COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.699   2.084  -0.460  1.00  0.00           C  
HETATM    2  C   UNL     1       9.792   1.561   0.475  1.00  0.00           C  
HETATM    3  N   UNL     1       9.370   1.746   1.870  1.00  0.00           N  
HETATM    4  C   UNL     1       8.116   1.029   2.138  1.00  0.00           C  
HETATM    5  C   UNL     1       7.023   1.552   1.204  1.00  0.00           C  
HETATM    6  N   UNL     1       7.445   1.367  -0.192  1.00  0.00           N  
HETATM    7  C   UNL     1       6.388   1.789  -1.122  1.00  0.00           C  
HETATM    8  C   UNL     1       5.202   0.870  -0.984  1.00  0.00           C  
HETATM    9  C   UNL     1       5.120  -0.271  -1.763  1.00  0.00           C  
HETATM   10  C   UNL     1       4.037  -1.117  -1.642  1.00  0.00           C  
HETATM   11  C   UNL     1       4.202   1.168  -0.076  1.00  0.00           C  
HETATM   12  C   UNL     1       3.113   0.330   0.056  1.00  0.00           C  
HETATM   13  C   UNL     1       3.022  -0.819  -0.731  1.00  0.00           C  
HETATM   14  C   UNL     1       1.858  -1.721  -0.596  1.00  0.00           C  
HETATM   15  O   UNL     1       1.784  -2.723  -1.279  1.00  0.00           O  
HETATM   16  N   UNL     1       0.880  -1.431   0.285  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.267  -2.229   0.344  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.503  -1.652   0.599  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.170  -3.600   0.142  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.303  -4.390   0.200  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.534  -3.820   0.459  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.766  -4.685   0.522  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.638  -2.448   0.657  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.885  -1.871   0.914  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.239  -0.682   0.296  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.314  -0.001   0.543  1.00  0.00           N  
HETATM   27  S   UNL     1      -3.294   0.141  -0.941  1.00  0.00           S  
HETATM   28  C   UNL     1      -4.513   1.411  -1.030  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.486   1.125  -0.148  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.673   1.995   0.034  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.663   1.661   0.963  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.751   2.506   1.095  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.824   3.643   0.311  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.875   3.932  -0.558  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.818   3.162  -0.715  1.00  0.00           C  
HETATM   36  H   UNL     1       8.552   3.150  -0.286  1.00  0.00           H  
HETATM   37  H   UNL     1       8.997   1.922  -1.495  1.00  0.00           H  
HETATM   38  H   UNL     1       9.958   0.501   0.283  1.00  0.00           H  
HETATM   39  H   UNL     1      10.716   2.111   0.298  1.00  0.00           H  
HETATM   40  H   UNL     1       9.281   2.726   2.094  1.00  0.00           H  
HETATM   41  H   UNL     1       8.263  -0.037   1.965  1.00  0.00           H  
HETATM   42  H   UNL     1       7.818   1.192   3.174  1.00  0.00           H  
HETATM   43  H   UNL     1       6.099   1.002   1.380  1.00  0.00           H  
HETATM   44  H   UNL     1       6.857   2.612   1.396  1.00  0.00           H  
HETATM   45  H   UNL     1       6.086   2.810  -0.889  1.00  0.00           H  
HETATM   46  H   UNL     1       6.765   1.745  -2.144  1.00  0.00           H  
HETATM   47  H   UNL     1       5.906  -0.500  -2.467  1.00  0.00           H  
HETATM   48  H   UNL     1       3.974  -2.007  -2.250  1.00  0.00           H  
HETATM   49  H   UNL     1       4.274   2.057   0.533  1.00  0.00           H  
HETATM   50  H   UNL     1       2.333   0.564   0.765  1.00  0.00           H  
HETATM   51  H   UNL     1       0.971  -0.668   0.877  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.581  -0.586   0.752  1.00  0.00           H  
HETATM   53  H   UNL     1       0.791  -4.049  -0.062  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.225  -5.456   0.043  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.915  -5.032   1.544  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.633  -4.106   0.204  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.641  -5.544  -0.138  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.502  -2.303   1.525  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.480   2.275  -1.677  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.580   0.766   1.562  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.535   2.280   1.802  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.672   4.304   0.411  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.061   3.432  -1.436  1.00  0.00           H  
CONECT    1    2    6   36   37                                       
CONECT    2    3    1   38   39                                       
CONECT    3    4    2   40                                            
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    1    7                                            
CONECT    7    6    8   45   46                                       
CONECT    8    9    7   11   11                                       
CONECT    9   10   10    8   47                                       
CONECT   10    9    9   13   48                                       
CONECT   11    8    8   12   49                                       
CONECT   12   13   13   11   50                                       
CONECT   13   10   14   12   12                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   51                                            
CONECT   17   18   16   19   19                                       
CONECT   18   23   23   17   52                                       
CONECT   19   17   17   20   53                                       
CONECT   20   21   21   19   54                                       
CONECT   21   23   22   20   20                                       
CONECT   22   21   55   56   57                                       
CONECT   23   24   18   18   21                                       
CONECT   24   25   23   58                                            
CONECT   25   26   26   27   24                                       
CONECT   26   29   25   25                                            
CONECT   27   28   25                                                 
CONECT   28   29   29   27   59                                       
CONECT   29   30   28   28   26                                       
CONECT   30   31   31   35   29                                       
CONECT   31   32   30   30   60                                       
CONECT   32   33   33   31   61                                       
CONECT   33   32   32   34   62                                       
CONECT   34   33   35   35                                            
CONECT   35   34   34   30   63                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   28                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
