COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.029  -4.595   0.626  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.762  -3.219   0.517  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.446  -2.805   0.271  1.00  0.00           C  
HETATM    4  N   UNL     1       0.496  -3.736   0.150  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.018  -5.452   0.486  1.00  0.00           N  
HETATM    6  C   UNL     1       0.203  -5.019   0.259  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.973  -3.506   0.911  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.048  -2.536   0.707  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.288  -1.073   0.682  1.00  0.00           C  
HETATM   10  C   UNL     1       1.202  -1.059   0.047  1.00  0.00           C  
HETATM   11  C   UNL     1       1.520   0.124  -0.607  1.00  0.00           C  
HETATM   12  C   UNL     1       2.838   0.523  -0.709  1.00  0.00           C  
HETATM   13  C   UNL     1       3.844  -0.256  -0.158  1.00  0.00           C  
HETATM   14  C   UNL     1       3.527  -1.439   0.496  1.00  0.00           C  
HETATM   15  C   UNL     1       2.209  -1.840   0.599  1.00  0.00           C  
HETATM   16  C   UNL     1       5.396   1.365  -0.945  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.315  -0.548  -0.100  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.535   0.819  -0.120  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.730   1.666   0.641  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.709   1.141   1.417  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.490  -0.222   1.445  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.083   3.816   1.423  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.476   5.287   1.273  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.553   6.153   2.132  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.017   0.671  -1.978  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.204   1.184  -2.752  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.507   0.233  -3.911  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.370  -4.734   0.863  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.135  -1.462   0.155  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.567   1.352  -0.906  1.00  0.00           N  
HETATM   31  O   UNL     1       5.142   0.138  -0.259  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.946   3.008   0.620  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.468  -0.355  -2.320  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.920   7.526   1.992  1.00  0.00           O  
HETATM   35 CL   UNL     1       4.787  -2.414   1.185  1.00  0.00          Cl  
HETATM   36  C   UNL     1       6.878   1.637  -0.956  1.00  0.00           C  
HETATM   37  C   UNL     1       7.742   0.740  -0.358  1.00  0.00           C  
HETATM   38  C   UNL     1       9.104   0.999  -0.374  1.00  0.00           C  
HETATM   39  C   UNL     1       9.547   2.157  -0.994  1.00  0.00           C  
HETATM   40  C   UNL     1       8.624   3.008  -1.572  1.00  0.00           C  
HETATM   41  N   UNL     1       7.336   2.726  -1.542  1.00  0.00           N  
HETATM   42  H   UNL     1       0.997  -5.743   0.151  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.025  -3.336   1.085  1.00  0.00           H  
HETATM   44  H   UNL     1       0.737   0.731  -1.037  1.00  0.00           H  
HETATM   45  H   UNL     1       3.086   1.443  -1.218  1.00  0.00           H  
HETATM   46  H   UNL     1       1.962  -2.760   1.108  1.00  0.00           H  
HETATM   47  H   UNL     1       5.032   1.291  -1.970  1.00  0.00           H  
HETATM   48  H   UNL     1       4.881   2.180  -0.435  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.938  -1.205  -0.689  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.087   1.799   2.005  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.697  -0.629   2.055  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.052   3.681   1.099  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.177   3.520   2.468  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.382   5.583   0.228  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.508   5.423   1.597  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.647   5.857   3.177  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.521   6.017   1.808  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.070   1.241  -2.093  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.980   2.176  -3.145  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.640   0.175  -4.570  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.731  -0.759  -3.519  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.365   0.604  -4.471  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.827  -5.581   0.980  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.843  -0.799   0.149  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.956   2.210  -0.677  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.375   8.134   2.510  1.00  0.00           H  
HETATM   67  H   UNL     1       7.361  -0.153   0.117  1.00  0.00           H  
HETATM   68  H   UNL     1       9.802   0.316   0.086  1.00  0.00           H  
HETATM   69  H   UNL     1      10.601   2.391  -1.026  1.00  0.00           H  
HETATM   70  H   UNL     1       8.962   3.912  -2.057  1.00  0.00           H  
CONECT    1    5   28    2    2                                       
CONECT    2    1    1    3    8                                       
CONECT    3    4    4    2   29                                       
CONECT    4    6    3    3                                            
CONECT    5    6    6    1                                            
CONECT    6    5    5    4   42                                       
CONECT    7   28    8    8   43                                       
CONECT    8    2    7    7    9                                       
CONECT    9   17    8   21   21                                       
CONECT   10   11   29   15   15                                       
CONECT   11   12   12   10   44                                       
CONECT   12   11   11   13   45                                       
CONECT   13   12   31   14   14                                       
CONECT   14   13   13   15   35                                       
CONECT   15   10   10   14   46                                       
CONECT   16   36   31   47   48                                       
CONECT   17   18   18    9   49                                       
CONECT   18   30   17   17   19                                       
CONECT   19   18   32   20   20                                       
CONECT   20   19   19   21   50                                       
CONECT   21    9    9   20   51                                       
CONECT   22   32   23   52   53                                       
CONECT   23   24   22   54   55                                       
CONECT   24   34   23   56   57                                       
CONECT   25   26   33   33   30                                       
CONECT   26   27   25   58   59                                       
CONECT   27   26   60   61   62                                       
CONECT   28    1    7   63                                            
CONECT   29    3   10   64                                            
CONECT   30   25   18   65                                            
CONECT   31   16   13                                                 
CONECT   32   19   22                                                 
CONECT   33   25   25                                                 
CONECT   34   24   66                                                 
CONECT   35   14                                                      
CONECT   36   37   16   41   41                                       
CONECT   37   38   38   36   67                                       
CONECT   38   37   37   39   68                                       
CONECT   39   38   40   40   69                                       
CONECT   40   39   39   41   70                                       
CONECT   41   36   36   40                                            
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
