COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.141   6.332   0.498  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.224   6.441   0.300  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.980   5.320   0.017  1.00  0.00           C  
HETATM    4  C   UNL     1       1.666   2.638   0.039  1.00  0.00           C  
HETATM    5  C   UNL     1       3.040   2.536   0.239  1.00  0.00           C  
HETATM    6  C   UNL     1       3.644   1.281   0.150  1.00  0.00           C  
HETATM    7  C   UNL     1       2.836   0.176  -0.139  1.00  0.00           C  
HETATM    8  C   UNL     1       1.479   0.363  -0.324  1.00  0.00           C  
HETATM    9  C   UNL     1       5.103   1.123   0.354  1.00  0.00           C  
HETATM   10  C   UNL     1       7.110  -0.254   0.466  1.00  0.00           C  
HETATM   11  C   UNL     1       7.490  -1.728   0.309  1.00  0.00           C  
HETATM   12  C   UNL     1       8.997  -1.892   0.521  1.00  0.00           C  
HETATM   13  C   UNL     1      10.757  -3.543   0.799  1.00  0.00           C  
HETATM   14  C   UNL     1       9.299  -3.724  -1.054  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.493   3.182  -0.665  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.457   2.759   0.458  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.116   2.044  -1.493  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.880   0.423  -1.240  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.318  -3.316  -0.951  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.520  -1.010  -0.007  1.00  0.00           C  
HETATM   21 CL   UNL     1      -8.037  -4.956   0.347  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -7.415  -3.401  -0.113  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.820  -2.078  -1.312  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.017  -2.247   0.360  1.00  0.00           C  
HETATM   25 CL   UNL     1      -9.398  -2.353   1.406  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -6.420  -0.925  -0.840  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.826   0.871  -0.226  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.299   2.186  -0.616  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.115   2.974  -0.348  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.373   4.077  -0.070  1.00  0.00           C  
HETATM   31  C   UNL     1       1.007   3.963   0.130  1.00  0.00           C  
HETATM   32  C   UNL     1       1.759   5.101   0.414  1.00  0.00           C  
HETATM   33  N   UNL     1       0.941   1.562  -0.238  1.00  0.00           N  
HETATM   34  O   UNL     1       5.791   2.093   0.604  1.00  0.00           O  
HETATM   35  N   UNL     1       5.668  -0.098   0.264  1.00  0.00           N  
HETATM   36  N   UNL     1       9.361  -3.307   0.370  1.00  0.00           N  
HETATM   37  C   UNL     1      10.184  -4.995  -1.090  1.00  0.00           C  
HETATM   38  C   UNL     1      11.328  -4.648  -0.109  1.00  0.00           C  
HETATM   39  H   UNL     1       1.726   7.214   0.714  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.701   7.408   0.367  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.045   5.411  -0.136  1.00  0.00           H  
HETATM   42  H   UNL     1       3.629   3.414   0.460  1.00  0.00           H  
HETATM   43  H   UNL     1       3.267  -0.811  -0.217  1.00  0.00           H  
HETATM   44  H   UNL     1       0.851  -0.486  -0.547  1.00  0.00           H  
HETATM   45  H   UNL     1       7.376   0.085   1.467  1.00  0.00           H  
HETATM   46  H   UNL     1       7.647   0.340  -0.273  1.00  0.00           H  
HETATM   47  H   UNL     1       6.953  -2.322   1.048  1.00  0.00           H  
HETATM   48  H   UNL     1       7.225  -2.067  -0.692  1.00  0.00           H  
HETATM   49  H   UNL     1       9.534  -1.297  -0.218  1.00  0.00           H  
HETATM   50  H   UNL     1       9.262  -1.553   1.522  1.00  0.00           H  
HETATM   51  H   UNL     1      11.341  -2.629   0.683  1.00  0.00           H  
HETATM   52  H   UNL     1      10.779  -3.868   1.839  1.00  0.00           H  
HETATM   53  H   UNL     1       8.275  -3.960  -1.341  1.00  0.00           H  
HETATM   54  H   UNL     1       9.710  -2.950  -1.702  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.691   4.176  -1.065  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.042   2.014   1.136  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.920   3.598   0.978  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.306   2.311  -2.533  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.601   1.089  -1.386  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.426   0.354  -2.229  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.693   1.148  -1.263  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.848  -4.215  -1.320  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.992  -0.109   0.357  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.960  -2.011  -1.962  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.279   0.940   0.763  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.012   0.146  -0.203  1.00  0.00           H  
HETATM   67  H   UNL     1       2.825   5.020   0.566  1.00  0.00           H  
HETATM   68  H   UNL     1       5.119  -0.872   0.064  1.00  0.00           H  
HETATM   69  H   UNL     1       9.627  -5.864  -0.740  1.00  0.00           H  
HETATM   70  H   UNL     1      10.573  -5.166  -2.094  1.00  0.00           H  
HETATM   71  H   UNL     1      12.196  -4.278  -0.655  1.00  0.00           H  
HETATM   72  H   UNL     1      11.597  -5.523   0.483  1.00  0.00           H  
CONECT    1    2    2   32   39                                       
CONECT    2    3    1    1   40                                       
CONECT    3   30   30    2   41                                       
CONECT    4   33   31    5    5                                       
CONECT    5    4    4    6   42                                       
CONECT    6    7    7    5    9                                       
CONECT    7    8    6    6   43                                       
CONECT    8   33   33    7   44                                       
CONECT    9    6   34   34   35                                       
CONECT   10   35   11   45   46                                       
CONECT   11   10   12   47   48                                       
CONECT   12   11   36   49   50                                       
CONECT   13   36   38   51   52                                       
CONECT   14   36   37   53   54                                       
CONECT   15   16   17   29   55                                       
CONECT   16   15   28   56   57                                       
CONECT   17   15   28   58   59                                       
CONECT   18   27   26   60   61                                       
CONECT   19   23   23   22   62                                       
CONECT   20   26   26   24   63                                       
CONECT   21   22                                                      
CONECT   22   24   24   19   21                                       
CONECT   23   26   19   19   64                                       
CONECT   24   20   25   22   22                                       
CONECT   25   24                                                      
CONECT   26   18   20   20   23                                       
CONECT   27   28   18   65   66                                       
CONECT   28   16   17   27                                            
CONECT   29   15   30                                                 
CONECT   30    3    3   29   31                                       
CONECT   31   30    4   32   32                                       
CONECT   32   31   31    1   67                                       
CONECT   33    8    8    4                                            
CONECT   34    9    9                                                 
CONECT   35    9   10   68                                            
CONECT   36   12   13   14                                            
CONECT   37   14   38   69   70                                       
CONECT   38   13   37   71   72                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
