COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.441  -4.382   1.921  1.00  0.00           O  
HETATM    2  C   UNL     1       3.653  -4.330   0.730  1.00  0.00           C  
HETATM    3  C   UNL     1       3.106  -2.913   0.541  1.00  0.00           C  
HETATM    4  O   UNL     1       4.190  -2.010   0.317  1.00  0.00           O  
HETATM    5  C   UNL     1       3.874  -0.701   0.129  1.00  0.00           C  
HETATM    6  C   UNL     1       2.552  -0.297   0.160  1.00  0.00           C  
HETATM    7  C   UNL     1       4.883   0.235  -0.090  1.00  0.00           C  
HETATM    8  O   UNL     1       6.183  -0.163  -0.116  1.00  0.00           O  
HETATM    9  C   UNL     1       7.166   0.848  -0.345  1.00  0.00           C  
HETATM   10  C   UNL     1       8.559   0.216  -0.340  1.00  0.00           C  
HETATM   11  O   UNL     1       8.678  -0.684  -1.444  1.00  0.00           O  
HETATM   12  C   UNL     1       4.564   1.571  -0.281  1.00  0.00           C  
HETATM   13  C   UNL     1       3.247   1.979  -0.256  1.00  0.00           C  
HETATM   14  C   UNL     1       2.232   1.048  -0.032  1.00  0.00           C  
HETATM   15  C   UNL     1       0.819   1.484  -0.005  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.207   0.708   0.194  1.00  0.00           N  
HETATM   17  S   UNL     1       0.255   3.138  -0.229  1.00  0.00           S  
HETATM   18  C   UNL     1      -1.409   2.592  -0.029  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.637   3.464  -0.083  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.955   3.984   1.319  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.202   4.869   1.264  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.393   1.273   0.184  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.658   0.482   0.397  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.277  -0.108  -1.199  1.00  0.00           S  
HETATM   25  C   UNL     1      -4.717  -0.973  -0.668  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.479  -1.573  -1.571  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.006  -1.013   0.625  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.086  -1.657   1.062  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.382  -1.693   2.416  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.913  -2.294   0.142  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.574  -2.236  -1.206  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.369  -2.856  -2.158  1.00  0.00           N  
HETATM   33  H   UNL     1       4.820  -5.252   2.103  1.00  0.00           H  
HETATM   34  H   UNL     1       4.271  -4.597  -0.127  1.00  0.00           H  
HETATM   35  H   UNL     1       2.823  -5.031   0.812  1.00  0.00           H  
HETATM   36  H   UNL     1       2.434  -2.894  -0.316  1.00  0.00           H  
HETATM   37  H   UNL     1       2.562  -2.612   1.436  1.00  0.00           H  
HETATM   38  H   UNL     1       1.770  -1.021   0.333  1.00  0.00           H  
HETATM   39  H   UNL     1       6.984   1.320  -1.311  1.00  0.00           H  
HETATM   40  H   UNL     1       7.105   1.599   0.443  1.00  0.00           H  
HETATM   41  H   UNL     1       9.314   0.998  -0.426  1.00  0.00           H  
HETATM   42  H   UNL     1       8.707  -0.331   0.592  1.00  0.00           H  
HETATM   43  H   UNL     1       9.538  -1.122  -1.503  1.00  0.00           H  
HETATM   44  H   UNL     1       5.349   2.293  -0.450  1.00  0.00           H  
HETATM   45  H   UNL     1       3.001   3.020  -0.405  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.455   4.306  -0.751  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.480   2.881  -0.455  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.137   3.142   1.987  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.112   4.567   1.691  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.045   4.287   0.892  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.429   5.240   2.264  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.020   5.712   0.597  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.450  -0.371   1.043  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.410   1.117   0.866  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.800  -1.246   3.052  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.170  -2.164   2.728  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.796  -2.825   0.468  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.168  -3.334  -1.885  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.127  -2.811  -3.096  1.00  0.00           H  
CONECT    1    2   33                                                 
CONECT    2    3    1   34   35                                       
CONECT    3    4    2   36   37                                       
CONECT    4    5    3                                                 
CONECT    5    7    7    6    4                                       
CONECT    6   14   14    5   38                                       
CONECT    7   12    8    5    5                                       
CONECT    8    9    7                                                 
CONECT    9   10    8   39   40                                       
CONECT   10   11    9   41   42                                       
CONECT   11   10   43                                                 
CONECT   12   13   13    7   44                                       
CONECT   13   12   12   14   45                                       
CONECT   14   13   15    6    6                                       
CONECT   15   17   14   16   16                                       
CONECT   16   15   15   22                                            
CONECT   17   18   15                                                 
CONECT   18   19   17   22   22                                       
CONECT   19   18   20   46   47                                       
CONECT   20   19   21   48   49                                       
CONECT   21   20   50   51   52                                       
CONECT   22   18   18   16   23                                       
CONECT   23   22   24   53   54                                       
CONECT   24   25   23                                                 
CONECT   25   26   26   27   24                                       
CONECT   26   31   25   25                                            
CONECT   27   28   28   25                                            
CONECT   28   30   29   27   27                                       
CONECT   29   28   55   56                                            
CONECT   30   31   31   28   57                                       
CONECT   31   32   30   30   26                                       
CONECT   32   31   58   59                                            
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
