COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.062  -1.148  -0.689  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.044   1.100  -0.278  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.570   1.302  -0.127  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.474  -0.761   0.333  1.00  0.00           C  
HETATM    5  C   UNL     1       5.580  -0.319   0.266  1.00  0.00           C  
HETATM    6  C   UNL     1       6.504  -1.488   0.614  1.00  0.00           C  
HETATM    7  C   UNL     1       8.445  -0.236  -0.339  1.00  0.00           C  
HETATM    8  C   UNL     1       6.115   0.403  -0.972  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.651   2.496  -0.351  1.00  0.00           O  
HETATM   10  N   UNL     1      -7.633   0.546   0.094  1.00  0.00           N  
HETATM   11  O   UNL     1      -8.356  -1.569   0.551  1.00  0.00           O  
HETATM   12  S   UNL     1      -5.734  -1.089   0.269  1.00  0.00           S  
HETATM   13  C   UNL     1      -5.285   0.591  -0.088  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.884   0.200  -0.357  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.599   0.688  -0.101  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.973  -1.992  -0.758  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.702  -1.514  -0.505  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.509  -0.171  -0.178  1.00  0.00           C  
HETATM   19  C   UNL     1       0.858   0.338   0.092  1.00  0.00           C  
HETATM   20  N   UNL     1       1.911  -0.457  -0.079  1.00  0.00           N  
HETATM   21  C   UNL     1       1.042   1.651   0.519  1.00  0.00           C  
HETATM   22  N   UNL     1       2.259   2.104   0.759  1.00  0.00           N  
HETATM   23  C   UNL     1       3.305   1.316   0.596  1.00  0.00           C  
HETATM   24  C   UNL     1       3.130   0.002   0.164  1.00  0.00           C  
HETATM   25  N   UNL     1       4.233  -0.826  -0.007  1.00  0.00           N  
HETATM   26  C   UNL     1       7.911  -0.958   0.900  1.00  0.00           C  
HETATM   27  N   UNL     1       9.796   0.273  -0.064  1.00  0.00           N  
HETATM   28  C   UNL     1       7.521   0.933  -0.686  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.053  -1.528  -0.887  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.906   2.168  -0.370  1.00  0.00           H  
HETATM   31  H   UNL     1       5.543   0.377   1.105  1.00  0.00           H  
HETATM   32  H   UNL     1       6.123  -2.002   1.497  1.00  0.00           H  
HETATM   33  H   UNL     1       6.541  -2.183  -0.224  1.00  0.00           H  
HETATM   34  H   UNL     1       8.482  -0.932  -1.177  1.00  0.00           H  
HETATM   35  H   UNL     1       6.152  -0.293  -1.810  1.00  0.00           H  
HETATM   36  H   UNL     1       5.456   1.235  -1.220  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.521   0.936   0.083  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.454   1.727   0.155  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.116  -3.033  -1.010  1.00  0.00           H  
HETATM   40  H   UNL     1       0.145  -2.182  -0.560  1.00  0.00           H  
HETATM   41  H   UNL     1       0.188   2.299   0.653  1.00  0.00           H  
HETATM   42  H   UNL     1       4.299   1.691   0.793  1.00  0.00           H  
HETATM   43  H   UNL     1       4.111  -1.740  -0.308  1.00  0.00           H  
HETATM   44  H   UNL     1       7.874  -0.262   1.738  1.00  0.00           H  
HETATM   45  H   UNL     1       8.569  -1.790   1.148  1.00  0.00           H  
HETATM   46  H   UNL     1      10.426  -0.481   0.168  1.00  0.00           H  
HETATM   47  H   UNL     1      10.146   0.809  -0.844  1.00  0.00           H  
HETATM   48  H   UNL     1       7.484   1.628   0.152  1.00  0.00           H  
HETATM   49  H   UNL     1       7.902   1.447  -1.569  1.00  0.00           H  
CONECT    1   14   14   16   29                                       
CONECT    2   14   13   13   30                                       
CONECT    3   13   10    9    9                                       
CONECT    4   11   11   12   10                                       
CONECT    5   25    6    8   31                                       
CONECT    6    5   26   32   33                                       
CONECT    7   26   28   27   34                                       
CONECT    8    5   28   35   36                                       
CONECT    9    3    3                                                 
CONECT   10    4    3   37                                            
CONECT   11    4    4                                                 
CONECT   12    4   13                                                 
CONECT   13   12    2    2    3                                       
CONECT   14   15    2    1    1                                       
CONECT   15   18   18   14   38                                       
CONECT   16   17   17    1   39                                       
CONECT   17   18   16   16   40                                       
CONECT   18   19   15   15   17                                       
CONECT   19   21   21   20   18                                       
CONECT   20   24   24   19                                            
CONECT   21   22   19   19   41                                       
CONECT   22   23   23   21                                            
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   20   20                                       
CONECT   25   24    5   43                                            
CONECT   26    6    7   44   45                                       
CONECT   27    7   46   47                                            
CONECT   28    8    7   48   49                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
