COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.416  -4.283  -0.240  1.00  0.00           C  
HETATM    2  C   UNL     1       3.027  -4.410   0.390  1.00  0.00           C  
HETATM    3  C   UNL     1       3.137  -5.156   1.722  1.00  0.00           C  
HETATM    4  N   UNL     1       1.668  -0.979  -0.474  1.00  0.00           N  
HETATM    5  C   UNL     1       2.502   0.063  -0.322  1.00  0.00           C  
HETATM    6  C   UNL     1       1.982   1.359  -0.097  1.00  0.00           C  
HETATM    7  C   UNL     1       0.616   1.545  -0.034  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.253   0.435  -0.197  1.00  0.00           C  
HETATM    9  C   UNL     1       0.306  -0.815  -0.421  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.190  -0.718  -0.339  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.620   1.094   0.081  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.050   0.623   0.039  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.852   0.873   1.045  1.00  0.00           C  
HETATM   14  C   UNL     1       2.964   3.194   1.290  1.00  0.00           C  
HETATM   15  C   UNL     1       2.448  -3.015   0.634  1.00  0.00           C  
HETATM   16  C   UNL     1       2.222  -2.315  -0.708  1.00  0.00           C  
HETATM   17  O   UNL     1       3.709  -0.108  -0.379  1.00  0.00           O  
HETATM   18  S   UNL     1      -1.000  -1.988  -0.583  1.00  0.00           S  
HETATM   19  N   UNL     1      -1.603   0.415  -0.175  1.00  0.00           N  
HETATM   20  N   UNL     1      -3.564  -0.908  -0.335  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.389   0.140  -0.138  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.928   1.252   0.037  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.723  -0.045  -0.133  1.00  0.00           N  
HETATM   24  C   UNL     1       2.899   2.510   0.072  1.00  0.00           C  
HETATM   25  C   UNL     1       3.838   4.263   1.397  1.00  0.00           C  
HETATM   26  C   UNL     1       4.614   4.614   0.308  1.00  0.00           C  
HETATM   27  N   UNL     1       4.535   3.946  -0.827  1.00  0.00           N  
HETATM   28  C   UNL     1       3.712   2.930  -0.980  1.00  0.00           C  
HETATM   29  H   UNL     1       4.828  -5.277  -0.413  1.00  0.00           H  
HETATM   30  H   UNL     1       4.337  -3.752  -1.188  1.00  0.00           H  
HETATM   31  H   UNL     1       5.071  -3.730   0.433  1.00  0.00           H  
HETATM   32  H   UNL     1       2.372  -4.963  -0.283  1.00  0.00           H  
HETATM   33  H   UNL     1       2.148  -5.246   2.171  1.00  0.00           H  
HETATM   34  H   UNL     1       3.549  -6.150   1.548  1.00  0.00           H  
HETATM   35  H   UNL     1       3.793  -4.603   2.395  1.00  0.00           H  
HETATM   36  H   UNL     1       0.210   2.531   0.139  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.459   1.836  -0.702  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.413   1.542   1.053  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.415   0.078  -0.819  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.877   0.534   1.015  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.488   1.417   1.904  1.00  0.00           H  
HETATM   42  H   UNL     1       2.346   2.899   2.125  1.00  0.00           H  
HETATM   43  H   UNL     1       1.499  -3.102   1.163  1.00  0.00           H  
HETATM   44  H   UNL     1       3.147  -2.431   1.234  1.00  0.00           H  
HETATM   45  H   UNL     1       1.523  -2.898  -1.308  1.00  0.00           H  
HETATM   46  H   UNL     1       3.171  -2.227  -1.237  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.931  -1.795  -0.474  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.091  -0.931  -0.272  1.00  0.00           H  
HETATM   49  H   UNL     1       3.911   4.817   2.321  1.00  0.00           H  
HETATM   50  H   UNL     1       5.296   5.447   0.388  1.00  0.00           H  
HETATM   51  H   UNL     1       3.672   2.411  -1.927  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3   15    1   32                                       
CONECT    3    2   33   34   35                                       
CONECT    4    9   16    5                                            
CONECT    5    4    6   17   17                                       
CONECT    6    7    7    5   24                                       
CONECT    7    8    6    6   36                                       
CONECT    8   19    9    9    7                                       
CONECT    9   18    8    8    4                                       
CONECT   10   20   18   19   19                                       
CONECT   11   12   23   37   38                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   40   41                                       
CONECT   14   24   24   25   42                                       
CONECT   15    2   16   43   44                                       
CONECT   16   15    4   45   46                                       
CONECT   17    5    5                                                 
CONECT   18   10    9                                                 
CONECT   19   10   10    8                                            
CONECT   20   21   10   47                                            
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   11   21   48                                            
CONECT   24    6   14   14   28                                       
CONECT   25   14   26   26   49                                       
CONECT   26   25   25   27   50                                       
CONECT   27   28   28   26                                            
CONECT   28   24   27   27   51                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
