COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.303   1.071   1.616  1.00  0.00           C  
HETATM    2  C   UNL     1       5.505   0.688  -0.268  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.923   1.097   1.541  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.298   1.113   0.309  1.00  0.00           C  
HETATM    5  C   UNL     1       0.798  -3.031  -0.029  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.793   1.142   0.227  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.265  -0.269   0.196  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.423  -1.862   0.093  1.00  0.00           C  
HETATM    9  C   UNL     1       0.081  -1.833   0.012  1.00  0.00           C  
HETATM   10  C   UNL     1       2.161  -2.995  -0.097  1.00  0.00           C  
HETATM   11  C   UNL     1       4.225  -0.106  -0.203  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.937  -0.490   0.124  1.00  0.00           N  
HETATM   13  N   UNL     1       2.791  -1.781  -0.129  1.00  0.00           N  
HETATM   14  C   UNL     1      -8.058   1.054   0.458  1.00  0.00           C  
HETATM   15  N   UNL     1       4.140  -1.416  -0.198  1.00  0.00           N  
HETATM   16  C   UNL     1       5.946   1.065   1.150  1.00  0.00           C  
HETATM   17  C   UNL     1       7.202   1.937   1.069  1.00  0.00           C  
HETATM   18  O   UNL     1       6.927   3.095   0.279  1.00  0.00           O  
HETATM   19  C   UNL     1       6.555   2.806  -1.070  1.00  0.00           C  
HETATM   20  C   UNL     1       5.273   1.969  -1.076  1.00  0.00           C  
HETATM   21  C   UNL     1       2.947   0.430  -0.139  1.00  0.00           C  
HETATM   22  C   UNL     1       2.049  -0.628  -0.093  1.00  0.00           C  
HETATM   23  N   UNL     1       0.712  -0.680  -0.020  1.00  0.00           N  
HETATM   24  O   UNL     1       2.877  -4.142  -0.132  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.034  -1.206   0.236  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.053   1.101  -0.850  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.433   1.069  -0.775  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.256   1.056  -2.037  1.00  0.00           C  
HETATM   29  H   UNL     1      -7.792   1.060   2.579  1.00  0.00           H  
HETATM   30  H   UNL     1       6.281   0.090  -0.745  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.333   1.106   2.446  1.00  0.00           H  
HETATM   32  H   UNL     1       0.278  -3.978  -0.002  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.489   1.664  -0.680  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.392   1.661   1.097  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.825  -2.381  -0.777  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.136   1.030   0.517  1.00  0.00           H  
HETATM   37  H   UNL     1       5.149   1.620   1.644  1.00  0.00           H  
HETATM   38  H   UNL     1       6.166   0.160   1.716  1.00  0.00           H  
HETATM   39  H   UNL     1       7.496   2.244   2.073  1.00  0.00           H  
HETATM   40  H   UNL     1       8.011   1.368   0.612  1.00  0.00           H  
HETATM   41  H   UNL     1       6.382   3.738  -1.608  1.00  0.00           H  
HETATM   42  H   UNL     1       7.355   2.248  -1.556  1.00  0.00           H  
HETATM   43  H   UNL     1       5.012   1.709  -2.102  1.00  0.00           H  
HETATM   44  H   UNL     1       4.462   2.541  -0.627  1.00  0.00           H  
HETATM   45  H   UNL     1       2.695   1.480  -0.127  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.564   1.112  -1.813  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.430   0.025  -2.346  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.211   1.547  -1.853  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.721   1.586  -2.825  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.728  -2.384   1.000  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.322   0.259   0.091  1.00  0.00           H  
HETATM   52  H   UNL     1       2.338  -4.944  -0.105  1.00  0.00           H  
CONECT    1   14   14    3   29                                       
CONECT    2   20   16   11   30                                       
CONECT    3    4    4    1   31                                       
CONECT    4   26    6    3    3                                       
CONECT    5    9   10   10   32                                       
CONECT    6    7    4   33   34                                       
CONECT    7   25   25   12    6                                       
CONECT    8   12    9   35   50                                       
CONECT    9   23   23    8    5                                       
CONECT   10   13    5    5   24                                       
CONECT   11    2   21   15   15                                       
CONECT   12    7    8   51                                            
CONECT   13   22   15   10                                            
CONECT   14   27    1    1   36                                       
CONECT   15   11   11   13                                            
CONECT   16   17    2   37   38                                       
CONECT   17   18   16   39   40                                       
CONECT   18   19   17                                                 
CONECT   19   20   18   41   42                                       
CONECT   20   19    2   43   44                                       
CONECT   21   11   22   22   45                                       
CONECT   22   21   21   23   13                                       
CONECT   23   22    9    9                                            
CONECT   24   10   52                                                 
CONECT   25    7    7                                                 
CONECT   26   27   27    4   46                                       
CONECT   27   28   26   26   14                                       
CONECT   28   27   47   48   49                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
