COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.886   2.552  -0.174  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.254  -1.596  -0.411  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.380  -2.796  -0.674  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.015  -0.353  -0.172  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.306   2.321   0.450  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.445   1.541   0.231  1.00  0.00           C  
HETATM    7  N   UNL     1       8.608   0.852  -2.844  1.00  0.00           N  
HETATM    8  C   UNL     1       0.593   0.106   0.046  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.813  -0.328  -0.099  1.00  0.00           C  
HETATM   10  C   UNL     1       3.228   0.920   0.317  1.00  0.00           C  
HETATM   11  C   UNL     1       7.712  -0.105  -2.181  1.00  0.00           C  
HETATM   12  C   UNL     1       6.335   0.534  -1.989  1.00  0.00           C  
HETATM   13  C   UNL     1       8.292  -0.486  -0.817  1.00  0.00           C  
HETATM   14  C   UNL     1       5.402  -0.463  -1.299  1.00  0.00           C  
HETATM   15  C   UNL     1       1.019   1.303  -0.533  1.00  0.00           C  
HETATM   16  C   UNL     1       2.330   1.704  -0.396  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.313   0.202  -0.080  1.00  0.00           C  
HETATM   18  C   UNL     1       2.807  -0.268   0.899  1.00  0.00           C  
HETATM   19  C   UNL     1       1.496  -0.677   0.766  1.00  0.00           C  
HETATM   20  C   UNL     1       5.982  -0.844   0.065  1.00  0.00           C  
HETATM   21  C   UNL     1       7.358  -1.483  -0.127  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.826  -1.073  -0.488  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.775   0.002  -0.202  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.253  -1.250  -0.604  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.630  -0.645  -0.502  1.00  0.00           C  
HETATM   26  S   UNL     1       3.950  -1.259   1.802  1.00  0.00           S  
HETATM   27  O   UNL     1       4.625  -0.381   2.693  1.00  0.00           O  
HETATM   28  O   UNL     1       3.233  -2.406   2.236  1.00  0.00           O  
HETATM   29  N   UNL     1       5.088  -1.798   0.726  1.00  0.00           N  
HETATM   30  O   UNL     1       4.520   1.319   0.450  1.00  0.00           O  
HETATM   31  N   UNL     1      -2.583  -1.577  -0.447  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.929   0.452   0.051  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.108   1.802   0.364  1.00  0.00           N  
HETATM   34 CL   UNL     1      -3.484   4.003   0.840  1.00  0.00          Cl  
HETATM   35  N   UNL     1      -5.436  -0.586  -0.300  1.00  0.00           N  
HETATM   36  N   UNL     1      -9.164  -0.485  -0.390  1.00  0.00           N  
HETATM   37  O   UNL     1     -10.125  -2.424  -0.877  1.00  0.00           O  
HETATM   38  H   UNL     1       5.941   2.752   0.009  1.00  0.00           H  
HETATM   39  H   UNL     1       4.710   2.482  -1.247  1.00  0.00           H  
HETATM   40  H   UNL     1       4.285   3.361   0.241  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.140  -2.845  -1.735  1.00  0.00           H  
HETATM   42  H   UNL     1       0.540  -2.708  -0.096  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.910  -3.702  -0.379  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.427   1.984   0.306  1.00  0.00           H  
HETATM   45  H   UNL     1       9.524   0.453  -2.982  1.00  0.00           H  
HETATM   46  H   UNL     1       8.216   1.169  -3.718  1.00  0.00           H  
HETATM   47  H   UNL     1       7.615  -0.999  -2.797  1.00  0.00           H  
HETATM   48  H   UNL     1       6.432   1.428  -1.373  1.00  0.00           H  
HETATM   49  H   UNL     1       5.922   0.806  -2.961  1.00  0.00           H  
HETATM   50  H   UNL     1       9.273  -0.941  -0.954  1.00  0.00           H  
HETATM   51  H   UNL     1       8.389   0.408  -0.201  1.00  0.00           H  
HETATM   52  H   UNL     1       4.421  -0.007  -1.162  1.00  0.00           H  
HETATM   53  H   UNL     1       5.305  -1.356  -1.915  1.00  0.00           H  
HETATM   54  H   UNL     1       0.322   1.914  -1.087  1.00  0.00           H  
HETATM   55  H   UNL     1       2.661   2.630  -0.843  1.00  0.00           H  
HETATM   56  H   UNL     1       1.170  -1.601   1.220  1.00  0.00           H  
HETATM   57  H   UNL     1       6.078   0.050   0.681  1.00  0.00           H  
HETATM   58  H   UNL     1       7.261  -2.376  -0.743  1.00  0.00           H  
HETATM   59  H   UNL     1       7.771  -1.754   0.845  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.676  -1.469  -1.492  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.728  -1.879   0.239  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.872   0.808  -0.929  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.924   0.398   0.802  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.931  -0.263  -1.477  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.338  -1.406  -0.176  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.616   0.172   0.220  1.00  0.00           H  
HETATM   67  H   UNL     1       5.162  -2.746   0.533  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.334  -1.526  -0.519  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.266   0.454  -0.170  1.00  0.00           H  
CONECT    1   30   38   39   40                                       
CONECT    2    3   31    9    9                                       
CONECT    3    2   41   42   43                                       
CONECT    4   31   31   32   17                                       
CONECT    5   33   33    6   34                                       
CONECT    6   17   17    5   44                                       
CONECT    7   11   45   46                                            
CONECT    8   15    9   19   19                                       
CONECT    9    2    2    8   32                                       
CONECT   10   16   30   18   18                                       
CONECT   11   13   12    7   47                                       
CONECT   12   14   11   48   49                                       
CONECT   13   21   11   50   51                                       
CONECT   14   20   12   52   53                                       
CONECT   15   16   16    8   54                                       
CONECT   16   15   15   10   55                                       
CONECT   17    4   35    6    6                                       
CONECT   18   10   10   19   26                                       
CONECT   19    8    8   18   56                                       
CONECT   20   29   21   14   57                                       
CONECT   21   20   13   58   59                                       
CONECT   22   23   36   60   61                                       
CONECT   23   35   22   62   63                                       
CONECT   24   37   37   36   25                                       
CONECT   25   24   64   65   66                                       
CONECT   26   18   28   28   29                                       
CONECT   26   27   27                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   20   67                                            
CONECT   30    1   10                                                 
CONECT   31    2    4    4                                            
CONECT   32    9    4   33                                            
CONECT   33   32    5    5                                            
CONECT   34    5                                                      
CONECT   35   17   23   68                                            
CONECT   36   22   24   69                                            
CONECT   37   24   24                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   29                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
