COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.827   2.511   0.893  1.00  0.00           C  
HETATM    2  O   UNL     1       7.920   1.210   1.479  1.00  0.00           O  
HETATM    3  C   UNL     1       7.011   0.426   0.842  1.00  0.00           C  
HETATM    4  C   UNL     1       6.871  -0.907   1.200  1.00  0.00           C  
HETATM    5  C   UNL     1       5.947  -1.702   0.551  1.00  0.00           C  
HETATM    6  C   UNL     1       5.161  -1.170  -0.455  1.00  0.00           C  
HETATM    7  C   UNL     1       5.299   0.158  -0.814  1.00  0.00           C  
HETATM    8  C   UNL     1       6.218   0.959  -0.164  1.00  0.00           C  
HETATM    9  S   UNL     1       3.983  -2.187  -1.281  1.00  0.00           S  
HETATM   10  O   UNL     1       4.430  -3.523  -1.098  1.00  0.00           O  
HETATM   11  O   UNL     1       3.747  -1.563  -2.536  1.00  0.00           O  
HETATM   12  N   UNL     1       2.557  -2.070  -0.447  1.00  0.00           N  
HETATM   13  C   UNL     1       1.847  -0.791  -0.384  1.00  0.00           C  
HETATM   14  C   UNL     1       0.416  -1.025   0.105  1.00  0.00           C  
HETATM   15  O   UNL     1       0.445  -1.507   1.449  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.363   0.291   0.051  1.00  0.00           C  
HETATM   17  C   UNL     1       0.246   1.285   1.042  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.460   2.611   0.923  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.497   2.921   1.783  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.146   4.137   1.673  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.757   5.043   0.704  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.719   4.733  -0.155  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.068   3.519  -0.043  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.767   0.044   0.406  1.00  0.00           N1+
HETATM   25  C   UNL     1      -2.390  -0.799  -0.623  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.806  -1.121  -0.218  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.098  -2.339   0.363  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.398  -2.635   0.736  1.00  0.00           C  
HETATM   29 CL   UNL     1      -5.762  -4.167   1.467  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -6.408  -1.712   0.527  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.121  -0.493  -0.054  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.816  -0.191  -0.424  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.523   1.043  -1.012  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.608   1.344  -2.364  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.267   2.574  -2.546  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.930   3.137  -1.308  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.096   2.165  -0.359  1.00  0.00           N  
HETATM   38  H   UNL     1       8.050   2.446  -0.172  1.00  0.00           H  
HETATM   39  H   UNL     1       6.817   2.899   1.030  1.00  0.00           H  
HETATM   40  H   UNL     1       8.541   3.178   1.374  1.00  0.00           H  
HETATM   41  H   UNL     1       7.485  -1.322   1.986  1.00  0.00           H  
HETATM   42  H   UNL     1       5.837  -2.739   0.829  1.00  0.00           H  
HETATM   43  H   UNL     1       4.685   0.571  -1.601  1.00  0.00           H  
HETATM   44  H   UNL     1       6.326   1.996  -0.445  1.00  0.00           H  
HETATM   45  H   UNL     1       2.192  -2.850   0.001  1.00  0.00           H  
HETATM   46  H   UNL     1       2.362  -0.122   0.306  1.00  0.00           H  
HETATM   47  H   UNL     1       1.823  -0.340  -1.376  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.070  -1.761  -0.535  1.00  0.00           H  
HETATM   49  H   UNL     1       0.883  -0.827   1.981  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.310   0.704  -0.956  1.00  0.00           H  
HETATM   51  H   UNL     1       0.133   0.903   2.057  1.00  0.00           H  
HETATM   52  H   UNL     1       1.306   1.417   0.820  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.802   2.213   2.539  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.957   4.379   2.344  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.264   5.993   0.618  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.415   5.441  -0.912  1.00  0.00           H  
HETATM   57  H   UNL     1       0.743   3.277  -0.714  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.811  -0.425   1.298  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.259   0.923   0.464  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.396  -0.267  -1.574  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.823  -1.724  -0.727  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.312  -3.061   0.527  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.421  -1.946   0.818  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.910   0.227  -0.217  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.918   0.659  -3.140  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.634   4.048  -1.152  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.858   2.464   0.232  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8    8   43                                       
CONECT    8    3    7    7   44                                       
CONECT    9    6   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   45                                            
CONECT   13   12   14   46   47                                       
CONECT   14   13   15   16   48                                       
CONECT   15   14   49                                                 
CONECT   16   14   17   24   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   53                                       
CONECT   20   19   21   21   54                                       
CONECT   21   20   20   22   55                                       
CONECT   22   21   23   23   56                                       
CONECT   23   18   22   22   57                                       
CONECT   24   16   25   58   59                                       
CONECT   25   24   26   60   61                                       
CONECT   26   25   27   27   32                                       
CONECT   27   26   26   28   62                                       
CONECT   28   27   29   30   30                                       
CONECT   29   28                                                      
CONECT   30   28   28   31   63                                       
CONECT   31   30   32   32   64                                       
CONECT   32   26   31   31   33                                       
CONECT   33   32   34   37                                            
CONECT   34   33   35   35   65                                       
CONECT   35   34   34   36                                            
CONECT   36   35   37   66                                            
CONECT   37   33   36   67                                            
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
