COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.015  -0.765  -1.214  1.00  0.00           N  
HETATM    2  C   UNL     1       3.360  -1.314  -1.027  1.00  0.00           C  
HETATM    3  C   UNL     1       3.326  -2.387   0.063  1.00  0.00           C  
HETATM    4  C   UNL     1       2.469  -3.565  -0.407  1.00  0.00           C  
HETATM    5  C   UNL     1       3.136  -4.232  -1.611  1.00  0.00           C  
HETATM    6  C   UNL     1       2.332  -4.581   0.729  1.00  0.00           C  
HETATM    7  C   UNL     1       4.301  -0.211  -0.617  1.00  0.00           C  
HETATM    8  O   UNL     1       3.889   0.923  -0.493  1.00  0.00           O  
HETATM    9  N   UNL     1       5.601  -0.484  -0.389  1.00  0.00           N  
HETATM   10  C   UNL     1       6.516   0.588   0.010  1.00  0.00           C  
HETATM   11  C   UNL     1       7.921   0.014   0.204  1.00  0.00           C  
HETATM   12  C   UNL     1       8.877   1.134   0.621  1.00  0.00           C  
HETATM   13  C   UNL     1      10.281   0.559   0.815  1.00  0.00           C  
HETATM   14  N   UNL     1      11.196   1.632   1.214  1.00  0.00           N  
HETATM   15  C   UNL     1      12.522   1.353   1.447  1.00  0.00           C  
HETATM   16  N   UNL     1      12.965   0.135   1.313  1.00  0.00           N  
HETATM   17  N   UNL     1      13.381   2.359   1.821  1.00  0.00           N  
HETATM   18  C   UNL     1       1.141  -1.384  -2.031  1.00  0.00           C  
HETATM   19  O   UNL     1       1.470  -2.394  -2.617  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.245  -0.822  -2.218  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.937  -1.581  -3.211  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.008  -0.898  -0.894  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.348  -0.226  -1.048  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.662   0.266  -2.112  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.198  -0.170  -0.004  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.501   0.483  -0.153  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.349   1.965   0.078  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.458   2.379   0.789  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.482  -0.094   0.869  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.721  -1.575   0.566  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.702  -2.153   1.588  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.931  -3.570   1.299  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.782  -4.305   2.090  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.996  -5.636   1.818  1.00  0.00           N  
HETATM   35  N   UNL     1      -8.385  -3.740   3.097  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.203   2.829  -0.506  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.110   4.295  -0.450  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.171   4.758   0.983  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.282   3.947   1.878  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.311   4.861  -1.236  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.326   3.687  -1.213  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.381   2.461  -1.312  1.00  0.00           C  
HETATM   43  N   UNL     1      -5.103   6.073   1.270  1.00  0.00           N  
HETATM   44  H   UNL     1       1.752   0.043  -0.745  1.00  0.00           H  
HETATM   45  H   UNL     1       3.704  -1.757  -1.962  1.00  0.00           H  
HETATM   46  H   UNL     1       4.340  -2.733   0.264  1.00  0.00           H  
HETATM   47  H   UNL     1       2.899  -1.967   0.973  1.00  0.00           H  
HETATM   48  H   UNL     1       1.481  -3.204  -0.692  1.00  0.00           H  
HETATM   49  H   UNL     1       4.124  -4.593  -1.326  1.00  0.00           H  
HETATM   50  H   UNL     1       2.525  -5.071  -1.946  1.00  0.00           H  
HETATM   51  H   UNL     1       3.233  -3.508  -2.420  1.00  0.00           H  
HETATM   52  H   UNL     1       1.857  -4.105   1.587  1.00  0.00           H  
HETATM   53  H   UNL     1       1.722  -5.420   0.394  1.00  0.00           H  
HETATM   54  H   UNL     1       3.320  -4.942   1.014  1.00  0.00           H  
HETATM   55  H   UNL     1       5.931  -1.391  -0.488  1.00  0.00           H  
HETATM   56  H   UNL     1       6.540   1.352  -0.767  1.00  0.00           H  
HETATM   57  H   UNL     1       6.172   1.030   0.945  1.00  0.00           H  
HETATM   58  H   UNL     1       7.897  -0.751   0.981  1.00  0.00           H  
HETATM   59  H   UNL     1       8.265  -0.429  -0.730  1.00  0.00           H  
HETATM   60  H   UNL     1       8.901   1.898  -0.156  1.00  0.00           H  
HETATM   61  H   UNL     1       8.532   1.576   1.555  1.00  0.00           H  
HETATM   62  H   UNL     1      10.257  -0.205   1.592  1.00  0.00           H  
HETATM   63  H   UNL     1      10.625   0.117  -0.120  1.00  0.00           H  
HETATM   64  H   UNL     1      10.867   2.539   1.313  1.00  0.00           H  
HETATM   65  H   UNL     1      13.901  -0.062   1.477  1.00  0.00           H  
HETATM   66  H   UNL     1      13.051   3.266   1.920  1.00  0.00           H  
HETATM   67  H   UNL     1      14.316   2.163   1.985  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.175   0.218  -2.538  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.036  -2.518  -2.992  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.156  -1.942  -0.619  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.436  -0.394  -0.115  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.948  -0.563   0.847  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.881   0.310  -1.160  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.065   0.009   1.871  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.427   0.445   0.811  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.137  -1.678  -0.436  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.776  -2.115   0.624  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.285  -2.049   2.590  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.647  -1.613   1.530  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.481  -3.991   0.549  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.547  -6.056   1.068  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.597  -6.154   2.376  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.986  -4.259   3.655  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.178   4.625  -0.909  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.723   5.737  -0.734  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.023   5.102  -2.260  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.889   3.677  -0.280  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.996   3.733  -2.071  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.092   2.284  -2.348  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.864   1.576  -0.896  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.014   6.722   0.554  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.142   6.371   2.192  1.00  0.00           H  
CONECT    1    2   18   44                                            
CONECT    2    3    7    1   45                                       
CONECT    3    4    2   46   47                                       
CONECT    4    6    5    3   48                                       
CONECT    5    4   49   50   51                                       
CONECT    6    4   52   53   54                                       
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   55                                            
CONECT   10    9   11   56   57                                       
CONECT   11   12   10   58   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13   14   12   62   63                                       
CONECT   14   15   13   64                                            
CONECT   15   16   16   14   17                                       
CONECT   16   15   15   65                                            
CONECT   17   15   66   67                                            
CONECT   18    1   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   22   21   68                                       
CONECT   21   20   69                                                 
CONECT   22   20   23   70   71                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   72                                            
CONECT   26   25   29   27   73                                       
CONECT   27   28   28   26   36                                       
CONECT   28   27   27                                                 
CONECT   29   26   30   74   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   78   79                                       
CONECT   32   31   33   80                                            
CONECT   33   32   35   35   34                                       
CONECT   34   33   81   82                                            
CONECT   35   33   33   83                                            
CONECT   36   27   37   42                                            
CONECT   37   38   36   40   84                                       
CONECT   38   39   39   43   37                                       
CONECT   39   38   38                                                 
CONECT   40   37   41   85   86                                       
CONECT   41   40   42   87   88                                       
CONECT   42   36   41   89   90                                       
CONECT   43   38   91   92                                            
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   37                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
