COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.561  -0.503   1.080  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.060  -0.234   0.386  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.895   0.195  -0.998  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.205  -0.712  -0.186  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.862  -0.570   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.174   0.482  -0.609  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.864   1.389  -1.422  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.724   0.639  -0.396  1.00  0.00           C  
HETATM    9  C   UNL     1       3.462  -1.232   0.738  1.00  0.00           C  
HETATM   10  C   UNL     1       3.327   1.178   0.621  1.00  0.00           C  
HETATM   11  C   UNL     1       6.221  -0.678   0.118  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.878  -1.030   0.964  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.679  -0.943   1.926  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.007  -0.340  -0.198  1.00  0.00           C  
HETATM   15  N   UNL     1      -8.333  -0.623  -0.339  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.206   1.244  -1.619  1.00  0.00           C  
HETATM   17  C   UNL     1       1.333  -0.151   0.502  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.128   1.557  -0.926  1.00  0.00           O  
HETATM   19  C   UNL     1       2.089  -1.310   0.624  1.00  0.00           C  
HETATM   20  C   UNL     1       4.091   0.014   0.737  1.00  0.00           C  
HETATM   21  C   UNL     1       1.955   1.092   0.507  1.00  0.00           C  
HETATM   22  N   UNL     1       5.455   0.095   0.851  1.00  0.00           N1+
HETATM   23  N   UNL     1       5.749  -1.484  -0.879  1.00  0.00           N  
HETATM   24  C   UNL     1       6.876  -2.204  -1.488  1.00  0.00           C  
HETATM   25  C   UNL     1       8.112  -1.715  -0.711  1.00  0.00           C  
HETATM   26  N   UNL     1       7.577  -0.757   0.266  1.00  0.00           N  
HETATM   27 CL   UNL     1       4.103   2.731   0.628  1.00  0.00          Cl  
HETATM   28  N   UNL     1      -6.238   0.054  -1.190  1.00  0.00           N1+
HETATM   29  H   UNL     1      -5.653  -0.349   1.383  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.546  -0.921   0.869  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.736  -1.523   0.290  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.329  -1.270   0.633  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.333   2.201  -1.896  1.00  0.00           H  
HETATM   34  H   UNL     1       4.048  -2.134   0.832  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.259  -2.050   0.921  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.666  -0.343   1.274  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.467  -1.921   2.359  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.873  -0.212   2.711  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.835  -0.568  -1.167  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.739   1.943  -2.246  1.00  0.00           H  
HETATM   41  H   UNL     1       1.602  -2.274   0.628  1.00  0.00           H  
HETATM   42  H   UNL     1       1.364   1.991   0.418  1.00  0.00           H  
HETATM   43  H   UNL     1       4.819  -1.569  -1.142  1.00  0.00           H  
HETATM   44  H   UNL     1       6.751  -3.280  -1.365  1.00  0.00           H  
HETATM   45  H   UNL     1       6.963  -1.950  -2.544  1.00  0.00           H  
HETATM   46  H   UNL     1       8.597  -2.549  -0.205  1.00  0.00           H  
HETATM   47  H   UNL     1       8.811  -1.218  -1.383  1.00  0.00           H  
HETATM   48  H   UNL     1       8.102  -0.264   0.916  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.627   0.243  -2.059  1.00  0.00           H  
HETATM   50  H   UNL     1       5.853   0.723   1.473  1.00  0.00           H  
CONECT    1   14   13   29                                            
CONECT    2   17    8   30                                            
CONECT    3   16   16    4   28                                       
CONECT    4    5    5    3   31                                       
CONECT    5    6    4    4   32                                       
CONECT    6    8    7    7    5                                       
CONECT    7    6    6   16   33                                       
CONECT    8    2   18   18    6                                       
CONECT    9   20   20   19   34                                       
CONECT   10   27   20   21   21                                       
CONECT   11   26   23   22   22                                       
CONECT   12   15   13   35   36                                       
CONECT   13    1   12   37   38                                       
CONECT   14   28   28   15    1                                       
CONECT   15   14   12   39                                            
CONECT   16    7    3    3   40                                       
CONECT   17   19   19   21    2                                       
CONECT   18    8    8                                                 
CONECT   19    9   17   17   41                                       
CONECT   20   22    9    9   10                                       
CONECT   21   10   10   17   42                                       
CONECT   22   11   11   20   50                                       
CONECT   23   24   11   43                                            
CONECT   24   25   23   44   45                                       
CONECT   25   24   26   46   47                                       
CONECT   26   25   11   48                                            
CONECT   27   10                                                      
CONECT   28    3   14   14   49                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   22                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
