COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.733   0.715   1.272  1.00  0.00           C  
HETATM    2  C   UNL     1       6.384   0.400   0.093  1.00  0.00           C  
HETATM    3  C   UNL     1       5.752   0.602  -1.120  1.00  0.00           C  
HETATM    4  C   UNL     1       4.470   1.118  -1.155  1.00  0.00           C  
HETATM    5  C   UNL     1       4.451   1.231   1.237  1.00  0.00           C  
HETATM    6  C   UNL     1       3.819   1.432   0.024  1.00  0.00           C  
HETATM    7  C   UNL     1       2.422   1.994  -0.014  1.00  0.00           C  
HETATM    8  N   UNL     1       1.452   0.896   0.030  1.00  0.00           N  
HETATM    9  C   UNL     1       0.094   1.170   0.006  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.764   0.158   0.052  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.073   0.378   0.036  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.541   1.700  -0.029  1.00  0.00           C  
HETATM   13  S   UNL     1      -4.170   2.360  -0.067  1.00  0.00           S  
HETATM   14  C   UNL     1      -3.553   4.001  -0.144  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.229   4.005  -0.140  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.615   2.744  -0.076  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.300   2.424  -0.056  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.964  -0.683   0.084  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.489  -1.990   0.149  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.182  -2.372   0.172  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.243  -3.118   0.206  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.373  -4.214   0.260  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.144  -3.767   0.240  1.00  0.00           C  
HETATM   24  C   UNL     1       0.102  -4.613   0.282  1.00  0.00           C  
HETATM   25  C   UNL     1       0.754  -4.978  -1.053  1.00  0.00           C  
HETATM   26  C   UNL     1       1.419  -3.953  -0.132  1.00  0.00           C  
HETATM   27  H   UNL     1       6.225   0.554   2.220  1.00  0.00           H  
HETATM   28  H   UNL     1       7.385  -0.003   0.120  1.00  0.00           H  
HETATM   29  H   UNL     1       6.261   0.357  -2.041  1.00  0.00           H  
HETATM   30  H   UNL     1       3.977   1.276  -2.102  1.00  0.00           H  
HETATM   31  H   UNL     1       3.941   1.473   2.158  1.00  0.00           H  
HETATM   32  H   UNL     1       2.270   2.647   0.845  1.00  0.00           H  
HETATM   33  H   UNL     1       2.284   2.564  -0.933  1.00  0.00           H  
HETATM   34  H   UNL     1       1.761  -0.022   0.075  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.169   4.887  -0.189  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.657   4.920  -0.182  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.920  -0.514   0.072  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.326  -1.713   0.143  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.213  -3.157   0.209  1.00  0.00           H  
HETATM   40  H   UNL     1       0.140  -5.355   1.080  1.00  0.00           H  
HETATM   41  H   UNL     1       1.221  -5.960  -1.134  1.00  0.00           H  
HETATM   42  H   UNL     1       0.281  -4.606  -1.962  1.00  0.00           H  
HETATM   43  H   UNL     1       1.384  -2.907  -0.435  1.00  0.00           H  
HETATM   44  H   UNL     1       2.323  -4.261   0.393  1.00  0.00           H  
CONECT    1    2    2    5   27                                       
CONECT    2    3    1    1   28                                       
CONECT    3    4    4    2   29                                       
CONECT    4    3    3    6   30                                       
CONECT    5    6    6    1   31                                       
CONECT    6    4    7    5    5                                       
CONECT    7    6    8   32   33                                       
CONECT    8    9    7   34                                            
CONECT    9   10   10   17    8                                       
CONECT   10   11    9    9                                            
CONECT   11   18   12   12   10                                       
CONECT   12   13   11   11   16                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   35                                       
CONECT   15   14   14   16   36                                       
CONECT   16   12   15   17   17                                       
CONECT   17   16   16    9                                            
CONECT   18   19   11   37                                            
CONECT   19   21   18   20   20                                       
CONECT   20   23   19   19   38                                       
CONECT   21   22   19   39                                            
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   20                                       
CONECT   24   23   26   25   40                                       
CONECT   25   26   24   41   42                                       
CONECT   26   24   25   43   44                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
