COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.200  -0.245  -0.064  1.00  0.00           C  
HETATM    2  C   UNL     1       0.763   0.541   0.533  1.00  0.00           C  
HETATM    3  C   UNL     1       2.222   0.232   0.314  1.00  0.00           C  
HETATM    4  N   UNL     1       2.706   0.962  -0.865  1.00  0.00           N  
HETATM    5  C   UNL     1       2.908   2.394  -0.556  1.00  0.00           C  
HETATM    6  C   UNL     1       4.119   2.818  -1.423  1.00  0.00           C  
HETATM    7  C   UNL     1       5.011   1.550  -1.357  1.00  0.00           C  
HETATM    8  C   UNL     1       3.981   0.401  -1.347  1.00  0.00           C  
HETATM    9  C   UNL     1       4.443  -0.693  -0.419  1.00  0.00           C  
HETATM   10  C   UNL     1       4.552  -2.002  -0.864  1.00  0.00           C  
HETATM   11  C   UNL     1       4.980  -2.978   0.015  1.00  0.00           C  
HETATM   12  N   UNL     1       5.281  -2.677   1.263  1.00  0.00           N  
HETATM   13  C   UNL     1       5.189  -1.444   1.721  1.00  0.00           C  
HETATM   14  C   UNL     1       4.775  -0.414   0.898  1.00  0.00           C  
HETATM   15  C   UNL     1       0.399   1.615   1.333  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.928   1.911   1.543  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.988  -2.251  -1.277  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.244   0.674   0.424  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.183  -0.086   0.009  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.752   0.188   0.228  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.544   0.038   0.135  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.919   1.125   0.946  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.730  -1.155  -0.649  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.010  -1.026  -0.621  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.344   0.042   0.011  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.720  -0.538  -0.307  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.273   1.164   0.963  1.00  0.00           N  
HETATM   28  H   UNL     1       0.091  -1.076  -0.690  1.00  0.00           H  
HETATM   29  H   UNL     1       2.793   0.538   1.191  1.00  0.00           H  
HETATM   30  H   UNL     1       2.346  -0.839   0.155  1.00  0.00           H  
HETATM   31  H   UNL     1       2.024   2.970  -0.831  1.00  0.00           H  
HETATM   32  H   UNL     1       3.131   2.526   0.502  1.00  0.00           H  
HETATM   33  H   UNL     1       3.812   3.027  -2.448  1.00  0.00           H  
HETATM   34  H   UNL     1       4.629   3.678  -0.987  1.00  0.00           H  
HETATM   35  H   UNL     1       5.653   1.485  -2.236  1.00  0.00           H  
HETATM   36  H   UNL     1       5.605   1.544  -0.443  1.00  0.00           H  
HETATM   37  H   UNL     1       3.856   0.007  -2.355  1.00  0.00           H  
HETATM   38  H   UNL     1       4.306  -2.255  -1.885  1.00  0.00           H  
HETATM   39  H   UNL     1       5.067  -4.000  -0.323  1.00  0.00           H  
HETATM   40  H   UNL     1       5.445  -1.236   2.749  1.00  0.00           H  
HETATM   41  H   UNL     1       4.702   0.594   1.278  1.00  0.00           H  
HETATM   42  H   UNL     1       1.163   2.222   1.795  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.204   2.748   2.168  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.672  -1.951  -2.276  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.111  -2.487  -0.674  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.628  -3.130  -1.346  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.199   1.600   0.978  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.799  -1.311  -0.886  1.00  0.00           H  
CONECT    1   21   21    2   28                                       
CONECT    2    1    3   15   15                                       
CONECT    3    4    2   29   30                                       
CONECT    4    8    5    3                                            
CONECT    5    6    4   31   32                                       
CONECT    6    7    5   33   34                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9    4   37                                       
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   38                                       
CONECT   11   12   12   10   39                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   40                                       
CONECT   14   13   13    9   41                                       
CONECT   15    2    2   16   42                                       
CONECT   16   22   22   15   43                                       
CONECT   17   23   44   45   46                                       
CONECT   18   19   19   25   47                                       
CONECT   19   23   20   18   18                                       
CONECT   20   19   26   27   27                                       
CONECT   21   26    1    1   22                                       
CONECT   22   21   27   16   16                                       
CONECT   23   17   24   19                                            
CONECT   24   23   25   25                                            
CONECT   25   24   24   18                                            
CONECT   26   20   21   48                                            
CONECT   27   20   20   22                                            
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
