COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.666  -0.101  -0.033  1.00  0.00           C  
HETATM    2  C   UNL     1       0.706   0.448  -0.035  1.00  0.00           C  
HETATM    3  C   UNL     1       1.057   1.452  -0.940  1.00  0.00           C  
HETATM    4  C   UNL     1       2.338   1.962  -0.938  1.00  0.00           C  
HETATM    5  C   UNL     1       3.279   1.478  -0.039  1.00  0.00           C  
HETATM    6  C   UNL     1       2.934   0.480   0.862  1.00  0.00           C  
HETATM    7  C   UNL     1       1.653  -0.031   0.872  1.00  0.00           C  
HETATM    8  C   UNL     1       5.367  -2.476  -0.725  1.00  0.00           C  
HETATM    9  C   UNL     1       6.665  -1.810  -1.189  1.00  0.00           C  
HETATM   10  C   UNL     1       6.829  -2.011  -2.697  1.00  0.00           C  
HETATM   11  C   UNL     1       6.483  -0.115   0.636  1.00  0.00           C  
HETATM   12  C   UNL     1       6.612  -0.313  -0.877  1.00  0.00           C  
HETATM   13  C   UNL     1       5.223  -2.303   0.790  1.00  0.00           C  
HETATM   14  C   UNL     1       4.828   3.008  -0.994  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.019  -1.431   0.046  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.066  -2.595   0.141  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.861  -0.292  -0.067  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.335   2.422  -0.249  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.417   1.538  -0.219  1.00  0.00           C  
HETATM   20  S   UNL     1       4.133  -0.129   2.001  1.00  0.00           S  
HETATM   21  O   UNL     1       4.735   1.011   2.598  1.00  0.00           O  
HETATM   22  O   UNL     1       3.490  -1.151   2.751  1.00  0.00           O  
HETATM   23  N   UNL     1       5.317  -0.873   1.115  1.00  0.00           N  
HETATM   24  O   UNL     1       4.540   1.983  -0.041  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.346  -1.511   0.023  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.833   0.613  -0.104  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.104   1.981  -0.194  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.194   0.179  -0.124  1.00  0.00           C  
HETATM   29 CL   UNL     1      -3.627   4.129  -0.368  1.00  0.00          Cl  
HETATM   30  N   UNL     1      -5.261  -0.711  -0.089  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.636  -0.210  -0.150  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.611  -1.388  -0.094  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.986  -0.887  -0.155  1.00  0.00           N  
HETATM   34  C   UNL     1     -10.020  -1.751  -0.121  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.435  -1.235  -0.183  1.00  0.00           C  
HETATM   36  O   UNL     1      -9.812  -2.943  -0.040  1.00  0.00           O  
HETATM   37  O   UNL     1       8.094  -1.492  -3.112  1.00  0.00           O  
HETATM   38  H   UNL     1       0.326   1.828  -1.641  1.00  0.00           H  
HETATM   39  H   UNL     1       2.610   2.738  -1.638  1.00  0.00           H  
HETATM   40  H   UNL     1       1.384  -0.804   1.577  1.00  0.00           H  
HETATM   41  H   UNL     1       4.519  -2.009  -1.226  1.00  0.00           H  
HETATM   42  H   UNL     1       5.395  -3.538  -0.969  1.00  0.00           H  
HETATM   43  H   UNL     1       7.510  -2.260  -0.669  1.00  0.00           H  
HETATM   44  H   UNL     1       6.778  -3.075  -2.930  1.00  0.00           H  
HETATM   45  H   UNL     1       6.031  -1.486  -3.223  1.00  0.00           H  
HETATM   46  H   UNL     1       7.383  -0.479   1.131  1.00  0.00           H  
HETATM   47  H   UNL     1       6.345   0.944   0.856  1.00  0.00           H  
HETATM   48  H   UNL     1       7.527   0.164  -1.230  1.00  0.00           H  
HETATM   49  H   UNL     1       5.753   0.133  -1.378  1.00  0.00           H  
HETATM   50  H   UNL     1       4.255  -2.688   1.112  1.00  0.00           H  
HETATM   51  H   UNL     1       6.019  -2.848   1.298  1.00  0.00           H  
HETATM   52  H   UNL     1       4.665   2.623  -2.001  1.00  0.00           H  
HETATM   53  H   UNL     1       4.171   3.861  -0.821  1.00  0.00           H  
HETATM   54  H   UNL     1       5.866   3.322  -0.889  1.00  0.00           H  
HETATM   55  H   UNL     1       0.185  -2.941  -0.861  1.00  0.00           H  
HETATM   56  H   UNL     1       0.842  -2.279   0.655  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.536  -3.405   0.699  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.427   1.918  -0.270  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.094  -1.665  -0.024  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.819   0.453   0.696  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.782   0.339  -1.080  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.428  -2.051  -0.940  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.465  -1.937   0.836  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.152   0.067  -0.220  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.422  -0.147  -0.253  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.934  -1.650  -1.059  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.971  -1.535   0.717  1.00  0.00           H  
HETATM   68  H   UNL     1       8.267  -1.586  -4.059  1.00  0.00           H  
CONECT    1   15   15    2   26                                       
CONECT    2    3    1    7    7                                       
CONECT    3    4    4    2   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4   24    6    6                                       
CONECT    6    5    5    7   20                                       
CONECT    7    2    2    6   40                                       
CONECT    8   13    9   41   42                                       
CONECT    9   12   10    8   43                                       
CONECT   10    9   37   44   45                                       
CONECT   11   23   12   46   47                                       
CONECT   12   11    9   48   49                                       
CONECT   13   23    8   50   51                                       
CONECT   14   24   52   53   54                                       
CONECT   15   16   25    1    1                                       
CONECT   16   15   55   56   57                                       
CONECT   17   25   25   26   28                                       
CONECT   18   27   27   19   29                                       
CONECT   19   28   28   18   58                                       
CONECT   20    6   22   22   21                                       
CONECT   20   21   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   11   13                                            
CONECT   24   14    5                                                 
CONECT   25   15   17   17                                            
CONECT   26    1   17   27                                            
CONECT   27   26   18   18                                            
CONECT   28   17   30   19   19                                       
CONECT   29   18                                                      
CONECT   30   28   31   59                                            
CONECT   31   30   32   60   61                                       
CONECT   32   31   33   62   63                                       
CONECT   33   32   34   64                                            
CONECT   34   35   33   36   36                                       
CONECT   35   34   65   66   67                                       
CONECT   36   34   34                                                 
CONECT   37   10   68                                                 
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
