COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.769  -0.317  -0.328  1.00  0.00           C  
HETATM    2  C   UNL     1       1.490   0.345  -0.153  1.00  0.00           C  
HETATM    3  C   UNL     1       0.085  -0.236  -0.321  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.953   0.821   0.063  1.00  0.00           C  
HETATM    5  C   UNL     1       3.788  -2.948   1.610  1.00  0.00           C  
HETATM    6  C   UNL     1       3.717  -1.450   1.911  1.00  0.00           C  
HETATM    7  C   UNL     1       4.434  -0.685   0.829  1.00  0.00           C  
HETATM    8  C   UNL     1       6.353   0.314   0.030  1.00  0.00           C  
HETATM    9  C   UNL     1       4.476   0.392  -1.306  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.308   1.091   0.208  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.064   3.147   0.934  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.385   2.755   0.824  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.681   1.472   0.392  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.621   0.618   0.076  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.881  -0.760  -0.390  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.127  -1.196  -0.511  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.392  -2.601  -0.986  1.00  0.00           C  
HETATM   18  N   UNL     1       5.711  -0.357   0.973  1.00  0.00           N  
HETATM   19  N   UNL     1       7.688   0.636   0.220  1.00  0.00           N  
HETATM   20  N   UNL     1       5.754   0.685  -1.092  1.00  0.00           N  
HETATM   21  N   UNL     1       3.852   0.783  -2.483  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.080   2.322   0.629  1.00  0.00           N  
HETATM   23  O   UNL     1       2.460  -0.641  -0.512  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.266   0.278  -0.093  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.393  -3.202  -0.162  1.00  0.00           O  
HETATM   26  H   UNL     1       1.602   1.217  -0.799  1.00  0.00           H  
HETATM   27  H   UNL     1       1.640   0.641   0.885  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.065  -0.532  -1.359  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.027  -1.107   0.325  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.804   1.116   1.102  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.841   1.692  -0.582  1.00  0.00           H  
HETATM   32  H   UNL     1       3.390  -3.138   0.613  1.00  0.00           H  
HETATM   33  H   UNL     1       4.826  -3.278   1.655  1.00  0.00           H  
HETATM   34  H   UNL     1       3.200  -3.495   2.347  1.00  0.00           H  
HETATM   35  H   UNL     1       2.673  -1.136   1.946  1.00  0.00           H  
HETATM   36  H   UNL     1       4.189  -1.249   2.872  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.834   4.145   1.274  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.179   3.441   1.077  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.705   1.142   0.298  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.055  -1.413  -0.632  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.953  -0.543  -0.269  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.739  -2.576  -2.019  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.473  -3.184  -0.925  1.00  0.00           H  
HETATM   44  H   UNL     1       8.139   0.370   1.037  1.00  0.00           H  
HETATM   45  H   UNL     1       8.170   1.128  -0.463  1.00  0.00           H  
HETATM   46  H   UNL     1       2.918   0.564  -2.632  1.00  0.00           H  
HETATM   47  H   UNL     1       4.349   1.273  -3.155  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.614  -4.110  -0.411  1.00  0.00           H  
CONECT    1    9    9   23    7                                       
CONECT    2   23    3   26   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4    3   24   30   31                                       
CONECT    5    6   32   33   34                                       
CONECT    6    5    7   35   36                                       
CONECT    7    6   18   18    1                                       
CONECT    8   18   19   20   20                                       
CONECT    9   20   21    1    1                                       
CONECT   10   24   22   22   14                                       
CONECT   11   22   12   12   37                                       
CONECT   12   11   11   13   38                                       
CONECT   13   12   14   14   39                                       
CONECT   14   13   13   15   10                                       
CONECT   15   14   16   16   40                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   25   42   43                                       
CONECT   18    7    7    8                                            
CONECT   19    8   44   45                                            
CONECT   20    8    8    9                                            
CONECT   21    9   46   47                                            
CONECT   22   10   10   11                                            
CONECT   23    1    2                                                 
CONECT   24    4   10                                                 
CONECT   25   17   48                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
