COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.508  -2.141   1.537  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.191   1.770  -1.344  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.972   0.886  -0.538  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.064   0.027  -0.080  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.314   0.216  -0.552  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.413  -0.648  -0.091  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.136  -1.705   0.885  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.092  -2.533   1.350  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.663  -0.448  -0.573  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.779  -1.346  -0.087  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.429  -2.424   0.916  1.00  0.00           C  
HETATM   12  O   UNL     1     -10.283  -3.175   1.342  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.723   0.697  -0.067  1.00  0.00           O  
HETATM   14  P   UNL     1      -1.635   1.721  -0.666  1.00  0.00           P  
HETATM   15  O   UNL     1      -1.473   1.467  -2.248  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.085   3.111  -0.434  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.218   1.487   0.062  1.00  0.00           O  
HETATM   18  C   UNL     1       0.925   2.311  -0.175  1.00  0.00           C  
HETATM   19  C   UNL     1       2.097   1.815   0.674  1.00  0.00           C  
HETATM   20  C   UNL     1       3.306   2.764   0.529  1.00  0.00           C  
HETATM   21  O   UNL     1       3.364   3.674   1.630  1.00  0.00           O  
HETATM   22  C   UNL     1       4.529   1.820   0.542  1.00  0.00           C  
HETATM   23  O   UNL     1       5.379   2.117   1.651  1.00  0.00           O  
HETATM   24  O   UNL     1       2.568   0.540   0.185  1.00  0.00           O  
HETATM   25  C   UNL     1       3.914   0.411   0.693  1.00  0.00           C  
HETATM   26  N   UNL     1       4.667  -0.563  -0.100  1.00  0.00           N  
HETATM   27  C   UNL     1       5.766  -1.272   0.315  1.00  0.00           C  
HETATM   28  N   UNL     1       6.470  -1.337   1.441  1.00  0.00           N  
HETATM   29  C   UNL     1       4.405  -0.931  -1.386  1.00  0.00           C  
HETATM   30  N   UNL     1       5.273  -1.817  -1.780  1.00  0.00           N  
HETATM   31  C   UNL     1       6.144  -2.074  -0.774  1.00  0.00           C  
HETATM   32  C   UNL     1       7.266  -2.908  -0.627  1.00  0.00           C  
HETATM   33  N   UNL     1       7.905  -2.909   0.539  1.00  0.00           N  
HETATM   34  N   UNL     1       7.694  -3.710  -1.670  1.00  0.00           N  
HETATM   35  H   UNL     1       8.059  -2.170   2.466  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.869  -0.758   0.636  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.508   1.001  -1.268  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.125  -1.826   1.245  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.829  -3.295   2.069  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.858   0.337  -1.288  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.546  -0.713   0.358  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.218  -1.833  -0.958  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.180   0.573  -2.475  1.00  0.00           H  
HETATM   44  H   UNL     1       1.195   2.262  -1.230  1.00  0.00           H  
HETATM   45  H   UNL     1       0.692   3.341   0.093  1.00  0.00           H  
HETATM   46  H   UNL     1       1.800   1.736   1.720  1.00  0.00           H  
HETATM   47  H   UNL     1       3.253   3.310  -0.413  1.00  0.00           H  
HETATM   48  H   UNL     1       4.105   4.293   1.589  1.00  0.00           H  
HETATM   49  H   UNL     1       5.082   1.898  -0.394  1.00  0.00           H  
HETATM   50  H   UNL     1       5.745   3.012   1.638  1.00  0.00           H  
HETATM   51  H   UNL     1       3.896   0.116   1.742  1.00  0.00           H  
HETATM   52  H   UNL     1       3.597  -0.545  -1.989  1.00  0.00           H  
HETATM   53  H   UNL     1       7.219  -3.700  -2.516  1.00  0.00           H  
HETATM   54  H   UNL     1       8.469  -4.281  -1.556  1.00  0.00           H  
CONECT    1   33   28   28   35                                       
CONECT    2    3    3                                                 
CONECT    3    2    2    4   13                                       
CONECT    4    5    5    3   36                                       
CONECT    5    6    4    4   37                                       
CONECT    6    7    5    9    9                                       
CONECT    7    8    8    6   38                                       
CONECT    8    7    7   11   39                                       
CONECT    9    6    6   10   40                                       
CONECT   10   11    9   41   42                                       
CONECT   11    8   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13    3   14                                                 
CONECT   14   16   16   13   17                                       
CONECT   14   15                                                      
CONECT   15   14   43                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   44   45                                       
CONECT   19   24   18   20   46                                       
CONECT   20   19   22   21   47                                       
CONECT   21   20   48                                                 
CONECT   22   25   23   20   49                                       
CONECT   23   22   50                                                 
CONECT   24   25   19                                                 
CONECT   25   24   26   22   51                                       
CONECT   26   27   29   25                                            
CONECT   27   31   31   28   26                                       
CONECT   28    1    1   27                                            
CONECT   29   30   30   26   52                                       
CONECT   30   31   29   29                                            
CONECT   31   32   30   27   27                                       
CONECT   32   34   33   33   31                                       
CONECT   33   32   32    1                                            
CONECT   34   32   53   54                                            
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   29                                                      
CONECT   53   34                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
