COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.069  -3.652  -1.434  1.00  0.00           C  
HETATM    2  C   UNL     1       1.920  -3.106  -0.013  1.00  0.00           C  
HETATM    3  O   UNL     1       2.955  -3.642   0.814  1.00  0.00           O  
HETATM    4  C   UNL     1       2.026  -1.603  -0.040  1.00  0.00           C  
HETATM    5  N   UNL     1       0.974  -0.743   0.057  1.00  0.00           N  
HETATM    6  C   UNL     1       1.479   0.531  -0.006  1.00  0.00           C  
HETATM    7  C   UNL     1       2.870   0.396  -0.144  1.00  0.00           C  
HETATM    8  N   UNL     1       3.137  -0.935  -0.152  1.00  0.00           N  
HETATM    9  C   UNL     1       3.655   1.551  -0.235  1.00  0.00           C  
HETATM   10  N   UNL     1       3.112   2.746  -0.192  1.00  0.00           N  
HETATM   11  C   UNL     1       1.800   2.929  -0.063  1.00  0.00           C  
HETATM   12  C   UNL     1       0.938   1.824   0.035  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.413   2.368   0.164  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.300   3.706   0.140  1.00  0.00           C  
HETATM   15  N   UNL     1       1.016   4.057   0.003  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.436  -1.112   0.202  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.984  -0.530   1.507  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.457  -0.915   1.658  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.254  -0.357   0.477  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.706  -0.938  -0.828  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.233  -0.553  -0.979  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.727  -0.741   0.628  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.512  -0.105  -0.442  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.119   0.386  -1.268  1.00  0.00           N  
HETATM   25  H   UNL     1       3.040  -3.364  -1.835  1.00  0.00           H  
HETATM   26  H   UNL     1       1.992  -4.740  -1.415  1.00  0.00           H  
HETATM   27  H   UNL     1       1.279  -3.243  -2.065  1.00  0.00           H  
HETATM   28  H   UNL     1       0.948  -3.394   0.387  1.00  0.00           H  
HETATM   29  H   UNL     1       3.849  -3.424   0.516  1.00  0.00           H  
HETATM   30  H   UNL     1       4.726   1.458  -0.341  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.328   1.802   0.262  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.123   4.401   0.214  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.528  -2.198   0.221  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.417  -0.928   2.348  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.892   0.556   1.487  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.549  -2.001   1.677  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.847  -0.501   2.587  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.162   0.729   0.457  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.798  -2.024  -0.809  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.273  -0.541  -1.670  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.141   0.532  -0.999  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.843  -0.968  -1.909  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.828  -1.824   0.558  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.093  -0.404   1.597  1.00  0.00           H  
HETATM   45  H   UNL     1       1.347   4.967  -0.039  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    1    4    3   28                                       
CONECT    3    2   29                                                 
CONECT    4    8    8    2    5                                       
CONECT    5    4    6   16                                            
CONECT    6    7    7    5   12                                       
CONECT    7    8    9    6    6                                       
CONECT    8    4    4    7                                            
CONECT    9    7   10   10   30                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   12   15                                       
CONECT   12    6   11   11   13                                       
CONECT   13   12   14   14   31                                       
CONECT   14   15   13   13   32                                       
CONECT   15   11   14   45                                            
CONECT   16   21    5   17   33                                       
CONECT   17   16   18   34   35                                       
CONECT   18   19   17   36   37                                       
CONECT   19   20   22   18   38                                       
CONECT   20   21   19   39   40                                       
CONECT   21   20   16   41   42                                       
CONECT   22   23   19   43   44                                       
CONECT   23   24   24   24   22                                       
CONECT   24   23   23   23                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    9                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   15                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
