COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.637  -1.635   0.609  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.662  -1.074   0.452  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.432  -0.367   0.253  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.199  -0.939   0.250  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.895  -2.408   0.490  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.681  -2.824  -0.333  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.539  -1.861  -0.197  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.757  -0.487  -0.054  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.165  -0.012   0.016  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.605   1.276  -0.141  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.782   2.361  -0.367  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.108   3.012  -1.643  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.854   3.317   0.746  1.00  0.00           C  
HETATM   14  S   UNL     1      -4.304   1.361  -0.030  1.00  0.00           S  
HETATM   15  C   UNL     1       0.768  -2.309  -0.213  1.00  0.00           C  
HETATM   16  N   UNL     1       1.752  -1.425  -0.112  1.00  0.00           N  
HETATM   17  C   UNL     1       1.508  -0.128   0.001  1.00  0.00           C  
HETATM   18  N   UNL     1       0.269   0.347   0.030  1.00  0.00           N  
HETATM   19  N   UNL     1       2.573   0.755   0.091  1.00  0.00           N  
HETATM   20  C   UNL     1       3.883   0.287  -0.048  1.00  0.00           C  
HETATM   21  C   UNL     1       4.155  -0.774  -0.904  1.00  0.00           C  
HETATM   22  C   UNL     1       5.449  -1.236  -1.043  1.00  0.00           C  
HETATM   23  C   UNL     1       6.476  -0.646  -0.330  1.00  0.00           C  
HETATM   24  C   UNL     1       6.210   0.414   0.526  1.00  0.00           C  
HETATM   25  O   UNL     1       7.221   0.993   1.226  1.00  0.00           O  
HETATM   26  C   UNL     1       4.913   0.884   0.663  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.687  -2.567   1.548  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.756  -3.010   0.196  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.352  -3.810  -0.005  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.969  -2.882  -1.383  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.142   3.357  -1.621  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.445   3.864  -1.796  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.979   2.300  -2.458  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.603   2.810   1.677  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.149   4.130   0.573  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.864   3.721   0.813  1.00  0.00           H  
HETATM   37  H   UNL     1       0.986  -3.363  -0.307  1.00  0.00           H  
HETATM   38  H   UNL     1       2.409   1.697   0.251  1.00  0.00           H  
HETATM   39  H   UNL     1       3.354  -1.237  -1.462  1.00  0.00           H  
HETATM   40  H   UNL     1       5.659  -2.060  -1.708  1.00  0.00           H  
HETATM   41  H   UNL     1       7.487  -1.010  -0.440  1.00  0.00           H  
HETATM   42  H   UNL     1       7.646   1.729   0.766  1.00  0.00           H  
HETATM   43  H   UNL     1       4.705   1.711   1.326  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    4    4    2   14                                       
CONECT    4    5    3    3    9                                       
CONECT    5    6    4   27   28                                       
CONECT    6    5    7   29   30                                       
CONECT    7    6   15   15    8                                       
CONECT    8    7    9   18   18                                       
CONECT    9    4    8   10   10                                       
CONECT   10    9    9   14   11                                       
CONECT   11   10   13   12                                            
CONECT   12   11   31   32   33                                       
CONECT   13   11   34   35   36                                       
CONECT   14    3   10                                                 
CONECT   15    7    7   16   37                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   19                                       
CONECT   18    8    8   17                                            
CONECT   19   17   20   38                                            
CONECT   20   19   26   26   21                                       
CONECT   21   20   22   22   39                                       
CONECT   22   21   21   23   40                                       
CONECT   23   24   24   22   41                                       
CONECT   24   26   25   23   23                                       
CONECT   25   24   42                                                 
CONECT   26   20   20   24   43                                       
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
