
HETATM   39  O   UNL     1      -2.962   0.682  -0.336  1.00  0.00           O  
HETATM   40  O   UNL     1       0.627  -2.435  -0.501  1.00  0.00           O  
HETATM   41  O   UNL     1       9.422   2.214   1.275  1.00  0.00           O  
HETATM   42  O   UNL     1       9.493   0.666  -1.036  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.760  -3.401   0.554  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.773   1.715   0.682  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.578   1.467   0.746  1.00  0.00           O  
HETATM   46 CL   UNL     1      -1.034  -4.806  -1.089  1.00  0.00          Cl  
HETATM   47  H   UNL     1      -4.397   6.435   0.525  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.051   4.973   2.473  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.942   2.795   2.201  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.521   3.503  -1.982  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.272   1.733  -0.890  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.452   1.436   0.856  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.655  -3.699  -1.169  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.458  -0.070  -0.201  1.00  0.00           H  
HETATM   55  H   UNL     1       1.222  -0.893   0.740  1.00  0.00           H  
HETATM   56  H   UNL     1       1.405  -0.588  -1.004  1.00  0.00           H  
HETATM   57  H   UNL     1       6.552  -3.102   0.003  1.00  0.00           H  
HETATM   58  H   UNL     1       4.716  -4.669  -0.473  1.00  0.00           H  
HETATM   59  H   UNL     1       2.395  -3.858  -0.565  1.00  0.00           H  
HETATM   60  H   UNL     1       5.512   0.231   2.312  1.00  0.00           H  
HETATM   61  H   UNL     1       7.340   1.804   2.784  1.00  0.00           H  
HETATM   62  H   UNL     1       7.456  -0.928  -1.325  1.00  0.00           H  
HETATM   63  H   UNL     1      11.182   1.173   0.943  1.00  0.00           H  
HETATM   64  H   UNL     1      11.270   2.933   0.672  1.00  0.00           H  
HETATM   65  H   UNL     1       9.779   2.700  -1.308  1.00  0.00           H  
HETATM   66  H   UNL     1      11.236   1.689  -1.492  1.00  0.00           H  
HETATM   67  H   UNL     1       3.541   0.705   1.411  1.00  0.00           H  
HETATM   68  H   UNL     1       4.446   1.126  -0.062  1.00  0.00           H  
HETATM   69  H   UNL     1       2.704   0.776  -0.158  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.030  -0.388  -1.439  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.387  -2.132  -1.395  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.943  -2.497   2.025  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.278  -3.268   0.451  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.136  -3.111   2.517  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.645  -1.140   1.397  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.324  -0.707   2.533  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.268  -0.745  -0.534  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.423  -4.300   0.435  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.648   2.664   0.818  1.00  0.00           H  
CONECT    1   37   37   37    2                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   47                                       
CONECT    4    3    5    5   48                                       
CONECT    5    4    4    6   49                                       
CONECT    6    7    7    5    8                                       
CONECT    7    2    6    6   50                                       
CONECT    8    6   39   51   52                                       
CONECT    9   39   10   10   14                                       
CONECT   10   31    9    9   11                                       
CONECT   11   10   12   12   53                                       
CONECT   12   11   11   13   46                                       
CONECT   13   14   14   12   40                                       
CONECT   14    9   13   13   54                                       
CONECT   15   40   16   55   56                                       
CONECT   16   15   17   17   21                                       
CONECT   17   30   16   16   18                                       
CONECT   18   17   22   19   19                                       
CONECT   19   18   18   20   57                                       
CONECT   20   21   21   19   58                                       
CONECT   21   16   20   20   59                                       
CONECT   22   23   18   27   27                                       
CONECT   23   24   24   22   60                                       
CONECT   24   23   23   25   61                                       
CONECT   25   24   41   26   26                                       
CONECT   26   25   25   27   42                                       
CONECT   27   22   22   26   62                                       
CONECT   28   41   29   63   64                                       
CONECT   29   28   42   65   66                                       
CONECT   30   17   67   68   69                                       
CONECT   31   38   10   70   71                                       
CONECT   32   33   38   72   73                                       
CONECT   33   43   34   32   74                                       
CONECT   34   33   35   75   76                                       
CONECT   35   34   36   38   77                                       
CONECT   36   45   45   44   35                                       
CONECT   37    1    1    1                                            
CONECT   38   35   32   31                                            
CONECT   39    8    9                                                 
CONECT   40   13   15                                                 
CONECT   41   25   28                                                 
CONECT   42   26   29                                                 
CONECT   43   33   78                                                 
CONECT   44   36   79                                                 
CONECT   45   36   36                                                 
CONECT   46   12                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
