COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.805   0.336   0.082  1.00  0.00           C  
HETATM    2  N   UNL     1       0.472   0.380  -0.288  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.316  -0.775  -0.203  1.00  0.00           C  
HETATM    4  C   UNL     1       0.277  -2.027  -0.256  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.503  -3.166  -0.171  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.875  -3.060  -0.034  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.475  -1.816   0.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.700  -0.669  -0.060  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.305   0.592  -0.006  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.262   0.765  -1.108  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.841   2.181  -1.060  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.494   2.396   0.239  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.537   2.224   1.341  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.958   0.808   1.293  1.00  0.00           C  
HETATM   15  C   UNL     1       2.635   1.462  -0.121  1.00  0.00           C  
HETATM   16  C   UNL     1       3.995   1.380   0.272  1.00  0.00           C  
HETATM   17  C   UNL     1       4.452   0.177   0.845  1.00  0.00           C  
HETATM   18  C   UNL     1       3.576  -0.852   0.999  1.00  0.00           C  
HETATM   19  N   UNL     1       2.306  -0.755   0.630  1.00  0.00           N  
HETATM   20  C   UNL     1       2.154   2.646  -0.694  1.00  0.00           C  
HETATM   21  C   UNL     1       3.000   3.701  -0.866  1.00  0.00           C  
HETATM   22  C   UNL     1       4.336   3.620  -0.481  1.00  0.00           C  
HETATM   23  C   UNL     1       4.837   2.484   0.080  1.00  0.00           C  
HETATM   24  N   UNL     1       0.132  -4.502  -0.228  1.00  0.00           N1+
HETATM   25  O   UNL     1       1.340  -4.596  -0.349  1.00  0.00           O1-
HETATM   26  O   UNL     1      -0.553  -5.506  -0.154  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.129   3.720   0.295  1.00  0.00           C  
HETATM   28  H   UNL     1       0.083   1.209  -0.606  1.00  0.00           H  
HETATM   29  H   UNL     1       1.348  -2.113  -0.363  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.479  -3.953   0.031  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.546  -1.737   0.130  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.752   0.612  -2.059  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.068   0.038  -1.007  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.038   2.906  -1.189  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.572   2.301  -1.860  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.731   2.950   1.240  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.047   2.376   2.292  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.761   0.082   1.422  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.227   0.687   2.092  1.00  0.00           H  
HETATM   40  H   UNL     1       5.481   0.075   1.156  1.00  0.00           H  
HETATM   41  H   UNL     1       3.924  -1.774   1.442  1.00  0.00           H  
HETATM   42  H   UNL     1       1.121   2.723  -0.998  1.00  0.00           H  
HETATM   43  H   UNL     1       2.628   4.614  -1.308  1.00  0.00           H  
HETATM   44  H   UNL     1       4.985   4.471  -0.629  1.00  0.00           H  
HETATM   45  H   UNL     1       5.875   2.434   0.375  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.880   3.796  -0.491  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.604   3.853   1.267  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.373   4.492   0.151  1.00  0.00           H  
CONECT    1   19    2   15   15                                       
CONECT    2    1    3   28                                            
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   29                                       
CONECT    5    6    6    4   24                                       
CONECT    6    7    5    5   30                                       
CONECT    7    8    8    6   31                                       
CONECT    8    9    7    7    3                                       
CONECT    9   10   14    8                                            
CONECT   10   11    9   32   33                                       
CONECT   11   12   10   34   35                                       
CONECT   12   27   11   13                                            
CONECT   13   12   14   36   37                                       
CONECT   14   13    9   38   39                                       
CONECT   15    1    1   16   20                                       
CONECT   16   17   17   15   23                                       
CONECT   17   18   16   16   40                                       
CONECT   18   19   19   17   41                                       
CONECT   19   18   18    1                                            
CONECT   20   15   21   21   42                                       
CONECT   21   20   20   22   43                                       
CONECT   22   23   23   21   44                                       
CONECT   23   16   22   22   45                                       
CONECT   24    5   26   26   25                                       
CONECT   25   24                                                      
CONECT   26   24   24                                                 
CONECT   27   12   46   47   48                                       
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
