COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.973  -2.329  -0.136  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.355   1.260   0.162  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.978   0.502   1.337  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.957   0.741  -1.147  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.497   0.681   1.306  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.477   0.912  -1.107  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.025   0.168   0.035  1.00  0.00           N  
HETATM    8  C   UNL     1       3.449   1.393   0.209  1.00  0.00           C  
HETATM    9  C   UNL     1       3.175   0.033   0.078  1.00  0.00           C  
HETATM   10  C   UNL     1       2.115   2.094   0.266  1.00  0.00           C  
HETATM   11  N   UNL     1       1.094   1.046   0.153  1.00  0.00           N  
HETATM   12  C   UNL     1       1.709  -0.145   0.045  1.00  0.00           C  
HETATM   13  N   UNL     1       4.998  -3.201  -0.212  1.00  0.00           N  
HETATM   14  C   UNL     1       4.752   1.839   0.265  1.00  0.00           C  
HETATM   15  C   UNL     1       1.988   3.078  -0.900  1.00  0.00           C  
HETATM   16  C   UNL     1       5.552  -0.414   0.062  1.00  0.00           C  
HETATM   17  C   UNL     1       5.801   0.939   0.192  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.007  -0.441  -1.268  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.556  -0.560   1.216  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.537  -0.413  -1.278  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.070  -1.197  -0.077  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.026  -0.589   1.226  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.494   0.195   0.025  1.00  0.00           C  
HETATM   24  O   UNL     1       1.141  -1.214  -0.061  1.00  0.00           O  
HETATM   25  C   UNL     1       4.242  -0.881   0.003  1.00  0.00           C  
HETATM   26  O   UNL     1       2.827  -2.733  -0.186  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.565   2.325   0.263  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.734  -0.557   1.258  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.584   0.897   2.274  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.549   1.306  -1.985  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.712  -0.315  -1.266  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.945   0.130   2.133  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.741   1.739   1.399  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.721   1.969  -1.001  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.910   0.530  -2.031  1.00  0.00           H  
HETATM   36  H   UNL     1       2.009   2.622   1.214  1.00  0.00           H  
HETATM   37  H   UNL     1       4.822  -4.150  -0.308  1.00  0.00           H  
HETATM   38  H   UNL     1       5.912  -2.879  -0.172  1.00  0.00           H  
HETATM   39  H   UNL     1       4.955   2.895   0.366  1.00  0.00           H  
HETATM   40  H   UNL     1       2.093   2.540  -1.842  1.00  0.00           H  
HETATM   41  H   UNL     1       1.011   3.559  -0.863  1.00  0.00           H  
HETATM   42  H   UNL     1       2.769   3.834  -0.823  1.00  0.00           H  
HETATM   43  H   UNL     1       6.375  -1.111   0.005  1.00  0.00           H  
HETATM   44  H   UNL     1       6.820   1.296   0.236  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.663  -1.474  -1.326  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.628   0.117  -2.124  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.900   0.473   1.275  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.936  -1.118   2.072  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.881   0.620  -1.219  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.903  -0.866  -2.199  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.725  -2.229  -0.135  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.159  -1.176  -0.084  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.661  -0.135   2.147  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.682  -1.621   1.168  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.838   1.228   0.083  1.00  0.00           H  
CONECT    1   13   26   26   25                                       
CONECT    2    4    3   11   27                                       
CONECT    3    5    2   28   29                                       
CONECT    4    6    2   30   31                                       
CONECT    5    7    3   32   33                                       
CONECT    6    7    4   34   35                                       
CONECT    7   23    6    5                                            
CONECT    8    9   10   14   14                                       
CONECT    9   12   25   25    8                                       
CONECT   10   11    8   15   36                                       
CONECT   11    2   12   10                                            
CONECT   12   24   24   11    9                                       
CONECT   13    1   37   38                                            
CONECT   14    8    8   17   39                                       
CONECT   15   10   40   41   42                                       
CONECT   16   25   17   17   43                                       
CONECT   17   16   16   14   44                                       
CONECT   18   20   23   45   46                                       
CONECT   19   21   22   47   48                                       
CONECT   20   21   18   49   50                                       
CONECT   21   19   20   51   52                                       
CONECT   22   19   23   53   54                                       
CONECT   23   22   18    7   55                                       
CONECT   24   12   12                                                 
CONECT   25    1    9    9   16                                       
CONECT   26    1    1                                                 
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
