COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.088  -2.111  -0.988  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.740  -3.598  -1.095  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.294  -3.682   1.257  1.00  0.00           C  
HETATM    4  C   UNL     1       1.768  -0.683  -1.007  1.00  0.00           C  
HETATM    5  N   UNL     1       4.734   0.036   1.047  1.00  0.00           N  
HETATM    6  C   UNL     1       6.058  -0.138   0.866  1.00  0.00           C  
HETATM    7  C   UNL     1       6.368  -0.715  -0.369  1.00  0.00           C  
HETATM    8  C   UNL     1       8.417  -0.070   1.381  1.00  0.00           C  
HETATM    9  C   UNL     1       7.692  -0.965  -0.718  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.945   4.999  -0.283  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.553   2.701  -0.254  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.245   1.338  -0.362  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.216   0.389  -0.211  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.534   0.782   0.054  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.852   2.158   0.164  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.841   3.113   0.006  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.577  -0.160   0.218  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.799   0.293   0.466  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.049   1.590   0.560  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.123   2.507   0.417  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.331  -1.514   0.122  1.00  0.00           N  
HETATM   22  O   UNL     1      -5.015  -4.238   0.154  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.637  -2.196   1.388  1.00  0.00           C  
HETATM   24  O   UNL     1       0.034   0.955  -0.619  1.00  0.00           O  
HETATM   25  C   UNL     1       0.285  -0.448  -0.717  1.00  0.00           C  
HETATM   26  N   UNL     1       2.567  -0.225   0.132  1.00  0.00           N  
HETATM   27  C   UNL     1       3.943  -0.336   0.099  1.00  0.00           C  
HETATM   28  S   UNL     1       4.864  -1.003  -1.241  1.00  0.00           S  
HETATM   29  C   UNL     1       7.117   0.183   1.741  1.00  0.00           C  
HETATM   30  C   UNL     1       8.710  -0.644   0.153  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.569   3.626  -0.403  1.00  0.00           O  
HETATM   32  H   UNL     1      -4.826  -1.608  -1.918  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.156  -2.000  -0.802  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.341  -4.057  -1.879  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.682  -3.708  -1.335  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.573  -4.203   2.173  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.223  -3.795   1.086  1.00  0.00           H  
HETATM   38  H   UNL     1       1.943  -1.746  -1.170  1.00  0.00           H  
HETATM   39  H   UNL     1       2.056  -0.126  -1.900  1.00  0.00           H  
HETATM   40  H   UNL     1       9.219   0.180   2.060  1.00  0.00           H  
HETATM   41  H   UNL     1       7.922  -1.412  -1.674  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.690   5.239  -1.041  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.365   5.175   0.708  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.067   5.630  -0.423  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.969  -0.659  -0.296  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.069   4.166   0.087  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.062   1.906   0.763  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.698  -2.086   1.613  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.047  -1.756   2.191  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.315  -0.869  -1.524  1.00  0.00           H  
HETATM   51  H   UNL     1       0.018  -0.931   0.223  1.00  0.00           H  
HETATM   52  H   UNL     1       2.130   0.156   0.910  1.00  0.00           H  
HETATM   53  H   UNL     1       6.904   0.630   2.701  1.00  0.00           H  
HETATM   54  H   UNL     1       9.737  -0.838  -0.121  1.00  0.00           H  
CONECT    1   21    2   32   33                                       
CONECT    2    1   22   34   35                                       
CONECT    3   23   22   36   37                                       
CONECT    4   25   26   38   39                                       
CONECT    5   27   27    6                                            
CONECT    6    5   29   29    7                                       
CONECT    7   28    6    9    9                                       
CONECT    8   29   30   30   40                                       
CONECT    9    7    7   30   41                                       
CONECT   10   31   42   43   44                                       
CONECT   11   16   31   12   12                                       
CONECT   12   11   11   13   24                                       
CONECT   13   14   14   12   45                                       
CONECT   14   15   17   13   13                                       
CONECT   15   20   16   16   14                                       
CONECT   16   15   15   11   46                                       
CONECT   17   18   18   14   21                                       
CONECT   18   19   17   17                                            
CONECT   19   20   20   18   47                                       
CONECT   20   19   19   15                                            
CONECT   21   17   23    1                                            
CONECT   22    3    2                                                 
CONECT   23   21    3   48   49                                       
CONECT   24   12   25                                                 
CONECT   25   24    4   50   51                                       
CONECT   26    4   27   52                                            
CONECT   27   26    5    5   28                                       
CONECT   28   27    7                                                 
CONECT   29    6    6    8   53                                       
CONECT   30    8    8    9   54                                       
CONECT   31   10   11                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
