COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.714  -1.581  -1.934  1.00  0.00           C  
HETATM    2  C   UNL     1       3.402  -1.765   1.024  1.00  0.00           C  
HETATM    3  N   UNL     1       2.843  -0.644   0.246  1.00  0.00           N  
HETATM    4  C   UNL     1       1.457  -0.970  -0.120  1.00  0.00           C  
HETATM    5  C   UNL     1       1.136  -2.352   0.486  1.00  0.00           C  
HETATM    6  C   UNL     1       2.171  -2.477   1.638  1.00  0.00           C  
HETATM    7  C   UNL     1       3.495   0.490  -0.078  1.00  0.00           C  
HETATM    8  C   UNL     1       4.877   0.746   0.467  1.00  0.00           C  
HETATM    9  O   UNL     1       2.970   1.304  -0.807  1.00  0.00           O  
HETATM   10  C   UNL     1       5.051   2.243   0.731  1.00  0.00           C  
HETATM   11  C   UNL     1       0.521   0.069   0.440  1.00  0.00           C  
HETATM   12  O   UNL     1       2.459  -3.848   1.922  1.00  0.00           O  
HETATM   13  C   UNL     1       4.086   2.683   1.833  1.00  0.00           C  
HETATM   14  C   UNL     1       6.490   2.519   1.173  1.00  0.00           C  
HETATM   15  C   UNL     1       5.905   0.290  -0.535  1.00  0.00           C  
HETATM   16  C   UNL     1       6.859  -0.654  -0.347  1.00  0.00           C  
HETATM   17  C   UNL     1       7.545  -0.697  -1.582  1.00  0.00           C  
HETATM   18  N   UNL     1       6.969   0.178  -2.353  1.00  0.00           N  
HETATM   19  O   UNL     1       6.053   0.733  -1.792  1.00  0.00           O  
HETATM   20  O   UNL     1       0.962   0.998   1.086  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.801  -0.031   0.226  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.680   0.945   0.753  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.988   0.725   0.463  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.770  -0.035   1.324  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.098  -0.261   1.033  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.657   0.275  -0.128  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.869   1.038  -0.991  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.543   1.265  -0.691  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.082   0.034  -0.444  1.00  0.00           C  
HETATM   30  S   UNL     1      -7.724  -0.518  -1.990  1.00  0.00           S  
HETATM   31  C   UNL     1      -9.311  -0.475  -1.357  1.00  0.00           C  
HETATM   32  N   UNL     1      -9.295  -0.083  -0.127  1.00  0.00           N  
HETATM   33  C   UNL     1      -8.123   0.194   0.401  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.956   0.660   1.825  1.00  0.00           C  
HETATM   35  H   UNL     1       8.347  -2.518  -2.354  1.00  0.00           H  
HETATM   36  H   UNL     1       9.344  -1.076  -2.667  1.00  0.00           H  
HETATM   37  H   UNL     1       9.296  -1.789  -1.036  1.00  0.00           H  
HETATM   38  H   UNL     1       3.948  -2.446   0.371  1.00  0.00           H  
HETATM   39  H   UNL     1       4.056  -1.390   1.812  1.00  0.00           H  
HETATM   40  H   UNL     1       1.360  -1.009  -1.205  1.00  0.00           H  
HETATM   41  H   UNL     1       0.119  -2.375   0.877  1.00  0.00           H  
HETATM   42  H   UNL     1       1.283  -3.141  -0.252  1.00  0.00           H  
HETATM   43  H   UNL     1       1.824  -1.959   2.533  1.00  0.00           H  
HETATM   44  H   UNL     1       5.008   0.196   1.399  1.00  0.00           H  
HETATM   45  H   UNL     1       4.839   2.800  -0.182  1.00  0.00           H  
HETATM   46  H   UNL     1       3.100  -3.975   2.635  1.00  0.00           H  
HETATM   47  H   UNL     1       4.238   2.064   2.718  1.00  0.00           H  
HETATM   48  H   UNL     1       4.272   3.727   2.084  1.00  0.00           H  
HETATM   49  H   UNL     1       3.060   2.571   1.484  1.00  0.00           H  
HETATM   50  H   UNL     1       7.178   2.206   0.387  1.00  0.00           H  
HETATM   51  H   UNL     1       6.614   3.586   1.361  1.00  0.00           H  
HETATM   52  H   UNL     1       6.703   1.962   2.085  1.00  0.00           H  
HETATM   53  H   UNL     1       7.050  -1.238   0.542  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.153  -0.773  -0.290  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.337  -0.450   2.222  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.706  -0.852   1.702  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.299   1.454  -1.890  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.932   1.855  -1.358  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.202  -0.737  -1.908  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.735  -0.194   2.464  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.136   1.376   1.879  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.877   1.137   2.161  1.00  0.00           H  
CONECT    1   17   35   36   37                                       
CONECT    2    6    3   38   39                                       
CONECT    3    4    2    7                                            
CONECT    4    5   11    3   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5   12    2   43                                       
CONECT    7    3    9    9    8                                       
CONECT    8    7   10   15   44                                       
CONECT    9    7    7                                                 
CONECT   10    8   14   13   45                                       
CONECT   11   21   20   20    4                                       
CONECT   12    6   46                                                 
CONECT   13   10   47   48   49                                       
CONECT   14   10   50   51   52                                       
CONECT   15    8   16   16   19                                       
CONECT   16   15   15   17   53                                       
CONECT   17   16   18   18    1                                       
CONECT   18   19   17   17                                            
CONECT   19   15   18                                                 
CONECT   20   11   11                                                 
CONECT   21   22   11   54                                            
CONECT   22   23   21                                                 
CONECT   23   24   24   28   22                                       
CONECT   24   25   23   23   55                                       
CONECT   25   26   26   24   56                                       
CONECT   26   29   25   25   27                                       
CONECT   27   26   28   28   57                                       
CONECT   28   27   27   23   58                                       
CONECT   29   33   33   30   26                                       
CONECT   30   31   29                                                 
CONECT   31   32   32   30   59                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   29   29                                       
CONECT   34   33   60   61   62                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   21                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   31                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
