COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.646  -1.202  -0.383  1.00  0.00           C  
HETATM    2  O   UNL     1       4.503  -1.821  -1.419  1.00  0.00           O  
HETATM    3  N   UNL     1       6.016   0.261   0.970  1.00  0.00           N  
HETATM    4  C   UNL     1       5.877  -0.406  -0.159  1.00  0.00           C  
HETATM    5  C   UNL     1       6.867  -0.381  -1.152  1.00  0.00           C  
HETATM    6  C   UNL     1       8.005   0.348  -0.958  1.00  0.00           C  
HETATM    7  C   UNL     1       9.288   1.826   0.516  1.00  0.00           C  
HETATM    8  C   UNL     1       9.387   2.499   1.696  1.00  0.00           C  
HETATM    9  C   UNL     1       8.368   2.435   2.645  1.00  0.00           C  
HETATM   10  C   UNL     1       7.246   1.700   2.422  1.00  0.00           C  
HETATM   11  C   UNL     1       8.144   1.057   0.250  1.00  0.00           C  
HETATM   12  C   UNL     1       7.105   0.989   1.214  1.00  0.00           C  
HETATM   13  N   UNL     1       3.682  -1.233   0.559  1.00  0.00           N  
HETATM   14  C   UNL     1       2.426  -1.939   0.298  1.00  0.00           C  
HETATM   15  C   UNL     1       1.376  -0.952  -0.142  1.00  0.00           C  
HETATM   16  O   UNL     1       1.651   0.226  -0.230  1.00  0.00           O  
HETATM   17  C   UNL     1       1.962  -2.641   1.576  1.00  0.00           C  
HETATM   18  C   UNL     1       2.942  -3.728   1.937  1.00  0.00           C  
HETATM   19  O   UNL     1       3.858  -3.991   1.187  1.00  0.00           O  
HETATM   20  N   UNL     1       2.800  -4.406   3.093  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.277  -0.974  -0.547  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.512  -2.148  -1.326  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.888  -0.418  -0.867  1.00  0.00           C  
HETATM   24  N   UNL     1       0.132  -1.378  -0.439  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.768  -0.184  -2.374  1.00  0.00           C  
HETATM   26  C   UNL     1       0.553   0.477  -2.676  1.00  0.00           C  
HETATM   27  C   UNL     1       1.668  -0.296  -2.940  1.00  0.00           C  
HETATM   28  C   UNL     1       0.648   1.855  -2.693  1.00  0.00           C  
HETATM   29  C   UNL     1       2.879   0.310  -3.217  1.00  0.00           C  
HETATM   30  C   UNL     1       1.859   2.462  -2.970  1.00  0.00           C  
HETATM   31  C   UNL     1       2.975   1.689  -3.230  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.650  -0.383  -0.410  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.337   0.079  -0.879  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.599   0.734  -0.319  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.011   1.824   0.538  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.110   1.570   1.309  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.909   0.245   0.304  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.488  -0.880  -0.557  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.774  -1.406   0.078  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.471  -1.956   1.473  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.455  -3.095   1.359  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.164  -2.563   0.733  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.461  -2.011  -0.663  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.168  -1.456  -1.268  1.00  0.00           C  
HETATM   45  N   UNL     1      -5.486   3.082   0.449  1.00  0.00           N  
HETATM   46  C   UNL     1      -4.915   4.142   1.283  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.424   4.288   0.972  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.628   5.463   0.989  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.095   3.783   2.759  1.00  0.00           C  
HETATM   50  H   UNL     1       6.729  -0.936  -2.068  1.00  0.00           H  
HETATM   51  H   UNL     1       8.778   0.379  -1.711  1.00  0.00           H  
HETATM   52  H   UNL     1      10.084   1.884  -0.211  1.00  0.00           H  
HETATM   53  H   UNL     1      10.268   3.091   1.899  1.00  0.00           H  
HETATM   54  H   UNL     1       8.472   2.978   3.573  1.00  0.00           H  
HETATM   55  H   UNL     1       6.466   1.661   3.168  1.00  0.00           H  
HETATM   56  H   UNL     1       3.821  -0.787   1.409  1.00  0.00           H  
HETATM   57  H   UNL     1       2.581  -2.679  -0.487  1.00  0.00           H  
HETATM   58  H   UNL     1       1.906  -1.917   2.389  1.00  0.00           H  
HETATM   59  H   UNL     1       0.977  -3.080   1.412  1.00  0.00           H  
HETATM   60  H   UNL     1       2.067  -4.196   3.692  1.00  0.00           H  
HETATM   61  H   UNL     1       3.431  -5.106   3.325  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.333  -1.224   0.513  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.477  -2.000  -2.281  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.744   0.525  -0.340  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.087  -2.320  -0.368  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.823  -1.140  -2.896  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.581   0.460  -2.708  1.00  0.00           H  
HETATM   68  H   UNL     1       1.593  -1.374  -2.931  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.225   2.459  -2.491  1.00  0.00           H  
HETATM   70  H   UNL     1       3.750  -0.294  -3.423  1.00  0.00           H  
HETATM   71  H   UNL     1       1.933   3.539  -2.984  1.00  0.00           H  
HETATM   72  H   UNL     1       3.921   2.162  -3.445  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.084   1.017  -0.385  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.370   0.233  -1.957  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.796   1.124  -1.318  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.716  -0.128   1.310  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.620   1.070   0.351  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.706  -0.498  -1.554  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.498  -0.595   0.157  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.187  -2.201  -0.544  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.060  -1.162   2.095  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.390  -2.333   1.923  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.240  -3.491   2.352  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.864  -3.886   0.732  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.758  -1.769   1.359  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.438  -3.372   0.656  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.857  -2.806  -1.295  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.373  -1.058  -2.263  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.429  -2.253  -1.341  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.207   3.286  -0.167  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.296   4.544  -0.080  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.999   5.076   1.592  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.915   3.347   1.181  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.691   5.359   1.211  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.203   6.252   1.610  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.500   5.719  -0.063  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.586   2.842   2.969  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.669   4.571   3.380  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.157   3.679   2.981  1.00  0.00           H  
CONECT    1    2    2    4   13                                       
CONECT    2    1    1                                                 
CONECT    3    4    4   12                                            
CONECT    4    1    3    3    5                                       
CONECT    5    4    6    6   50                                       
CONECT    6    5    5   11   51                                       
CONECT    7   11   11    8   52                                       
CONECT    8    7    9    9   53                                       
CONECT    9    8    8   10   54                                       
CONECT   10    9   12   12   55                                       
CONECT   11    6    7    7   12                                       
CONECT   12    3   11   10   10                                       
CONECT   13   14   56    1                                            
CONECT   14   13   15   17   57                                       
CONECT   15   14   16   16   24                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   58   59                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   60   61                                            
CONECT   21   22   23   62   33                                       
CONECT   22   21   63                                                 
CONECT   23   21   24   25   64                                       
CONECT   24   23   65   15                                            
CONECT   25   23   26   66   67                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   29   68                                       
CONECT   28   26   30   30   69                                       
CONECT   29   27   31   31   70                                       
CONECT   30   28   28   31   71                                       
CONECT   31   29   29   30   72                                       
CONECT   32   33   34   44                                            
CONECT   33   32   73   74   21                                       
CONECT   34   32   35   37   75                                       
CONECT   35   34   36   36   45                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   76   77                                       
CONECT   38   37   39   43   78                                       
CONECT   39   38   40   79   80                                       
CONECT   40   39   41   81   82                                       
CONECT   41   40   42   83   84                                       
CONECT   42   41   43   85   86                                       
CONECT   43   38   42   44   87                                       
CONECT   44   32   43   88   89                                       
CONECT   45   46   90   35                                            
CONECT   46   45   47   48   49                                       
CONECT   47   46   91   92   93                                       
CONECT   48   46   94   95   96                                       
CONECT   49   46   97   98   99                                       
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
