COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.595   0.821  -0.121  1.00  0.00           C  
HETATM    2  C   UNL     1       2.585   0.864   0.671  1.00  0.00           C  
HETATM    3  C   UNL     1       4.155  -0.683  -0.274  1.00  0.00           C  
HETATM    4  C   UNL     1       6.513  -0.444  -0.067  1.00  0.00           C  
HETATM    5  C   UNL     1      10.160  -0.097  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1      11.214   0.581   0.754  1.00  0.00           C  
HETATM    7  C   UNL     1       3.149  -1.634  -0.382  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.858   0.300   1.165  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.378  -0.659  -0.059  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.110   0.406  -0.910  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.851   0.983  -0.853  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.932   0.458   0.055  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.982   0.998  -1.155  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.660   1.765  -1.047  1.00  0.00           C  
HETATM   15  C   UNL     1       0.189   0.237   1.027  1.00  0.00           C  
HETATM   16  C   UNL     1       1.587  -0.087   0.567  1.00  0.00           C  
HETATM   17  C   UNL     1       3.868   0.571   0.250  1.00  0.00           C  
HETATM   18  C   UNL     1       7.905  -0.671  -0.598  1.00  0.00           C  
HETATM   19  C   UNL     1       1.869  -1.334   0.041  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.531   1.039   1.368  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.656   1.003   0.150  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.877   1.193   0.060  1.00  0.00           N  
HETATM   23  N   UNL     1       5.453  -0.983  -0.701  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.280  -0.561   0.826  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.448  -1.092   0.769  1.00  0.00           N  
HETATM   26  O   UNL     1       8.865   0.008   0.254  1.00  0.00           O  
HETATM   27  O   UNL     1      10.481  -0.734  -1.059  1.00  0.00           O  
HETATM   28  O   UNL     1       6.347   0.225   0.932  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.069   0.960  -1.205  1.00  0.00           O  
HETATM   30 CL   UNL     1      -9.940  -1.416  -0.082  1.00  0.00          Cl  
HETATM   31  H   UNL     1       2.361   1.839   1.078  1.00  0.00           H  
HETATM   32  H   UNL     1      11.385   1.589   0.376  1.00  0.00           H  
HETATM   33  H   UNL     1      10.877   0.633   1.789  1.00  0.00           H  
HETATM   34  H   UNL     1      12.142   0.012   0.701  1.00  0.00           H  
HETATM   35  H   UNL     1       3.369  -2.609  -0.789  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.660  -0.718   0.830  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.408   0.274   2.106  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.860   0.773  -1.595  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.590   1.814  -1.493  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.621   1.477  -1.896  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.782  -0.030  -1.457  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.103   1.667  -1.978  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.862   2.817  -0.846  1.00  0.00           H  
HETATM   44  H   UNL     1       0.233   0.960   1.842  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.299  -0.674   1.374  1.00  0.00           H  
HETATM   46  H   UNL     1       4.646   1.316   0.328  1.00  0.00           H  
HETATM   47  H   UNL     1       8.120  -1.740  -0.608  1.00  0.00           H  
HETATM   48  H   UNL     1       7.976  -0.277  -1.611  1.00  0.00           H  
HETATM   49  H   UNL     1       1.087  -2.075  -0.039  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.721   2.021   1.800  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.889   0.461   2.033  1.00  0.00           H  
HETATM   52  H   UNL     1       5.590  -1.580  -1.453  1.00  0.00           H  
CONECT    1   22   15   29   29                                       
CONECT    2   16   17   17   31                                       
CONECT    3    7    7   17   23                                       
CONECT    4   23   28   28   18                                       
CONECT    5   26    6   27   27                                       
CONECT    6    5   32   33   34                                       
CONECT    7   19    3    3   35                                       
CONECT    8   21   20   36   37                                       
CONECT    9   30   10   10   25                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   24   21                                       
CONECT   13   21   14   40   41                                       
CONECT   14   13   22   42   43                                       
CONECT   15    1   16   44   45                                       
CONECT   16   15   19   19    2                                       
CONECT   17    2    2    3   46                                       
CONECT   18    4   26   47   48                                       
CONECT   19   16   16    7   49                                       
CONECT   20    8   22   50   51                                       
CONECT   21   12    8   13                                            
CONECT   22   20   14    1                                            
CONECT   23    3    4   52                                            
CONECT   24   25   25   12                                            
CONECT   25    9   24   24                                            
CONECT   26   18    5                                                 
CONECT   27    5    5                                                 
CONECT   28    4    4                                                 
CONECT   29    1    1                                                 
CONECT   30    9                                                      
CONECT   31    2                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
