COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.101  -1.896  -0.208  1.00  0.00           C  
HETATM    2  N   UNL     1       3.113  -2.773  -1.387  1.00  0.00           N  
HETATM    3  C   UNL     1       2.873  -0.472  -0.643  1.00  0.00           C  
HETATM    4  O   UNL     1       3.091  -0.146  -1.791  1.00  0.00           O  
HETATM    5  N   UNL     1       2.427   0.440   0.243  1.00  0.00           N  
HETATM    6  C   UNL     1       1.166   2.478   0.734  1.00  0.00           C  
HETATM    7  C   UNL     1       2.205   1.825  -0.181  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.162   1.790   0.557  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.486   0.703   1.350  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.702   0.069   1.192  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.604   0.525   0.233  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.273   1.620  -0.562  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.056   2.250  -0.393  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.912  -0.153   0.060  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.814   0.304  -0.899  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.030  -0.330  -1.057  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.354  -1.417  -0.264  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.462  -1.874   0.689  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.241  -1.251   0.851  1.00  0.00           C  
HETATM   20  C   UNL     1       4.444  -1.999   0.517  1.00  0.00           C  
HETATM   21  C   UNL     1       4.620  -3.416   1.068  1.00  0.00           C  
HETATM   22  C   UNL     1       3.500   2.590  -0.096  1.00  0.00           C  
HETATM   23  N   UNL     1       4.565   2.002   0.301  1.00  0.00           N  
HETATM   24  H   UNL     1       3.530   3.634  -0.371  1.00  0.00           H  
HETATM   25  H   UNL     1       2.301  -2.203   0.465  1.00  0.00           H  
HETATM   26  H   UNL     1       3.847  -2.509  -2.027  1.00  0.00           H  
HETATM   27  H   UNL     1       3.200  -3.741  -1.117  1.00  0.00           H  
HETATM   28  H   UNL     1       5.252  -1.778  -0.181  1.00  0.00           H  
HETATM   29  H   UNL     1       4.469  -1.284   1.339  1.00  0.00           H  
HETATM   30  H   UNL     1       2.252   0.180   1.160  1.00  0.00           H  
HETATM   31  H   UNL     1       1.842   1.837  -1.209  1.00  0.00           H  
HETATM   32  H   UNL     1       1.488   2.387   1.771  1.00  0.00           H  
HETATM   33  H   UNL     1       1.067   3.532   0.476  1.00  0.00           H  
HETATM   34  H   UNL     1       0.214   0.350   2.092  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.800   3.102  -1.006  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.954  -0.780   1.811  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.968   1.978  -1.307  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.563   1.153  -1.518  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.544  -1.612   1.592  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.730   0.023  -1.800  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.306  -1.910  -0.391  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.720  -2.723   1.306  1.00  0.00           H  
HETATM   43  H   UNL     1       3.812  -3.637   1.766  1.00  0.00           H  
HETATM   44  H   UNL     1       4.595  -4.131   0.245  1.00  0.00           H  
HETATM   45  H   UNL     1       5.577  -3.489   1.584  1.00  0.00           H  
HETATM   46  H   UNL     1       5.399   2.495   0.356  1.00  0.00           H  
CONECT    1    2    3   20   25                                       
CONECT    2    1   26   27                                            
CONECT    3    1    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    7   30                                            
CONECT    6    7    8   32   33                                       
CONECT    7    5    6   22   31                                       
CONECT    8    6    9   13   13                                       
CONECT    9    8   10   10   34                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   37                                       
CONECT   13    8    8   12   35                                       
CONECT   14   11   15   19   19                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   41                                       
CONECT   18   17   17   19   42                                       
CONECT   19   14   14   18   39                                       
CONECT   20    1   21   28   29                                       
CONECT   21   20   43   44   45                                       
CONECT   22    7   23   23   24                                       
CONECT   23   22   22   46                                            
CONECT   24   22                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28   20                                                      
CONECT   29   20                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   19                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
