COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.929   6.373  -0.228  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.769   5.405   0.403  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.401   4.103   0.293  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.182   3.117   0.882  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.799   1.793   0.764  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.306   3.789  -0.378  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.909   2.538  -0.512  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.635   1.500   0.054  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.208   0.174  -0.092  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.941  -0.096  -0.584  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.185   0.894  -1.033  1.00  0.00           N  
HETATM   12  C   UNL     1       0.026   0.681  -1.509  1.00  0.00           C  
HETATM   13  C   UNL     1       0.560  -0.593  -1.562  1.00  0.00           C  
HETATM   14  C   UNL     1       1.946  -0.813  -2.111  1.00  0.00           C  
HETATM   15  N   UNL     1       2.926  -0.715  -1.021  1.00  0.00           N  
HETATM   16  C   UNL     1       2.971   0.647  -0.474  1.00  0.00           C  
HETATM   17  C   UNL     1       3.865   0.666   0.770  1.00  0.00           C  
HETATM   18  C   UNL     1       4.255  -1.155  -1.466  1.00  0.00           C  
HETATM   19  C   UNL     1       5.201  -1.211  -0.262  1.00  0.00           C  
HETATM   20  N   UNL     1       5.173   0.094   0.415  1.00  0.00           N  
HETATM   21  S   UNL     1       6.576   0.899   0.769  1.00  0.00           S  
HETATM   22  C   UNL     1       7.030   0.312   2.424  1.00  0.00           C  
HETATM   23  O   UNL     1       7.504   0.429  -0.200  1.00  0.00           O  
HETATM   24  O   UNL     1       6.194   2.267   0.813  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.188  -1.665  -1.106  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.466  -1.416  -0.600  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.305  -2.524  -0.094  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.497  -2.269   0.438  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.871  -3.782  -0.176  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.620  -4.772   0.276  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.125  -6.192   0.182  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.802  -4.520   0.810  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.246  -3.268   0.891  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.483  -3.008   1.445  1.00  0.00           N  
HETATM   35  H   UNL     1      -3.883   6.172  -1.298  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.336   7.371  -0.063  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.926   6.316   0.196  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.077   3.381   1.425  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.386   1.005   1.211  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.009   2.319  -1.067  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.799  -0.555   0.152  1.00  0.00           H  
HETATM   42  H   UNL     1       0.611   1.517  -1.865  1.00  0.00           H  
HETATM   43  H   UNL     1       2.005  -1.803  -2.565  1.00  0.00           H  
HETATM   44  H   UNL     1       2.164  -0.055  -2.864  1.00  0.00           H  
HETATM   45  H   UNL     1       3.378   1.327  -1.224  1.00  0.00           H  
HETATM   46  H   UNL     1       1.964   0.965  -0.204  1.00  0.00           H  
HETATM   47  H   UNL     1       3.994   1.692   1.113  1.00  0.00           H  
HETATM   48  H   UNL     1       3.407   0.069   1.559  1.00  0.00           H  
HETATM   49  H   UNL     1       4.179  -2.145  -1.915  1.00  0.00           H  
HETATM   50  H   UNL     1       4.643  -0.451  -2.202  1.00  0.00           H  
HETATM   51  H   UNL     1       4.871  -1.988   0.427  1.00  0.00           H  
HETATM   52  H   UNL     1       6.214  -1.428  -0.602  1.00  0.00           H  
HETATM   53  H   UNL     1       7.954   0.795   2.740  1.00  0.00           H  
HETATM   54  H   UNL     1       6.234   0.554   3.127  1.00  0.00           H  
HETATM   55  H   UNL     1       7.176  -0.768   2.398  1.00  0.00           H  
HETATM   56  H   UNL     1       0.208  -2.669  -1.138  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.568  -6.443   1.084  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.974  -6.867   0.079  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.474  -6.293  -0.687  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.806  -2.096   1.504  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.030  -3.739   1.775  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    3    1                                                 
CONECT    3    4    2    6    6                                       
CONECT    4    5    5    3   38                                       
CONECT    5    4    4    8   39                                       
CONECT    6    3    3    7                                            
CONECT    7    8    8    6   40                                       
CONECT    8    5    9    7    7                                       
CONECT    9    8   10   41                                            
CONECT   10   11    9   26   26                                       
CONECT   11   12   12   10                                            
CONECT   12   11   11   13   42                                       
CONECT   13   12   14   25   25                                       
CONECT   14   15   13   43   44                                       
CONECT   15   16   18   14                                            
CONECT   16   17   15   45   46                                       
CONECT   17   20   16   47   48                                       
CONECT   18   19   15   49   50                                       
CONECT   19   20   18   51   52                                       
CONECT   20   21   17   19                                            
CONECT   21   24   24   22   23                                       
CONECT   21   23   20                                                 
CONECT   22   21   53   54   55                                       
CONECT   23   21   21                                                 
CONECT   24   21   21                                                 
CONECT   25   13   13   26   56                                       
CONECT   26   10   10   25   27                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27   33                                            
CONECT   29   27   30   30                                            
CONECT   30   29   29   32   31                                       
CONECT   31   30   57   58   59                                       
CONECT   32   33   33   30                                            
CONECT   33   28   34   32   32                                       
CONECT   34   33   60   61                                            
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
