COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.023  -1.762  -1.222  1.00  0.00           S  
HETATM    2  N   UNL     1       7.270   1.610  -0.474  1.00  0.00           N  
HETATM    3  C   UNL     1       7.059   0.308  -0.533  1.00  0.00           C  
HETATM    4  N   UNL     1       5.859  -0.220  -0.409  1.00  0.00           N  
HETATM    5  C   UNL     1       4.796   0.554  -0.215  1.00  0.00           C  
HETATM    6  C   UNL     1       4.968   1.946  -0.144  1.00  0.00           C  
HETATM    7  C   UNL     1       6.268   2.462  -0.283  1.00  0.00           C  
HETATM    8  N   UNL     1       6.500   3.825  -0.222  1.00  0.00           N  
HETATM    9  N   UNL     1       3.744   2.491   0.055  1.00  0.00           N  
HETATM   10  C   UNL     1       2.853   1.544   0.110  1.00  0.00           C  
HETATM   11  N   UNL     1       3.452   0.330  -0.051  1.00  0.00           N  
HETATM   12  C   UNL     1       2.784  -0.973  -0.051  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.809   2.123  -0.304  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.422   2.244  -1.602  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.302   3.225   0.379  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.700   3.099   1.696  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.608   1.875   2.333  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.117   0.775   1.654  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.717   0.896   0.337  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.251  -1.627  -2.618  1.00  0.00           O  
HETATM   21  C   UNL     1       2.770  -1.570   1.374  1.00  0.00           C  
HETATM   22  O   UNL     1       3.829  -2.515   1.532  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.188  -0.304  -0.404  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.660  -0.317  -0.330  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.363  -2.960  -0.538  1.00  0.00           O  
HETATM   26  C   UNL     1       1.396  -2.270   1.475  1.00  0.00           C  
HETATM   27  O   UNL     1       1.564  -3.672   1.696  1.00  0.00           O  
HETATM   28  C   UNL     1       0.743  -2.014   0.098  1.00  0.00           C  
HETATM   29  O   UNL     1       1.391  -0.825  -0.402  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.760  -1.775   0.258  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.378  -1.653  -1.064  1.00  0.00           N  
HETATM   32  H   UNL     1       7.902  -0.349  -0.689  1.00  0.00           H  
HETATM   33  H   UNL     1       7.402   4.168  -0.319  1.00  0.00           H  
HETATM   34  H   UNL     1       5.760   4.437  -0.082  1.00  0.00           H  
HETATM   35  H   UNL     1       1.794   1.697   0.261  1.00  0.00           H  
HETATM   36  H   UNL     1       3.279  -1.653  -0.743  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.130   2.080  -2.240  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.374   4.181  -0.118  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.083   3.957   2.228  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.919   1.778   3.362  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.045  -0.180   2.154  1.00  0.00           H  
HETATM   42  H   UNL     1       2.850  -0.779   2.120  1.00  0.00           H  
HETATM   43  H   UNL     1       3.867  -2.921   2.409  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.581  -1.214   0.050  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.347  -0.367   0.713  1.00  0.00           H  
HETATM   46  H   UNL     1       0.798  -1.826   2.270  1.00  0.00           H  
HETATM   47  H   UNL     1       2.024  -3.888   2.519  1.00  0.00           H  
HETATM   48  H   UNL     1       0.923  -2.856  -0.570  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.206  -2.614   0.792  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.924  -0.857   0.822  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.824  -1.509  -1.847  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.501  -0.254  -1.447  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.267   0.593  -0.784  1.00  0.00           H  
CONECT    1   25   25   20   20                                       
CONECT    1   24   31                                                 
CONECT    2    7    3    3                                            
CONECT    3    2    2   32    4                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7   33   34                                            
CONECT    9    6   10   10                                            
CONECT   10    9    9   35   11                                       
CONECT   11    5   10   12                                            
CONECT   12   11   29   36   21                                       
CONECT   13   19   14   15   15                                       
CONECT   14   13   37                                                 
CONECT   15   13   13   16   38                                       
CONECT   16   15   17   17   39                                       
CONECT   17   16   16   18   40                                       
CONECT   18   17   41   19   19                                       
CONECT   19   13   18   18   23                                       
CONECT   20    1    1                                                 
CONECT   21   12   42   22   26                                       
CONECT   22   21   43                                                 
CONECT   23   19   44   24   52                                       
CONECT   24    1   23   45   53                                       
CONECT   25    1    1                                                 
CONECT   26   21   28   46   27                                       
CONECT   27   26   47                                                 
CONECT   28   26   30   29   48                                       
CONECT   29   12   28                                                 
CONECT   30   28   31   49   50                                       
CONECT   31   30    1   51                                            
CONECT   32    3                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
