COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.492   0.892   0.869  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.810   0.469  -1.130  1.00  0.00           C  
HETATM    3  C   UNL     1       5.112   2.111   0.829  1.00  0.00           C  
HETATM    4  C   UNL     1       4.457   3.218   0.308  1.00  0.00           C  
HETATM    5  C   UNL     1       3.172   3.111  -0.178  1.00  0.00           C  
HETATM    6  C   UNL     1       2.523   1.881  -0.147  1.00  0.00           C  
HETATM    7  C   UNL     1       3.194   0.761   0.377  1.00  0.00           C  
HETATM    8  C   UNL     1       2.490  -0.532   0.400  1.00  0.00           C  
HETATM    9  C   UNL     1       1.170  -0.573  -0.109  1.00  0.00           C  
HETATM   10  C   UNL     1       0.597   0.547  -0.595  1.00  0.00           C  
HETATM   11  I   UNL     1       0.105  -2.377  -0.109  1.00  0.00           I  
HETATM   12  N   UNL     1       1.240   1.740  -0.626  1.00  0.00           N  
HETATM   13  O   UNL     1       0.573   2.871  -1.157  1.00  0.00           O  
HETATM   14  O   UNL     1       3.026  -1.534   0.843  1.00  0.00           O  
HETATM   15  H   UNL     1       5.008   0.035   1.276  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.915   1.146  -1.978  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.019  -0.551  -1.453  1.00  0.00           H  
HETATM   18  H   UNL     1       6.119   2.212   1.207  1.00  0.00           H  
HETATM   19  H   UNL     1       4.960   4.173   0.284  1.00  0.00           H  
HETATM   20  H   UNL     1       2.670   3.980  -0.578  1.00  0.00           H  
HETATM   21  H   UNL     1       1.100   3.681  -1.142  1.00  0.00           H  
HETATM   22  C   UNL     1      -1.796   0.869  -0.032  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.224   0.789  -0.575  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.211   1.189   0.523  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.639   1.109  -0.020  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.626   1.509   1.079  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.054   1.429   0.535  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.692   0.191   0.815  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.587   1.888   0.291  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.329   1.467  -1.422  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.434  -0.231  -0.898  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.106   0.511   1.370  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.002   2.209   0.846  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.744   1.787  -0.867  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.849   0.089  -0.343  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.521   0.831   1.926  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.417   2.529   1.401  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.264   0.409   0.213  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.757   1.714   1.318  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.159   2.107  -0.312  1.00  0.00           H  
CONECT    1    7    7    3   15                                       
CONECT    2   10   16   17   22                                       
CONECT    3    4    4    1   18                                       
CONECT    4    5    3    3   19                                       
CONECT    5    6    6    4   20                                       
CONECT    6   12    5    5    7                                       
CONECT    7    6    8    1    1                                       
CONECT    8    9    7   14   14                                       
CONECT    9   10   10   11    8                                       
CONECT   10    2   12    9    9                                       
CONECT   11    9                                                      
CONECT   12   13   10    6                                            
CONECT   13   12   21                                                 
CONECT   14    8    8                                                 
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21   13                                                      
CONECT   22    2   23   28   29                                       
CONECT   23   22   24   30   31                                       
CONECT   24   23   25   32   33                                       
CONECT   25   24   26   34   35                                       
CONECT   26   25   27   36   37                                       
CONECT   27   26   38   39   40                                       
CONECT   28   22                                                      
CONECT   29   22                                                      
CONECT   30   23                                                      
CONECT   31   23                                                      
CONECT   32   24                                                      
CONECT   33   24                                                      
CONECT   34   25                                                      
CONECT   35   25                                                      
CONECT   36   26                                                      
CONECT   37   26                                                      
CONECT   38   27                                                      
CONECT   39   27                                                      
CONECT   40   27                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
