COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.827   0.424   0.599  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.754  -0.189  -0.032  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.337  -0.199   2.020  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.123  -1.111   1.991  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.264  -1.427   0.645  1.00  0.00           C  
HETATM    6  C   UNL     1       2.063  -1.732   0.253  1.00  0.00           C  
HETATM    7  C   UNL     1       3.190  -2.327  -0.551  1.00  0.00           C  
HETATM    8  C   UNL     1       3.039  -1.923  -2.019  1.00  0.00           C  
HETATM    9  C   UNL     1       4.643  -0.501  -0.092  1.00  0.00           C  
HETATM   10  C   UNL     1       6.086   1.390   0.207  1.00  0.00           C  
HETATM   11  C   UNL     1       5.062   2.232  -0.188  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.445  -1.128  -0.017  1.00  0.00           C  
HETATM   13 CL   UNL     1       5.324   3.947  -0.249  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -8.172   1.401  -0.734  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.157   1.248   0.188  1.00  0.00           C  
HETATM   16  O   UNL     1       4.439  -1.844  -0.050  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.886   0.625  -0.213  1.00  0.00           C  
HETATM   18  C   UNL     1       3.150  -3.852  -0.435  1.00  0.00           C  
HETATM   19  C   UNL     1       5.878   0.025   0.256  1.00  0.00           C  
HETATM   20  C   UNL     1       3.828   1.709  -0.536  1.00  0.00           C  
HETATM   21  C   UNL     1       3.617   0.345  -0.488  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.956  -0.468  -1.336  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.487  -0.512   0.670  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.158  -0.500   2.672  1.00  0.00           C  
HETATM   25  N   UNL     1       0.786  -2.047  -0.042  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.325   1.656   1.418  1.00  0.00           N  
HETATM   27  O   UNL     1       2.304  -0.970   1.165  1.00  0.00           O  
HETATM   28  S   UNL     1      -5.513   0.029  -1.824  1.00  0.00           S  
HETATM   29  H   UNL     1      -4.817   0.708   1.641  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.142   0.284   2.555  1.00  0.00           H  
HETATM   31  H   UNL     1       0.797  -1.345   2.506  1.00  0.00           H  
HETATM   32  H   UNL     1       2.990  -0.837  -2.093  1.00  0.00           H  
HETATM   33  H   UNL     1       3.896  -2.287  -2.586  1.00  0.00           H  
HETATM   34  H   UNL     1       2.125  -2.357  -2.423  1.00  0.00           H  
HETATM   35  H   UNL     1       7.047   1.799   0.477  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.556  -1.372  -1.063  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.048   1.098  -1.647  1.00  0.00           H  
HETATM   38  H   UNL     1       2.237  -4.227  -0.897  1.00  0.00           H  
HETATM   39  H   UNL     1       4.015  -4.278  -0.942  1.00  0.00           H  
HETATM   40  H   UNL     1       3.168  -4.137   0.617  1.00  0.00           H  
HETATM   41  H   UNL     1       6.678  -0.633   0.565  1.00  0.00           H  
HETATM   42  H   UNL     1       3.030   2.368  -0.844  1.00  0.00           H  
HETATM   43  H   UNL     1       2.655  -0.063  -0.760  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.232  -0.942  -1.982  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.044  -0.256   3.718  1.00  0.00           H  
HETATM   46  H   UNL     1       0.595  -2.703  -0.730  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.163   2.067   1.683  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.010   1.812  -0.469  1.00  0.00           H  
CONECT    1   17   17    2   29                                       
CONECT    2   22   22    1   23                                       
CONECT    3   23   23   24   30                                       
CONECT    4   24   24    5   31                                       
CONECT    5   12   12    4   25                                       
CONECT    6   25   27   27    7                                       
CONECT    7    6   18   16    8                                       
CONECT    8    7   32   33   34                                       
CONECT    9   16   19   19   21                                       
CONECT   10   19   11   11   35                                       
CONECT   11   10   10   20   13                                       
CONECT   12   23    5    5   36                                       
CONECT   13   11                                                      
CONECT   14   15   37   48                                            
CONECT   15   26   26   17   14                                       
CONECT   16    7    9                                                 
CONECT   17   28   15    1    1                                       
CONECT   18    7   38   39   40                                       
CONECT   19    9    9   10   41                                       
CONECT   20   21   21   11   42                                       
CONECT   21    9   20   20   43                                       
CONECT   22   28    2    2   44                                       
CONECT   23    2    3    3   12                                       
CONECT   24    3    4    4   45                                       
CONECT   25    5    6   46                                            
CONECT   26   15   15   47                                            
CONECT   27    6    6                                                 
CONECT   28   22   17                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   14                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
