COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.087   0.380   0.713  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.977   2.158  -0.357  1.00  0.00           C  
HETATM    3  C   UNL     1       0.817  -0.091  -0.443  1.00  0.00           C  
HETATM    4  C   UNL     1       2.175   1.682  -1.299  1.00  0.00           C  
HETATM    5  C   UNL     1       1.884  -0.536   0.314  1.00  0.00           C  
HETATM    6  C   UNL     1       5.415   1.881   0.353  1.00  0.00           C  
HETATM    7  C   UNL     1       0.508  -2.751  -1.603  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.633  -1.731  -1.607  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.974  -2.466  -1.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.503  -0.816  -0.389  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.596   0.161  -0.393  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.825  -0.173   0.155  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.026  -1.378   0.688  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.194  -1.693   1.209  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.204  -0.850   1.228  1.00  0.00           N  
HETATM   16  N   UNL     1      -6.011   1.406   0.638  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.419   2.576  -0.018  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.869   0.743   0.157  1.00  0.00           C  
HETATM   19  C   UNL     1       0.965   1.025  -1.245  1.00  0.00           C  
HETATM   20  C   UNL     1       3.261   1.233  -0.544  1.00  0.00           C  
HETATM   21  C   UNL     1       3.098   0.126   0.269  1.00  0.00           C  
HETATM   22  S   UNL     1       4.424  -0.461   1.278  1.00  0.00           S  
HETATM   23  O   UNL     1       4.503  -1.837   0.934  1.00  0.00           O  
HETATM   24  C   UNL     1       5.850   0.423   0.576  1.00  0.00           C  
HETATM   25  O   UNL     1       4.422   1.915  -0.660  1.00  0.00           O  
HETATM   26  H   UNL     1      -3.815   2.189  -1.434  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.263   2.803   0.154  1.00  0.00           H  
HETATM   28  H   UNL     1       2.285   2.551  -1.930  1.00  0.00           H  
HETATM   29  H   UNL     1       1.770  -1.406   0.944  1.00  0.00           H  
HETATM   30  H   UNL     1       5.006   2.285   1.279  1.00  0.00           H  
HETATM   31  H   UNL     1       6.275   2.475   0.044  1.00  0.00           H  
HETATM   32  H   UNL     1       0.416  -3.403  -2.471  1.00  0.00           H  
HETATM   33  H   UNL     1       1.463  -2.227  -1.642  1.00  0.00           H  
HETATM   34  H   UNL     1       0.458  -3.348  -0.693  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.583  -1.134  -2.518  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.024  -3.064  -0.642  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.787  -1.740  -1.556  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.066  -3.119  -2.421  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.553  -1.413   0.522  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.459   1.040  -0.779  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.327  -2.677   1.634  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.921   1.358   0.972  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.417   3.432   0.656  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.969   2.813  -0.929  1.00  0.00           H  
HETATM   45  H   UNL     1       0.131   1.381  -1.832  1.00  0.00           H  
HETATM   46  H   UNL     1       6.136  -0.028  -0.374  1.00  0.00           H  
HETATM   47  H   UNL     1       6.688   0.388   1.272  1.00  0.00           H  
CONECT    1   15   16   18   18                                       
CONECT    2   17   18   26   27                                       
CONECT    3   10   19   19    5                                       
CONECT    4   19   20   20   28                                       
CONECT    5   21   21    3   29                                       
CONECT    6   24   25   30   31                                       
CONECT    7    8   32   33   34                                       
CONECT    8    7    9   10   35                                       
CONECT    9    8   36   37   38                                       
CONECT   10    8   11    3   39                                       
CONECT   11   12   10   40                                            
CONECT   12   11   13   13   18                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   41                                       
CONECT   15   14   14    1                                            
CONECT   16    1   17   42                                            
CONECT   17   16    2   43   44                                       
CONECT   18    2   12    1    1                                       
CONECT   19    3    3    4   45                                       
CONECT   20    4    4   21   25                                       
CONECT   21   20    5    5   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22    6   46   47                                       
CONECT   25    6   20                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
