COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.552   0.590   0.117  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.035   0.265   0.966  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.598  -1.024   0.425  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.042   1.717   0.344  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.773  -1.536   0.943  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.289  -2.718   0.448  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.630  -3.391  -0.566  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.454  -2.878  -1.083  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.941  -1.692  -0.591  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.537   2.580   1.313  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.884   2.886   1.340  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.739   2.335   0.405  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.249   1.475  -0.563  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.903   1.165  -0.596  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.606   3.181   2.334  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.492  -0.804   2.047  1.00  0.00           C  
HETATM   17  C   UNL     1       4.615  -0.673   0.750  1.00  0.00           C  
HETATM   18  N   UNL     1       1.903   1.587  -0.437  1.00  0.00           N  
HETATM   19  N   UNL     1       1.658  -0.190   0.797  1.00  0.00           N  
HETATM   20  C   UNL     1       1.967  -1.404   1.557  1.00  0.00           C  
HETATM   21  C   UNL     1       0.724  -1.852   2.329  1.00  0.00           C  
HETATM   22  C   UNL     1       2.396  -2.513   0.594  1.00  0.00           C  
HETATM   23  C   UNL     1       4.006   0.348   0.017  1.00  0.00           C  
HETATM   24  C   UNL     1       0.433   0.368   0.638  1.00  0.00           C  
HETATM   25  C   UNL     1       0.589   1.482  -0.136  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.725   2.114  -0.328  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.678   1.411   0.310  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.923   3.126  -0.972  1.00  0.00           O  
HETATM   29 CL   UNL     1      -6.327   0.785  -1.736  1.00  0.00          Cl  
HETATM   30 CL   UNL     1      -3.277  -4.876  -1.188  1.00  0.00          Cl  
HETATM   31  N   UNL     1       5.920  -0.855   0.637  1.00  0.00           N  
HETATM   32  C   UNL     1       6.650  -0.088  -0.156  1.00  0.00           C  
HETATM   33  N   UNL     1       6.117   0.892  -0.870  1.00  0.00           N  
HETATM   34  C   UNL     1       4.815   1.139  -0.819  1.00  0.00           C  
HETATM   35  O   UNL     1       4.276   2.142  -1.551  1.00  0.00           O  
HETATM   36  C   UNL     1       5.167   2.896  -2.374  1.00  0.00           C  
HETATM   37  O   UNL     1       7.983  -0.311  -0.241  1.00  0.00           O  
HETATM   38  C   UNL     1       8.513  -1.379   0.548  1.00  0.00           C  
HETATM   39  H   UNL     1      -1.184   0.317   2.044  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.208  -3.118   0.853  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.938  -3.402  -1.875  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.025  -1.290  -0.998  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.269   3.556   2.094  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.792   2.575   0.429  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.521   0.494  -1.351  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.281   4.165   1.995  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.127   3.280   3.287  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.738   2.534   2.459  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.151  -0.051   1.615  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.082  -1.512   2.628  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.763  -0.319   2.696  1.00  0.00           H  
HETATM   52  H   UNL     1       4.029  -1.302   1.404  1.00  0.00           H  
HETATM   53  H   UNL     1       2.776  -1.198   2.258  1.00  0.00           H  
HETATM   54  H   UNL     1       0.982  -2.690   2.978  1.00  0.00           H  
HETATM   55  H   UNL     1       0.354  -1.025   2.934  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.049  -2.162   1.626  1.00  0.00           H  
HETATM   57  H   UNL     1       3.313  -2.217   0.085  1.00  0.00           H  
HETATM   58  H   UNL     1       2.571  -3.432   1.153  1.00  0.00           H  
HETATM   59  H   UNL     1       1.610  -2.679  -0.142  1.00  0.00           H  
HETATM   60  H   UNL     1       5.928   3.366  -1.750  1.00  0.00           H  
HETATM   61  H   UNL     1       5.646   2.233  -3.094  1.00  0.00           H  
HETATM   62  H   UNL     1       4.608   3.666  -2.905  1.00  0.00           H  
HETATM   63  H   UNL     1       8.314  -1.185   1.602  1.00  0.00           H  
HETATM   64  H   UNL     1       8.040  -2.316   0.255  1.00  0.00           H  
HETATM   65  H   UNL     1       9.589  -1.449   0.387  1.00  0.00           H  
CONECT    1   19   23   18   18                                       
CONECT    2    3   24   27   39                                       
CONECT    3    5    2    9    9                                       
CONECT    4   27   10   10   14                                       
CONECT    5   16    6    6    3                                       
CONECT    6    5    5    7   40                                       
CONECT    7    6   30    8    8                                       
CONECT    8    7    7    9   41                                       
CONECT    9    3    3    8   42                                       
CONECT   10   15    4    4   11                                       
CONECT   11   10   12   12   43                                       
CONECT   12   11   11   13   44                                       
CONECT   13   14   14   12   29                                       
CONECT   14    4   13   13   45                                       
CONECT   15   10   46   47   48                                       
CONECT   16    5   49   50   51                                       
CONECT   17   31   23   23   52                                       
CONECT   18    1    1   25                                            
CONECT   19   20    1   24                                            
CONECT   20   21   22   19   53                                       
CONECT   21   20   54   55   56                                       
CONECT   22   20   57   58   59                                       
CONECT   23   17   17   34    1                                       
CONECT   24   19    2   25   25                                       
CONECT   25   24   24   18   26                                       
CONECT   26   25   27   28   28                                       
CONECT   27    2    4   26                                            
CONECT   28   26   26                                                 
CONECT   29   13                                                      
CONECT   30    7                                                      
CONECT   31   32   32   17                                            
CONECT   32   37   31   31   33                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   23   35                                       
CONECT   35   36   34                                                 
CONECT   36   35   60   61   62                                       
CONECT   37   38   32                                                 
CONECT   38   37   63   64   65                                       
CONECT   39    2                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
