COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.785   1.291  -0.060  1.00  0.00           C  
HETATM    2  C   UNL     1       0.325   2.134  -0.083  1.00  0.00           C  
HETATM    3  C   UNL     1       0.128   3.517  -0.083  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.079   4.037  -0.056  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.168   3.279  -0.028  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.511   3.571   0.003  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.246   2.410   0.024  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.419   1.347   0.008  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.050   1.875  -0.027  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.794  -0.007   0.021  1.00  0.00           N  
HETATM   11  C   UNL     1       3.986   1.637   0.608  1.00  0.00           C  
HETATM   12  C   UNL     1       4.259   0.517  -0.168  1.00  0.00           C  
HETATM   13  C   UNL     1       3.250  -0.072  -0.921  1.00  0.00           C  
HETATM   14  C   UNL     1       1.973   0.447  -0.891  1.00  0.00           C  
HETATM   15  C   UNL     1       1.697   1.570  -0.113  1.00  0.00           C  
HETATM   16  C   UNL     1       2.712   2.163   0.637  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.098  -0.345   0.053  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.950   0.522   0.071  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.162  -3.480   0.111  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.142  -4.415   0.088  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.877  -4.043   0.057  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.526  -2.774   0.040  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.493  -1.769   0.066  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.845  -2.133   0.100  1.00  0.00           C  
HETATM   25  C   UNL     1       5.824  -0.528   1.151  1.00  0.00           C  
HETATM   26  C   UNL     1       7.179  -1.236   1.165  1.00  0.00           C  
HETATM   27  N   UNL     1       7.139  -2.396   0.267  1.00  0.00           N  
HETATM   28  C   UNL     1       6.865  -1.883  -1.081  1.00  0.00           C  
HETATM   29  C   UNL     1       5.510  -1.174  -1.095  1.00  0.00           C  
HETATM   30  N   UNL     1       5.550  -0.014  -0.196  1.00  0.00           N  
HETATM   31  C   UNL     1       8.498  -2.955   0.237  1.00  0.00           C  
HETATM   32  H   UNL     1      -0.667   0.217  -0.065  1.00  0.00           H  
HETATM   33  H   UNL     1       0.986   4.173  -0.105  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.885   4.466   0.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.324   2.357   0.051  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.114  -0.699   0.006  1.00  0.00           H  
HETATM   37  H   UNL     1       4.772   2.096   1.189  1.00  0.00           H  
HETATM   38  H   UNL     1       3.465  -0.942  -1.524  1.00  0.00           H  
HETATM   39  H   UNL     1       1.189  -0.013  -1.473  1.00  0.00           H  
HETATM   40  H   UNL     1       2.499   3.033   1.241  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.193  -3.798   0.137  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.387  -5.467   0.097  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.479  -2.509   0.014  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.621  -1.382   0.117  1.00  0.00           H  
HETATM   45  H   UNL     1       5.841   0.301   1.859  1.00  0.00           H  
HETATM   46  H   UNL     1       5.043  -1.232   1.437  1.00  0.00           H  
HETATM   47  H   UNL     1       7.404  -1.569   2.179  1.00  0.00           H  
HETATM   48  H   UNL     1       7.954  -0.545   0.831  1.00  0.00           H  
HETATM   49  H   UNL     1       7.646  -1.178  -1.366  1.00  0.00           H  
HETATM   50  H   UNL     1       6.848  -2.711  -1.789  1.00  0.00           H  
HETATM   51  H   UNL     1       5.285  -0.841  -2.108  1.00  0.00           H  
HETATM   52  H   UNL     1       4.736  -1.865  -0.761  1.00  0.00           H  
HETATM   53  H   UNL     1       9.207  -2.172  -0.031  1.00  0.00           H  
HETATM   54  H   UNL     1       8.749  -3.351   1.221  1.00  0.00           H  
HETATM   55  H   UNL     1       8.545  -3.756  -0.500  1.00  0.00           H  
CONECT    1    2    2    9   32                                       
CONECT    2    1    1    3   15                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    9    9                                       
CONECT    6    5    7   34                                            
CONECT    7    6    8    8   35                                       
CONECT    8    7    7    9   10                                       
CONECT    9    1    5    5    8                                       
CONECT   10    8   17   36                                            
CONECT   11   12   16   16   37                                       
CONECT   12   11   13   13   30                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   15   39                                       
CONECT   15    2   14   14   16                                       
CONECT   16   11   11   15   40                                       
CONECT   17   10   18   18   23                                       
CONECT   18   17   17                                                 
CONECT   19   20   24   24   41                                       
CONECT   20   19   21   21   42                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   23   43                                       
CONECT   23   17   22   22   24                                       
CONECT   24   19   19   23   44                                       
CONECT   25   26   30   45   46                                       
CONECT   26   25   27   47   48                                       
CONECT   27   26   28   31                                            
CONECT   28   27   29   49   50                                       
CONECT   29   28   30   51   52                                       
CONECT   30   12   25   29                                            
CONECT   31   27   53   54   55                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
