COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.823   1.711  -2.288  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.330   2.337  -1.015  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.865   3.611  -1.036  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.330   4.186   0.132  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.262   3.489   1.324  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.729   2.216   1.352  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.266   1.633   0.180  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.730   0.339   0.204  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.542  -0.727   0.009  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.735  -0.586  -0.187  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.927  -2.062   0.044  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.674  -3.223  -0.145  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.158  -3.138  -0.394  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.046  -4.448  -0.102  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.679  -4.534   0.126  1.00  0.00           C  
HETATM   16  C   UNL     1       0.077  -3.399   0.315  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.536  -2.145   0.277  1.00  0.00           C  
HETATM   18  N   UNL     1       0.171  -1.002   0.457  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.398   0.164   0.416  1.00  0.00           C  
HETATM   20  C   UNL     1       0.460   1.387   0.620  1.00  0.00           C  
HETATM   21  N   UNL     1       1.851   0.978   0.831  1.00  0.00           N  
HETATM   22  C   UNL     1       2.463   0.789   2.034  1.00  0.00           C  
HETATM   23  N   UNL     1       3.700   0.428   1.852  1.00  0.00           N  
HETATM   24  C   UNL     1       3.960   0.362   0.524  1.00  0.00           C  
HETATM   25  C   UNL     1       2.774   0.708  -0.147  1.00  0.00           C  
HETATM   26  N   UNL     1       2.763   0.713  -1.476  1.00  0.00           N  
HETATM   27  C   UNL     1       3.844   0.396  -2.158  1.00  0.00           C  
HETATM   28  N   UNL     1       4.979   0.062  -1.572  1.00  0.00           N  
HETATM   29  C   UNL     1       5.088   0.037  -0.247  1.00  0.00           C  
HETATM   30  N   UNL     1       6.281  -0.317   0.358  1.00  0.00           N  
HETATM   31  H   UNL     1      -0.768   1.954  -2.418  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.942   0.629  -2.233  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.391   2.096  -3.135  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.918   4.158  -1.966  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.747   5.182   0.112  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.626   3.942   2.235  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.676   1.672   2.284  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.338  -2.949  -1.452  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.628  -4.078  -0.107  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.580  -2.325   0.198  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.622  -5.350  -0.248  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.203  -5.503   0.156  1.00  0.00           H  
HETATM   43  H   UNL     1       1.140  -3.478   0.492  1.00  0.00           H  
HETATM   44  H   UNL     1       0.398   2.025  -0.261  1.00  0.00           H  
HETATM   45  H   UNL     1       0.107   1.937   1.492  1.00  0.00           H  
HETATM   46  H   UNL     1       1.991   0.921   2.996  1.00  0.00           H  
HETATM   47  H   UNL     1       3.800   0.410  -3.237  1.00  0.00           H  
HETATM   48  H   UNL     1       6.345  -0.343   1.325  1.00  0.00           H  
HETATM   49  H   UNL     1       7.054  -0.539  -0.185  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    6    6   36                                       
CONECT    6    5    5    7   37                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9   19                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   17   17                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   38   39   40                                       
CONECT   14   12   12   15   41                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   17   43                                       
CONECT   17   11   11   16   18                                       
CONECT   18   17   19   19                                            
CONECT   19    8   18   18   20                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   22   25                                            
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   29   29                                       
CONECT   25   21   24   26   26                                       
CONECT   26   25   25   27                                            
CONECT   27   26   28   28   47                                       
CONECT   28   27   27   29                                            
CONECT   29   24   24   28   30                                       
CONECT   30   29   48   49                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   27                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
