COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.061  -2.047  -0.645  1.00  0.00           C  
HETATM    2  N   UNL     1       4.773  -3.426   0.509  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.413   2.477  -1.495  1.00  0.00           O  
HETATM    4  S   UNL     1      -4.468   1.525  -1.488  1.00  0.00           S  
HETATM    5 CL   UNL     1      -7.627  -0.609   2.372  1.00  0.00          Cl  
HETATM    6  C   UNL     1       1.179  -3.430  -0.464  1.00  0.00           C  
HETATM    7  N   UNL     1       5.479  -2.221   0.571  1.00  0.00           N  
HETATM    8  O   UNL     1      -5.748   1.778  -2.051  1.00  0.00           O  
HETATM    9  C   UNL     1       2.365  -3.983  -0.083  1.00  0.00           C  
HETATM   10  N   UNL     1       5.054   0.125   0.203  1.00  0.00           N  
HETATM   11  O   UNL     1       7.138  -0.339   0.818  1.00  0.00           O  
HETATM   12  C   UNL     1       2.155  -1.220  -0.437  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.883   0.173  -2.245  1.00  0.00           N  
HETATM   14  O   UNL     1       5.877   2.940   0.123  1.00  0.00           O  
HETATM   15  C   UNL     1       3.373  -1.780  -0.047  1.00  0.00           C  
HETATM   16  C   UNL     1       3.479  -3.173   0.131  1.00  0.00           C  
HETATM   17  C   UNL     1       4.695  -1.225   0.251  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.237  -1.464  -1.065  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.338  -2.292  -1.280  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.543  -1.749  -1.670  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.662  -0.375  -1.850  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.566   0.453  -1.636  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.360  -0.086  -1.240  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.743   1.099   0.200  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.775   1.373   1.148  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.990   1.039   2.472  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.172   0.430   2.849  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.141   0.156   1.900  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.928   0.496   0.576  1.00  0.00           C  
HETATM   30  C   UNL     1       6.313   0.499   0.504  1.00  0.00           C  
HETATM   31  C   UNL     1       6.689   1.916   0.454  1.00  0.00           C  
HETATM   32  C   UNL     1       6.562   4.089   0.185  1.00  0.00           C  
HETATM   33  C   UNL     1       7.832   3.818   0.559  1.00  0.00           C  
HETATM   34  C   UNL     1       7.924   2.428   0.734  1.00  0.00           C  
HETATM   35  H   UNL     1       5.140  -4.303   0.702  1.00  0.00           H  
HETATM   36  H   UNL     1       0.321  -4.065  -0.628  1.00  0.00           H  
HETATM   37  H   UNL     1       2.443  -5.052   0.052  1.00  0.00           H  
HETATM   38  H   UNL     1       4.396   0.793  -0.047  1.00  0.00           H  
HETATM   39  H   UNL     1       2.065  -0.153  -0.576  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.389  -0.237  -2.964  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.246  -3.359  -1.141  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.396  -2.390  -1.837  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.660   1.519  -1.777  1.00  0.00           H  
HETATM   44  H   UNL     1       0.490   0.558  -1.069  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.851   1.848   0.854  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.233   1.253   3.213  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.339   0.169   3.883  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.686   0.286  -0.164  1.00  0.00           H  
HETATM   49  H   UNL     1       6.166   5.071  -0.029  1.00  0.00           H  
HETATM   50  H   UNL     1       8.627   4.536   0.698  1.00  0.00           H  
HETATM   51  H   UNL     1       8.800   1.872   1.032  1.00  0.00           H  
CONECT    1    6    6   12   18                                       
CONECT    2    7   16   35                                            
CONECT    3    4    4                                                 
CONECT    4    3    3    8    8                                       
CONECT    4   13   24                                                 
CONECT    5   28                                                      
CONECT    6    1    1    9   36                                       
CONECT    7    2   17   17                                            
CONECT    8    4    4                                                 
CONECT    9    6   16   16   37                                       
CONECT   10   17   30   38                                            
CONECT   11   30   30                                                 
CONECT   12    1   15   15   39                                       
CONECT   13    4   21   40                                            
CONECT   14   31   32                                                 
CONECT   15   12   12   16   17                                       
CONECT   16    2    9    9   15                                       
CONECT   17    7    7   10   15                                       
CONECT   18    1   19   19   23                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21   21   42                                       
CONECT   21   13   20   20   22                                       
CONECT   22   21   23   23   43                                       
CONECT   23   18   22   22   44                                       
CONECT   24    4   25   25   29                                       
CONECT   25   24   24   26   45                                       
CONECT   26   25   27   27   46                                       
CONECT   27   26   26   28   47                                       
CONECT   28    5   27   29   29                                       
CONECT   29   24   28   28   48                                       
CONECT   30   10   11   11   31                                       
CONECT   31   14   30   34   34                                       
CONECT   32   14   33   33   49                                       
CONECT   33   32   32   34   50                                       
CONECT   34   31   31   33   51                                       
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   32                                                      
CONECT   50   33                                                      
CONECT   51   34                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
