COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.102  -2.714  -0.288  1.00  0.00           C  
HETATM    2  C   UNL     1       4.108  -1.594  -0.206  1.00  0.00           C  
HETATM    3  C   UNL     1       4.368  -0.987  -1.600  1.00  0.00           C  
HETATM    4  C   UNL     1       4.580   0.492  -1.355  1.00  0.00           C  
HETATM    5  C   UNL     1       4.100   0.832  -0.105  1.00  0.00           C  
HETATM    6  C   UNL     1       4.190   2.142   0.336  1.00  0.00           C  
HETATM    7  C   UNL     1       4.759   3.108  -0.470  1.00  0.00           C  
HETATM    8  C   UNL     1       5.240   2.768  -1.721  1.00  0.00           C  
HETATM    9  C   UNL     1       5.150   1.463  -2.162  1.00  0.00           C  
HETATM   10  C   UNL     1       3.531  -0.395   0.576  1.00  0.00           C  
HETATM   11  C   UNL     1       1.340   0.173   1.477  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.134   0.178   1.393  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.775  -0.407   0.298  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.150  -0.401   0.224  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.901   0.186   1.237  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.265   0.770   2.329  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.891   0.762   2.413  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.899   0.273  -0.042  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.900   0.262  -1.433  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.016  -0.742  -1.731  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.358   0.724  -1.457  1.00  0.00           C  
HETATM   22  N   UNL     1       2.069  -0.390   0.493  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.293   0.191   1.158  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.240   0.173  -0.128  1.00  0.00           N  
HETATM   25  O   UNL     1       2.376  -2.804  -1.249  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.237   0.439  -1.048  1.00  0.00           O  
HETATM   27  O   UNL     1       1.896   0.678   2.433  1.00  0.00           O  
HETATM   28  O   UNL     1       3.018  -3.614   0.704  1.00  0.00           O  
HETATM   29  H   UNL     1       5.036  -1.942   0.248  1.00  0.00           H  
HETATM   30  H   UNL     1       5.259  -1.428  -2.046  1.00  0.00           H  
HETATM   31  H   UNL     1       3.505  -1.144  -2.248  1.00  0.00           H  
HETATM   32  H   UNL     1       3.814   2.408   1.313  1.00  0.00           H  
HETATM   33  H   UNL     1       4.827   4.129  -0.123  1.00  0.00           H  
HETATM   34  H   UNL     1       5.684   3.523  -2.352  1.00  0.00           H  
HETATM   35  H   UNL     1       5.525   1.198  -3.139  1.00  0.00           H  
HETATM   36  H   UNL     1       3.852  -0.433   1.617  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.193  -0.862  -0.489  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.646  -0.853  -0.623  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.851   1.225   3.114  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.399   1.211   3.263  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.262   0.567  -2.262  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.111  -1.098  -2.757  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.258  -1.469  -0.957  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.827   0.961  -0.502  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.680   1.332  -2.303  1.00  0.00           H  
HETATM   46  H   UNL     1       1.625  -0.793  -0.270  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.824   0.135   1.968  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.769   0.041   0.675  1.00  0.00           H  
HETATM   49  H   UNL     1       2.360  -4.317   0.605  1.00  0.00           H  
CONECT    1   25   25    2   28                                       
CONECT    2    3    1   10   29                                       
CONECT    3    2    4   30   31                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   10                                       
CONECT    6    7    7    5   32                                       
CONECT    7    6    6    8   33                                       
CONECT    8    7    9    9   34                                       
CONECT    9    8    8    4   35                                       
CONECT   10    5   22    2   36                                       
CONECT   11   22   12   27   27                                       
CONECT   12   13   13   11   17                                       
CONECT   13   12   12   14   37                                       
CONECT   14   13   15   15   38                                       
CONECT   15   14   14   16   23                                       
CONECT   16   17   17   15   39                                       
CONECT   17   16   16   12   40                                       
CONECT   18   23   24   26   26                                       
CONECT   19   24   20   21   41                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   19   44   45                                       
CONECT   22   10   11   46                                            
CONECT   23   15   18   47                                            
CONECT   24   19   18   48                                            
CONECT   25    1    1                                                 
CONECT   26   18   18                                                 
CONECT   27   11   11                                                 
CONECT   28    1   49                                                 
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
