COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.285  -2.520   0.153  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.544   0.050  -0.576  1.00  0.00           N  
HETATM    3  C   UNL     1       2.251  -4.501   0.189  1.00  0.00           C  
HETATM    4  C   UNL     1       1.182  -3.648   0.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.112  -4.084   0.319  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.258  -3.175   0.143  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.221  -1.858  -0.309  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.046  -1.054  -0.717  1.00  0.00           C  
HETATM    9  C   UNL     1       2.146   0.460  -1.478  1.00  0.00           C  
HETATM   10  C   UNL     1       0.085  -0.628  -2.039  1.00  0.00           C  
HETATM   11  C   UNL     1       3.862   2.608   0.004  1.00  0.00           C  
HETATM   12  C   UNL     1       5.574   1.682  -1.565  1.00  0.00           C  
HETATM   13  C   UNL     1       8.239   3.708   2.140  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.214  -0.152  -0.660  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.631   1.311  -0.765  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.477   1.104   0.906  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.757   2.583  -1.088  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.316  -5.391   0.786  1.00  0.00           C  
HETATM   19  C   UNL     1       0.766  -6.239   0.949  1.00  0.00           C  
HETATM   20  C   UNL     1       2.046  -5.797   0.651  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.570  -5.823   1.077  1.00  0.00           O  
HETATM   22  O   UNL     1       3.105  -6.633   0.813  1.00  0.00           O  
HETATM   23 CL   UNL     1       3.857  -3.960  -0.187  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -2.639  -1.464  -0.280  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.552  -3.449   0.384  1.00  0.00           O  
HETATM   26  C   UNL     1       0.930  -0.716   0.221  1.00  0.00           C  
HETATM   27  C   UNL     1       2.020   0.038  -0.161  1.00  0.00           C  
HETATM   28  C   UNL     1       1.180   0.121  -2.415  1.00  0.00           C  
HETATM   29  O   UNL     1       3.224   1.198  -1.852  1.00  0.00           O  
HETATM   30  C   UNL     1       4.239   1.409  -0.869  1.00  0.00           C  
HETATM   31  C   UNL     1       4.935   2.810   1.079  1.00  0.00           C  
HETATM   32  N   UNL     1       6.244   2.929   0.423  1.00  0.00           N  
HETATM   33  C   UNL     1       6.667   1.874  -0.508  1.00  0.00           C  
HETATM   34  S   UNL     1       7.226   4.228   0.728  1.00  0.00           S  
HETATM   35  O   UNL     1       6.330   5.262   1.111  1.00  0.00           O  
HETATM   36  O   UNL     1       8.024   4.346  -0.442  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.487   0.741  -1.047  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.113   1.346  -0.952  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.959   1.140   0.719  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.085   2.413   0.397  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.239   2.619  -1.275  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.510   3.569   1.174  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.901   4.823   0.898  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.698   3.367   2.046  1.00  0.00           O  
HETATM   45  H   UNL     1      -5.125  -0.663  -0.267  1.00  0.00           H  
HETATM   46  H   UNL     1       1.344  -2.642  -0.337  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.671  -0.884  -2.767  1.00  0.00           H  
HETATM   48  H   UNL     1       3.795   3.503  -0.616  1.00  0.00           H  
HETATM   49  H   UNL     1       2.900   2.424   0.481  1.00  0.00           H  
HETATM   50  H   UNL     1       5.831   0.838  -2.204  1.00  0.00           H  
HETATM   51  H   UNL     1       5.491   2.585  -2.170  1.00  0.00           H  
HETATM   52  H   UNL     1       8.811   2.820   1.870  1.00  0.00           H  
HETATM   53  H   UNL     1       8.923   4.511   2.412  1.00  0.00           H  
HETATM   54  H   UNL     1       7.592   3.479   2.987  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.047   0.474  -1.328  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.893   0.268   0.343  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.710   0.982   1.964  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.173   1.747  -1.650  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.190   3.516  -1.451  1.00  0.00           H  
HETATM   60  H   UNL     1       0.612  -7.246   1.308  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.029  -6.230   0.330  1.00  0.00           H  
HETATM   62  H   UNL     1       3.508  -6.593   1.691  1.00  0.00           H  
HETATM   63  H   UNL     1       0.832  -1.044   1.245  1.00  0.00           H  
HETATM   64  H   UNL     1       2.774   0.303   0.565  1.00  0.00           H  
HETATM   65  H   UNL     1       1.281   0.452  -3.438  1.00  0.00           H  
HETATM   66  H   UNL     1       4.330   0.520  -0.244  1.00  0.00           H  
HETATM   67  H   UNL     1       4.723   3.720   1.640  1.00  0.00           H  
HETATM   68  H   UNL     1       4.939   1.956   1.756  1.00  0.00           H  
HETATM   69  H   UNL     1       6.814   0.942   0.038  1.00  0.00           H  
HETATM   70  H   UNL     1       7.598   2.166  -0.993  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.688   2.126  -0.320  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.880   1.557  -1.996  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.526   0.207   1.082  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.543   1.976   1.282  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.166   2.387   0.530  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.824   3.455  -0.712  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.006   2.741  -2.332  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.504   5.532   1.423  1.00  0.00           H  
CONECT    1   24   24   25                                            
CONECT    2   38   14   45                                            
CONECT    3    4   23   20   20                                       
CONECT    4    5    5    3   46                                       
CONECT    5    6    4    4   18                                       
CONECT    6    7    7   25    5                                       
CONECT    7   24    8    6    6                                       
CONECT    8   26   26   10    7                                       
CONECT    9   29   27   27   28                                       
CONECT   10   28   28    8   47                                       
CONECT   11   30   31   48   49                                       
CONECT   12   33   30   50   51                                       
CONECT   13   34   52   53   54                                       
CONECT   14   37   37    2   24                                       
CONECT   15   38   41   39   55                                       
CONECT   16   40   39   56   57                                       
CONECT   17   40   41   58   59                                       
CONECT   18    5   21   19   19                                       
CONECT   19   18   18   20   60                                       
CONECT   20    3    3   19   22                                       
CONECT   21   18   61                                                 
CONECT   22   20   62                                                 
CONECT   23    3                                                      
CONECT   24   14    7    1    1                                       
CONECT   25    1    6                                                 
CONECT   26   27    8    8   63                                       
CONECT   27    9    9   26   64                                       
CONECT   28    9   10   10   65                                       
CONECT   29   30    9                                                 
CONECT   30   12   29   11   66                                       
CONECT   31   32   11   67   68                                       
CONECT   32   33   34   31                                            
CONECT   33   12   32   69   70                                       
CONECT   34   35   35   32   13                                       
CONECT   34   36   36                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   14   14                                                 
CONECT   38   15    2   71   72                                       
CONECT   39   16   15   73   74                                       
CONECT   40   42   16   17   75                                       
CONECT   41   15   17   76   77                                       
CONECT   42   44   44   43   40                                       
CONECT   43   42   78                                                 
CONECT   44   42   42                                                 
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
