COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.090   2.078   0.376  1.00  0.00           C  
HETATM    2  C   UNL     1       5.159   1.094   0.036  1.00  0.00           C  
HETATM    3  C   UNL     1       5.573  -0.246  -0.059  1.00  0.00           C  
HETATM    4  C   UNL     1       6.898  -0.578   0.186  1.00  0.00           C  
HETATM    5  C   UNL     1       7.799   0.410   0.521  1.00  0.00           C  
HETATM    6  C   UNL     1       7.390   1.733   0.614  1.00  0.00           C  
HETATM    7  N   UNL     1       4.449  -0.969  -0.405  1.00  0.00           N  
HETATM    8  C   UNL     1       3.417  -0.087  -0.510  1.00  0.00           C  
HETATM    9  N   UNL     1       3.832   1.119  -0.252  1.00  0.00           N  
HETATM   10  S   UNL     1       1.762  -0.516  -0.932  1.00  0.00           S  
HETATM   11  C   UNL     1       1.003  -0.853   0.680  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.440  -1.241   0.486  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.757  -2.510   0.316  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.006  -2.900   0.142  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.037  -1.984   0.130  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.745  -0.633   0.306  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.415  -0.264   0.492  1.00  0.00           C  
HETATM   18  O   UNL     1       1.241   0.697  -1.457  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.732   0.299   0.301  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.067  -0.171   0.108  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.034   1.014   0.132  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.464   0.510  -0.074  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.367   1.618  -0.051  1.00  0.00           O  
HETATM   24  C   UNL     1      -9.737   1.255  -0.236  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.045   1.183   0.693  1.00  0.00           C  
HETATM   26  H   UNL     1       5.783   3.111   0.447  1.00  0.00           H  
HETATM   27  H   UNL     1       7.221  -1.606   0.115  1.00  0.00           H  
HETATM   28  H   UNL     1       8.831   0.153   0.712  1.00  0.00           H  
HETATM   29  H   UNL     1       8.107   2.497   0.877  1.00  0.00           H  
HETATM   30  H   UNL     1       4.402  -1.927  -0.548  1.00  0.00           H  
HETATM   31  H   UNL     1       1.535  -1.669   1.169  1.00  0.00           H  
HETATM   32  H   UNL     1       1.058   0.041   1.302  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.223  -3.949   0.006  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.057  -2.309  -0.013  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.139  -0.679  -0.854  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.326  -0.868   0.906  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.963   1.522   1.094  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.775   1.710  -0.666  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.536   0.003  -1.036  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.723  -0.186   0.725  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.855   0.762  -1.201  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.042   0.574   0.559  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.357   2.150  -0.206  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.849   1.645  -0.275  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.867   1.704   1.184  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.152   1.247   1.314  1.00  0.00           H  
CONECT    1    2    2    6   26                                       
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   27                                       
CONECT    5    4    6    6   28                                       
CONECT    6    1    5    5   29                                       
CONECT    7    3    8   30                                            
CONECT    8    7    9    9   10                                       
CONECT    9    2    8    8                                            
CONECT   10    8   11   18   18                                       
CONECT   11   10   12   31   32                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   33                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17   19                                       
CONECT   17   12   16   16   25                                       
CONECT   18   10   10                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   35   36                                       
CONECT   21   20   22   37   38                                       
CONECT   22   21   23   39   40                                       
CONECT   23   22   24                                                 
CONECT   24   23   41   42   43                                       
CONECT   25   17   44   45   46                                       
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
