COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.907   1.150  -0.447  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.989   1.616   0.660  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.251   3.034   0.954  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.535   1.447   0.203  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.723  -0.916   0.878  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.467  -2.609   2.934  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.017  -0.889   1.362  1.00  0.00           C  
HETATM    8  C   UNL     1       0.529  -1.006  -1.637  1.00  0.00           C  
HETATM    9  C   UNL     1       0.129  -0.231  -0.568  1.00  0.00           C  
HETATM   10  C   UNL     1       5.571   0.536   1.536  1.00  0.00           C  
HETATM   11  C   UNL     1       7.336   0.455  -0.081  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.170  -2.632   2.454  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.389  -1.735   2.389  1.00  0.00           C  
HETATM   14  C   UNL     1       6.916   0.445   1.237  1.00  0.00           C  
HETATM   15  C   UNL     1       6.410   0.556  -1.104  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.800  -1.790   1.423  1.00  0.00           C  
HETATM   17  C   UNL     1       5.063   0.637  -0.812  1.00  0.00           C  
HETATM   18  C   UNL     1       1.891  -1.188  -1.851  1.00  0.00           C  
HETATM   19  C   UNL     1       4.639   0.632   0.511  1.00  0.00           C  
HETATM   20  C   UNL     1       2.342   0.131  -0.024  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.457  -1.681  -2.576  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.862  -1.702  -1.975  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.667  -0.213  -1.061  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.193  -0.297  -1.468  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.319   0.002  -0.246  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.554  -0.390  -2.295  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.454   4.129   1.181  1.00  0.00           N  
HETATM   28  N   UNL     1       2.759  -0.613  -1.038  1.00  0.00           N  
HETATM   29  N   UNL     1       1.053   0.321   0.209  1.00  0.00           N  
HETATM   30  N   UNL     1       3.276   0.724   0.810  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.816   1.847  -0.829  1.00  0.00           O  
HETATM   32  H   UNL     1      -1.334   2.122  -0.630  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.756  -3.267   3.740  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.739  -0.207   0.936  1.00  0.00           H  
HETATM   35  H   UNL     1       5.244   0.528   2.565  1.00  0.00           H  
HETATM   36  H   UNL     1       8.388   0.384  -0.312  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.447  -3.308   2.885  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.401  -1.714   2.767  1.00  0.00           H  
HETATM   39  H   UNL     1       7.642   0.366   2.033  1.00  0.00           H  
HETATM   40  H   UNL     1       6.741   0.564  -2.132  1.00  0.00           H  
HETATM   41  H   UNL     1       0.211  -1.814   1.042  1.00  0.00           H  
HETATM   42  H   UNL     1       4.340   0.716  -1.611  1.00  0.00           H  
HETATM   43  H   UNL     1       2.236  -1.794  -2.676  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.488  -1.133  -3.517  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.128  -2.703  -2.767  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.580  -2.015  -2.733  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.890  -2.392  -1.132  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.892  -0.990  -0.331  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.989   0.431  -2.253  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.359  -1.362  -2.747  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.602  -0.330  -2.001  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.334   0.397  -3.017  1.00  0.00           H  
HETATM   53  H   UNL     1       2.984   1.203   1.601  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.163   1.019   1.556  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.863   1.678   1.029  1.00  0.00           H  
CONECT    1   23   31   31    2                                       
CONECT    2    1    4    3   54                                       
CONECT    3    2   27   27   27                                       
CONECT    4   25    2   32   55                                       
CONECT    5    7    7   16   25                                       
CONECT    6   13   13   12   33                                       
CONECT    7   13    5    5   34                                       
CONECT    8   21   18   18    9                                       
CONECT    9    8   25   29   29                                       
CONECT   10   19   19   14   35                                       
CONECT   11   15   14   14   36                                       
CONECT   12    6   16   16   37                                       
CONECT   13    6    6    7   38                                       
CONECT   14   11   11   10   39                                       
CONECT   15   17   17   11   40                                       
CONECT   16   12   12    5   41                                       
CONECT   17   15   15   19   42                                       
CONECT   18    8    8   28   43                                       
CONECT   19   17   30   10   10                                       
CONECT   20   28   28   29   30                                       
CONECT   21   22    8   44   45                                       
CONECT   22   21   24   46   47                                       
CONECT   23   26   24    1   48                                       
CONECT   24   22   23   25   49                                       
CONECT   25    5   24    9    4                                       
CONECT   26   23   50   51   52                                       
CONECT   27    3    3    3                                            
CONECT   28   18   20   20                                            
CONECT   29    9    9   20                                            
CONECT   30   20   19   53                                            
CONECT   31    1    1                                                 
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   30                                                      
CONECT   54    2                                                      
CONECT   55    4                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
