COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.742  -0.432   0.429  1.00  0.00           C  
HETATM    2  C   UNL     1       0.161  -2.645   0.113  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.168  -2.325   0.386  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.482  -1.000   0.687  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.027   2.694  -0.387  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.851   1.867  -0.180  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.753   2.175  -0.895  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.776   3.110  -1.671  1.00  0.00           O  
HETATM    9  N   UNL     1      -6.628   1.447  -0.750  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.424   1.774  -1.525  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.258   1.998  -0.554  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.586   0.319   0.190  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.426   0.535   1.169  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.149   0.797   0.383  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.885   0.815   1.254  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.569  -0.459  -0.282  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.790  -0.634   0.965  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.512  -0.091   0.694  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.239  -3.385   0.362  1.00  0.00           C  
HETATM   20  C   UNL     1       0.546  -4.039  -0.213  1.00  0.00           C  
HETATM   21  C   UNL     1       0.342  -5.168   0.532  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.334  -5.256   1.876  1.00  0.00           C  
HETATM   23  O   UNL     1       0.861  -6.181  -0.174  1.00  0.00           O  
HETATM   24  N   UNL     1       1.337  -5.804  -1.219  1.00  0.00           N  
HETATM   25  C   UNL     1       1.210  -4.520  -1.377  1.00  0.00           C  
HETATM   26  C   UNL     1       1.681  -3.702  -2.552  1.00  0.00           C  
HETATM   27  N   UNL     1       1.079  -1.680   0.144  1.00  0.00           N  
HETATM   28  C   UNL     1       1.793   0.614   0.447  1.00  0.00           C  
HETATM   29  C   UNL     1       3.116   0.280   0.167  1.00  0.00           C  
HETATM   30  C   UNL     1       1.459   1.937   0.740  1.00  0.00           C  
HETATM   31 CL   UNL     1      -0.189   2.361   1.083  1.00  0.00          Cl  
HETATM   32  C   UNL     1       2.441   2.909   0.756  1.00  0.00           C  
HETATM   33  C   UNL     1       3.754   2.574   0.483  1.00  0.00           C  
HETATM   34  C   UNL     1       4.093   1.261   0.186  1.00  0.00           C  
HETATM   35  O   UNL     1       5.385   0.938  -0.087  1.00  0.00           O  
HETATM   36  C   UNL     1       6.340   2.000  -0.051  1.00  0.00           C  
HETATM   37  C   UNL     1       7.729   1.449  -0.382  1.00  0.00           C  
HETATM   38  O   UNL     1       8.136   0.538   0.641  1.00  0.00           O  
HETATM   39  C   UNL     1       8.730   2.603  -0.465  1.00  0.00           C  
HETATM   40  N   UNL     1      10.035   2.089  -0.899  1.00  0.00           N  
HETATM   41  C   UNL     1      11.024   3.171  -0.991  1.00  0.00           C  
HETATM   42  H   UNL     1     -10.838   2.339   0.249  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.793   3.728  -0.133  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.332   2.636  -1.432  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.187   0.950  -2.197  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.597   2.680  -2.105  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.331   2.106  -1.116  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.438   2.901   0.030  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.525   0.267   0.741  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.434  -0.609  -0.361  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.644   1.391   1.808  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.298  -0.356   1.783  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.069   1.402   0.833  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.077   1.044   2.302  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.304  -1.244  -0.455  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.956  -0.248  -1.159  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.403  -3.759   1.372  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.165  -2.957  -0.022  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.923  -4.206  -0.283  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.402  -5.419   1.736  1.00  0.00           H  
HETATM   61  H   UNL     1       0.090  -6.086   2.442  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.177  -4.326   2.423  1.00  0.00           H  
HETATM   63  H   UNL     1       0.862  -3.576  -3.258  1.00  0.00           H  
HETATM   64  H   UNL     1       2.015  -2.725  -2.203  1.00  0.00           H  
HETATM   65  H   UNL     1       2.509  -4.215  -3.043  1.00  0.00           H  
HETATM   66  H   UNL     1       3.379  -0.742  -0.064  1.00  0.00           H  
HETATM   67  H   UNL     1       2.182   3.932   0.982  1.00  0.00           H  
HETATM   68  H   UNL     1       4.518   3.338   0.497  1.00  0.00           H  
HETATM   69  H   UNL     1       6.068   2.760  -0.783  1.00  0.00           H  
HETATM   70  H   UNL     1       6.353   2.443   0.945  1.00  0.00           H  
HETATM   71  H   UNL     1       7.694   0.928  -1.339  1.00  0.00           H  
HETATM   72  H   UNL     1       8.189   0.934   1.522  1.00  0.00           H  
HETATM   73  H   UNL     1       8.373   3.342  -1.182  1.00  0.00           H  
HETATM   74  H   UNL     1       8.830   3.068   0.516  1.00  0.00           H  
HETATM   75  H   UNL     1       9.956   1.596  -1.777  1.00  0.00           H  
HETATM   76  H   UNL     1      11.981   2.763  -1.314  1.00  0.00           H  
HETATM   77  H   UNL     1      10.683   3.914  -1.712  1.00  0.00           H  
HETATM   78  H   UNL     1      11.140   3.640  -0.014  1.00  0.00           H  
CONECT    1   27   27   18   28                                       
CONECT    2   20    3    3   27                                       
CONECT    3   19    2    2    4                                       
CONECT    4    3   17   18   18                                       
CONECT    5    6   42   43   44                                       
CONECT    6    5    7                                                 
CONECT    7    6    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   12    7   10                                            
CONECT   10    9   11   45   46                                       
CONECT   11   14   10   47   48                                       
CONECT   12   13    9   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   13   15   16   11                                       
CONECT   15   17   14   53   54                                       
CONECT   16   17   14   55   56                                       
CONECT   17    4   15   16                                            
CONECT   18    4    4    1                                            
CONECT   19    3   57   58   59                                       
CONECT   20   25    2   21   21                                       
CONECT   21   23   20   20   22                                       
CONECT   22   21   60   61   62                                       
CONECT   23   24   21                                                 
CONECT   24   25   25   23                                            
CONECT   25   26   24   24   20                                       
CONECT   26   25   63   64   65                                       
CONECT   27    2    1    1                                            
CONECT   28   29    1   30   30                                       
CONECT   29   34   34   28   66                                       
CONECT   30   28   28   32   31                                       
CONECT   31   30                                                      
CONECT   32   33   33   30   67                                       
CONECT   33   34   32   32   68                                       
CONECT   34   35   29   29   33                                       
CONECT   35   36   34                                                 
CONECT   36   37   35   69   70                                       
CONECT   37   39   38   36   71                                       
CONECT   38   37   72                                                 
CONECT   39   40   37   73   74                                       
CONECT   40   41   39   75                                            
CONECT   41   40   76   77   78                                       
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
