COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.224   3.077   2.366  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.029   2.832   0.174  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.329   1.727   0.007  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.990  -0.844   0.145  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.181  -0.205   0.880  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.409   1.432  -0.334  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.988  -0.965   0.066  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.343  -0.202  -2.224  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.459  -0.944  -1.158  1.00  0.00           C  
HETATM   10  C   UNL     1       2.225  -2.701   0.763  1.00  0.00           C  
HETATM   11  C   UNL     1       3.529   1.715  -2.455  1.00  0.00           C  
HETATM   12  C   UNL     1       4.229   1.342  -1.147  1.00  0.00           C  
HETATM   13  C   UNL     1       5.033   0.057  -1.348  1.00  0.00           C  
HETATM   14  C   UNL     1       5.171   2.474  -0.732  1.00  0.00           C  
HETATM   15  C   UNL     1       2.285   0.179  -0.249  1.00  0.00           C  
HETATM   16  C   UNL     1       1.254  -0.036   0.828  1.00  0.00           C  
HETATM   17  C   UNL     1       0.461   1.230   1.026  1.00  0.00           C  
HETATM   18  C   UNL     1       0.523   1.916   2.229  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.998   3.508   1.306  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.857  -0.476   1.165  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.646  -0.310  -0.418  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.091  -0.012  -0.726  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.785  -0.676  -1.436  1.00  0.00           C  
HETATM   24  C   UNL     1       0.814  -2.383   0.340  1.00  0.00           C  
HETATM   25  C   UNL     1       2.318  -2.676   2.290  1.00  0.00           C  
HETATM   26  N   UNL     1       3.226   1.133  -0.100  1.00  0.00           N  
HETATM   27  N   UNL     1       0.352  -1.120   0.431  1.00  0.00           N  
HETATM   28  O   UNL     1       2.585  -3.999   0.285  1.00  0.00           O  
HETATM   29  O   UNL     1       0.094  -3.263  -0.081  1.00  0.00           O  
HETATM   30  O   UNL     1       2.268  -0.505  -1.250  1.00  0.00           O  
HETATM   31  H   UNL     1      -0.203   3.634   3.291  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.380   1.201  -0.935  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.856   0.082   1.673  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.230   1.567   0.732  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.770   2.111  -0.899  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.454   1.647  -0.557  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.033  -0.750  -0.156  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.761  -1.994  -0.213  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.808  -0.830   1.133  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.704   0.477  -2.788  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.116  -1.231  -2.503  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.388   0.013  -2.446  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.786  -1.230  -1.954  1.00  0.00           H  
HETATM   44  H   UNL     1       2.905  -1.958   0.345  1.00  0.00           H  
HETATM   45  H   UNL     1       4.275   1.872  -3.235  1.00  0.00           H  
HETATM   46  H   UNL     1       2.858   0.909  -2.751  1.00  0.00           H  
HETATM   47  H   UNL     1       2.956   2.632  -2.312  1.00  0.00           H  
HETATM   48  H   UNL     1       5.779   0.213  -2.127  1.00  0.00           H  
HETATM   49  H   UNL     1       5.532  -0.209  -0.416  1.00  0.00           H  
HETATM   50  H   UNL     1       4.362  -0.750  -1.644  1.00  0.00           H  
HETATM   51  H   UNL     1       4.597   3.390  -0.589  1.00  0.00           H  
HETATM   52  H   UNL     1       5.669   2.208   0.200  1.00  0.00           H  
HETATM   53  H   UNL     1       5.917   2.630  -1.511  1.00  0.00           H  
HETATM   54  H   UNL     1       1.752  -0.302   1.761  1.00  0.00           H  
HETATM   55  H   UNL     1       1.137   1.555   3.041  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.586   4.409   1.406  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.497  -0.402   2.181  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.151  -0.757  -2.449  1.00  0.00           H  
HETATM   59  H   UNL     1       3.358  -2.801   2.593  1.00  0.00           H  
HETATM   60  H   UNL     1       1.944  -1.722   2.661  1.00  0.00           H  
HETATM   61  H   UNL     1       1.719  -3.487   2.704  1.00  0.00           H  
HETATM   62  H   UNL     1       3.240   1.679   0.701  1.00  0.00           H  
HETATM   63  H   UNL     1       3.482  -4.270   0.521  1.00  0.00           H  
CONECT    1   18   19   19   31                                       
CONECT    2    3    3   19                                            
CONECT    3   17    2    2   32                                       
CONECT    4    9    9   20   27                                       
CONECT    5   21   20   20   33                                       
CONECT    6   22   34   35   36                                       
CONECT    7   22   37   38   39                                       
CONECT    8   22   40   41   42                                       
CONECT    9   23    4    4   43                                       
CONECT   10   25   24   28   44                                       
CONECT   11   12   45   46   47                                       
CONECT   12   11   14   13   26                                       
CONECT   13   12   48   49   50                                       
CONECT   14   12   51   52   53                                       
CONECT   15   26   16   30   30                                       
CONECT   16   15   27   17   54                                       
CONECT   17   16   18   18    3                                       
CONECT   18   17   17    1   55                                       
CONECT   19    1    1    2   56                                       
CONECT   20    5    5    4   57                                       
CONECT   21   22   23   23    5                                       
CONECT   22    6    7    8   21                                       
CONECT   23   21   21    9   58                                       
CONECT   24   27   29   29   10                                       
CONECT   25   10   59   60   61                                       
CONECT   26   12   15   62                                            
CONECT   27    4   16   24                                            
CONECT   28   10   63                                                 
CONECT   29   24   24                                                 
CONECT   30   15   15                                                 
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
