COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.132  -2.434   0.430  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.344  -1.323  -0.017  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.548  -1.028  -0.545  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.866   0.344  -0.963  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.168   0.778  -0.282  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.568  -2.072  -0.714  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.862  -1.611  -0.036  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.265  -0.243  -0.591  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.556   0.198   0.049  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.595   1.223   0.686  1.00  0.00           O  
HETATM   11  O   UNL     1      -8.663  -0.549  -0.090  1.00  0.00           O  
HETATM   12  C   UNL     1      -9.907  -0.124   0.527  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.282  -0.299   0.018  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.365  -0.277   1.073  1.00  0.00           C  
HETATM   15  C   UNL     1       0.624   0.679   1.103  1.00  0.00           C  
HETATM   16  C   UNL     1       0.711   1.625   0.085  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.201   1.606  -0.967  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.189   0.648  -1.006  1.00  0.00           C  
HETATM   19  N   UNL     1       1.711   2.590   0.118  1.00  0.00           N  
HETATM   20  C   UNL     1       1.733   3.657  -0.885  1.00  0.00           C  
HETATM   21  C   UNL     1       2.744   2.539   1.156  1.00  0.00           C  
HETATM   22  C   UNL     1       3.906   1.713   0.669  1.00  0.00           C  
HETATM   23  N   UNL     1       3.881   0.405   0.811  1.00  0.00           N  
HETATM   24  C   UNL     1       4.906  -0.321   0.376  1.00  0.00           C  
HETATM   25  C   UNL     1       6.021   0.314  -0.226  1.00  0.00           C  
HETATM   26  N   UNL     1       6.028   1.643  -0.356  1.00  0.00           N  
HETATM   27  C   UNL     1       5.001   2.343   0.077  1.00  0.00           C  
HETATM   28  C   UNL     1       4.935  -1.779   0.501  1.00  0.00           C  
HETATM   29  N   UNL     1       3.889  -2.466   1.076  1.00  0.00           N  
HETATM   30  N   UNL     1       6.004  -2.415   0.042  1.00  0.00           N  
HETATM   31  C   UNL     1       7.015  -1.755  -0.513  1.00  0.00           C  
HETATM   32  N   UNL     1       7.040  -0.444  -0.650  1.00  0.00           N  
HETATM   33  N   UNL     1       8.098  -2.481  -0.971  1.00  0.00           N  
HETATM   34  H   UNL     1      -3.991   0.377  -2.045  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.058   1.013  -0.666  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.466   1.757  -0.657  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.015   0.832   0.796  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.750  -2.236  -1.776  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.223  -2.997  -0.253  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.702  -1.535   1.039  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.654  -2.333  -0.236  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.401  -0.315  -1.670  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.772  -0.052   1.606  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.195   0.850   0.131  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.689  -0.851   0.307  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.432  -1.010   1.863  1.00  0.00           H  
HETATM   47  H   UNL     1       1.333   0.696   1.917  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.131   2.341  -1.755  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.896   0.634  -1.821  1.00  0.00           H  
HETATM   50  H   UNL     1       0.949   3.480  -1.621  1.00  0.00           H  
HETATM   51  H   UNL     1       1.563   4.617  -0.398  1.00  0.00           H  
HETATM   52  H   UNL     1       2.703   3.669  -1.383  1.00  0.00           H  
HETATM   53  H   UNL     1       3.084   3.550   1.379  1.00  0.00           H  
HETATM   54  H   UNL     1       2.330   2.088   2.058  1.00  0.00           H  
HETATM   55  H   UNL     1       5.005   3.418  -0.028  1.00  0.00           H  
HETATM   56  H   UNL     1       3.926  -3.432   1.151  1.00  0.00           H  
HETATM   57  H   UNL     1       3.115  -1.983   1.407  1.00  0.00           H  
HETATM   58  H   UNL     1       8.850  -2.024  -1.380  1.00  0.00           H  
HETATM   59  H   UNL     1       8.106  -3.447  -0.884  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4    6                                            
CONECT    4    3    5   34   35                                       
CONECT    5    4    8   36   37                                       
CONECT    6    3    7   38   39                                       
CONECT    7    6    8   40   41                                       
CONECT    8    5    7    9   42                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   43   44   45                                       
CONECT   13    2   14   14   18                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   16   47                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18   18   48                                       
CONECT   18   13   17   17   49                                       
CONECT   19   16   20   21                                            
CONECT   20   19   50   51   52                                       
CONECT   21   19   22   53   54                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   28   28                                       
CONECT   25   24   26   32   32                                       
CONECT   26   25   27   27                                            
CONECT   27   22   26   26   55                                       
CONECT   28   24   24   29   30                                       
CONECT   29   28   56   57                                            
CONECT   30   28   31   31                                            
CONECT   31   30   30   32   33                                       
CONECT   32   25   25   31                                            
CONECT   33   31   58   59                                            
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
