COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.928   0.778  -0.200  1.00  0.00           N  
HETATM    2  C   UNL     1       3.591  -0.316   0.145  1.00  0.00           C  
HETATM    3  N   UNL     1       4.913  -0.366   0.122  1.00  0.00           N  
HETATM    4  C   UNL     1       5.625   0.696  -0.254  1.00  0.00           C  
HETATM    5  C   UNL     1       4.951   1.867  -0.625  1.00  0.00           C  
HETATM    6 CL   UNL     1       5.830   3.279  -1.123  1.00  0.00          Cl  
HETATM    7  C   UNL     1       3.570   1.872  -0.585  1.00  0.00           C  
HETATM    8  C   UNL     1       0.867  -1.728  -0.819  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.598  -1.818  -0.739  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.870  -0.402  -2.429  1.00  0.00           O  
HETATM   11  C   UNL     1     -10.980   2.311   2.773  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.376  -1.088  -1.562  1.00  0.00           C  
HETATM   13  C   UNL     1       7.103   0.640  -0.279  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.600  -1.179  -1.123  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.865  -2.355  -1.013  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.496  -2.329  -1.155  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.844  -1.119  -1.410  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.585   0.060  -1.520  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.954   0.027  -1.377  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.628  -0.182  -0.395  1.00  0.00           C  
HETATM   21  N   UNL     1     -11.551   2.182   1.426  1.00  0.00           N  
HETATM   22  C   UNL     1       0.905  -2.442   1.575  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.011   0.808  -0.062  1.00  0.00           O  
HETATM   24  C   UNL     1       7.983   0.155   0.797  1.00  0.00           C  
HETATM   25  C   UNL     1       9.295   0.294   0.315  1.00  0.00           C  
HETATM   26  C   UNL     1      10.361  -0.088   1.123  1.00  0.00           C  
HETATM   27  C   UNL     1      10.119  -0.596   2.381  1.00  0.00           C  
HETATM   28  C   UNL     1       8.820  -0.732   2.850  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.623  -2.385   1.634  1.00  0.00           C  
HETATM   30  N   UNL     1       2.881  -1.438   0.540  1.00  0.00           N  
HETATM   31  C   UNL     1       7.759  -0.362   2.072  1.00  0.00           C  
HETATM   32  C   UNL     1       7.912   1.020  -1.301  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.197  -2.720   0.254  1.00  0.00           C  
HETATM   34  C   UNL     1       1.417  -1.404   0.574  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.987  -1.210  -0.985  1.00  0.00           N  
HETATM   36  C   UNL     1      -9.113  -0.261  -0.149  1.00  0.00           C  
HETATM   37  N   UNL     1       9.214   0.823  -0.955  1.00  0.00           N  
HETATM   38  C   UNL     1      -9.588   1.027   0.527  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.095   0.946   0.777  1.00  0.00           C  
HETATM   40  C   UNL     1     -13.018   2.245   1.468  1.00  0.00           C  
HETATM   41  H   UNL     1       3.018   2.757  -0.864  1.00  0.00           H  
HETATM   42  H   UNL     1       1.273  -2.680  -1.160  1.00  0.00           H  
HETATM   43  H   UNL     1       1.147  -0.938  -1.515  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.892   2.332   2.706  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.333   3.234   3.231  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.290   1.462   3.382  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.369  -3.290  -0.816  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.926  -3.243  -1.069  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.085   0.997  -1.716  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.528   0.938  -1.462  1.00  0.00           H  
HETATM   51  H   UNL     1       1.315  -2.228   2.562  1.00  0.00           H  
HETATM   52  H   UNL     1       1.219  -3.437   1.259  1.00  0.00           H  
HETATM   53  H   UNL     1      11.375   0.013   0.766  1.00  0.00           H  
HETATM   54  H   UNL     1      10.948  -0.893   3.006  1.00  0.00           H  
HETATM   55  H   UNL     1       8.646  -1.133   3.838  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.986  -3.108   2.364  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.939  -1.383   1.926  1.00  0.00           H  
HETATM   58  H   UNL     1       3.354  -2.246   0.796  1.00  0.00           H  
HETATM   59  H   UNL     1       6.751  -0.469   2.443  1.00  0.00           H  
HETATM   60  H   UNL     1       7.574   1.421  -2.246  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.279  -2.585   0.265  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.959  -3.753   0.000  1.00  0.00           H  
HETATM   63  H   UNL     1       1.082  -0.411   0.875  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.490  -1.971  -1.313  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.633  -0.386  -1.099  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.329  -1.112   0.497  1.00  0.00           H  
HETATM   67  H   UNL     1       9.975   1.023  -1.523  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.068   1.151   1.477  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.372   1.877  -0.119  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.311   0.095   1.423  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.615   0.821  -0.173  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.328   3.170   1.954  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.412   2.218   0.452  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.402   1.393   2.030  1.00  0.00           H  
CONECT    1    2    2    7                                            
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   13                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5                                                      
CONECT    7    1    5    5   41                                       
CONECT    8    9   34   42   43                                       
CONECT    9    8   12   33                                            
CONECT   10   12   12                                                 
CONECT   11   21   44   45   46                                       
CONECT   12    9   10   10   17                                       
CONECT   13    4   24   32   32                                       
CONECT   14   15   15   19   35                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   17   48                                       
CONECT   17   12   16   16   18                                       
CONECT   18   17   19   19   49                                       
CONECT   19   14   18   18   50                                       
CONECT   20   23   23   35   36                                       
CONECT   21   11   39   40                                            
CONECT   22   29   34   51   52                                       
CONECT   23   20   20                                                 
CONECT   24   13   25   25   31                                       
CONECT   25   24   24   26   37                                       
CONECT   26   25   27   27   53                                       
CONECT   27   26   26   28   54                                       
CONECT   28   27   31   31   55                                       
CONECT   29   22   33   56   57                                       
CONECT   30    2   34   58                                            
CONECT   31   24   28   28   59                                       
CONECT   32   13   13   37   60                                       
CONECT   33    9   29   61   62                                       
CONECT   34    8   22   30   63                                       
CONECT   35   14   20   64                                            
CONECT   36   20   38   65   66                                       
CONECT   37   25   32   67                                            
CONECT   38   36   39   68   69                                       
CONECT   39   21   38   70   71                                       
CONECT   40   21   72   73   74                                       
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
