COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.309  -0.977   1.037  1.00  0.00           C  
HETATM    2  C   UNL     1       6.102  -2.274   0.901  1.00  0.00           C  
HETATM    3  C   UNL     1       5.273  -3.302   0.121  1.00  0.00           C  
HETATM    4  C   UNL     1       6.313  -2.841   2.323  1.00  0.00           C  
HETATM    5  N   UNL     1       7.402  -2.082   0.294  1.00  0.00           N  
HETATM    6  O   UNL     1       8.459  -1.917   1.291  1.00  0.00           O  
HETATM    7  C   UNL     1       7.559  -1.175  -0.824  1.00  0.00           C  
HETATM    8  C   UNL     1       7.186  -1.856  -2.147  1.00  0.00           C  
HETATM    9  C   UNL     1       9.049  -0.778  -0.919  1.00  0.00           C  
HETATM   10  C   UNL     1       6.750   0.110  -0.667  1.00  0.00           C  
HETATM   11  C   UNL     1       5.305  -0.214  -0.288  1.00  0.00           C  
HETATM   12  N   UNL     1       4.556   1.038  -0.122  1.00  0.00           N  
HETATM   13  C   UNL     1       3.218   1.050  -0.287  1.00  0.00           C  
HETATM   14  O   UNL     1       2.632   0.025  -0.573  1.00  0.00           O  
HETATM   15  C   UNL     1       2.464   2.311  -0.120  1.00  0.00           C  
HETATM   16  C   UNL     1       1.080   2.325  -0.285  1.00  0.00           C  
HETATM   17  C   UNL     1       3.136   3.491   0.208  1.00  0.00           C  
HETATM   18  C   UNL     1       2.430   4.666   0.364  1.00  0.00           C  
HETATM   19  C   UNL     1       1.058   4.681   0.196  1.00  0.00           C  
HETATM   20  C   UNL     1       0.379   3.512  -0.127  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.009   3.531  -0.291  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.746   2.386  -0.069  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.417   2.227  -0.387  1.00  0.00           S  
HETATM   24  N   UNL     1      -1.264   1.274   0.407  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.096   0.276   0.559  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.380   0.560   0.182  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.517  -0.358   0.237  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.364  -1.492   0.653  1.00  0.00           O  
HETATM   29  N   UNL     1      -5.734   0.052  -0.172  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.844  -0.784  -0.012  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.803  -2.094  -0.477  1.00  0.00           C  
HETATM   32 CL   UNL     1      -5.374  -2.694  -1.259  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -7.901  -2.917  -0.317  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.040  -2.439   0.306  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.083  -1.137   0.770  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.987  -0.310   0.617  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.034   1.107   1.129  1.00  0.00           C  
HETATM   38  H   UNL     1       4.281  -1.208   1.325  1.00  0.00           H  
HETATM   39  H   UNL     1       5.761  -0.354   1.813  1.00  0.00           H  
HETATM   40  H   UNL     1       4.316  -3.451   0.621  1.00  0.00           H  
HETATM   41  H   UNL     1       5.102  -2.937  -0.891  1.00  0.00           H  
HETATM   42  H   UNL     1       5.812  -4.248   0.080  1.00  0.00           H  
HETATM   43  H   UNL     1       5.345  -3.033   2.785  1.00  0.00           H  
HETATM   44  H   UNL     1       6.878  -3.772   2.263  1.00  0.00           H  
HETATM   45  H   UNL     1       6.865  -2.119   2.924  1.00  0.00           H  
HETATM   46  H   UNL     1       9.340  -1.786   0.913  1.00  0.00           H  
HETATM   47  H   UNL     1       6.147  -2.183  -2.107  1.00  0.00           H  
HETATM   48  H   UNL     1       7.314  -1.150  -2.967  1.00  0.00           H  
HETATM   49  H   UNL     1       7.833  -2.719  -2.306  1.00  0.00           H  
HETATM   50  H   UNL     1       9.654  -1.671  -1.074  1.00  0.00           H  
HETATM   51  H   UNL     1       9.190  -0.094  -1.755  1.00  0.00           H  
HETATM   52  H   UNL     1       9.354  -0.289   0.006  1.00  0.00           H  
HETATM   53  H   UNL     1       7.199   0.730   0.113  1.00  0.00           H  
HETATM   54  H   UNL     1       6.761   0.665  -1.608  1.00  0.00           H  
HETATM   55  H   UNL     1       4.832  -0.808  -1.066  1.00  0.00           H  
HETATM   56  H   UNL     1       5.024   1.857   0.106  1.00  0.00           H  
HETATM   57  H   UNL     1       0.555   1.415  -0.536  1.00  0.00           H  
HETATM   58  H   UNL     1       4.207   3.483   0.341  1.00  0.00           H  
HETATM   59  H   UNL     1       2.951   5.577   0.619  1.00  0.00           H  
HETATM   60  H   UNL     1       0.510   5.604   0.320  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.454   4.350  -0.560  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.796  -0.687   0.945  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.840   0.926  -0.578  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.871  -3.934  -0.678  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.897  -3.084   0.430  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.974  -0.767   1.256  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.413   1.763   0.346  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.691   1.158   1.997  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.030   1.423   1.414  1.00  0.00           H  
CONECT    1    2   11   38   39                                       
CONECT    2    3    5    4    1                                       
CONECT    3    2   40   41   42                                       
CONECT    4    2   43   44   45                                       
CONECT    5    6    7    2                                            
CONECT    6    5   46                                                 
CONECT    7    8    9    5   10                                       
CONECT    8    7   47   48   49                                       
CONECT    9    7   50   51   52                                       
CONECT   10    7   11   53   54                                       
CONECT   11   10    1   12   55                                       
CONECT   12   11   13   56                                            
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   17                                       
CONECT   16   15   15   20   57                                       
CONECT   17   15   18   18   58                                       
CONECT   18   17   17   19   59                                       
CONECT   19   20   20   18   60                                       
CONECT   20   16   21   19   19                                       
CONECT   21   20   22   61                                            
CONECT   22   21   24   24   23                                       
CONECT   23   22   26                                                 
CONECT   24   22   22   25                                            
CONECT   25   24   26   26   62                                       
CONECT   26   25   25   23   27                                       
CONECT   27   26   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   63                                            
CONECT   30   29   36   36   31                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31                                                      
CONECT   33   31   31   34   64                                       
CONECT   34   35   35   33   65                                       
CONECT   35   36   34   34   66                                       
CONECT   36   37   30   30   35                                       
CONECT   37   36   67   68   69                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   25                                                      
CONECT   63   29                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
