COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.355  -2.142  -0.578  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.858  -3.023   0.389  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.590  -2.835   0.902  1.00  0.00           C  
HETATM    4  C   UNL     1       0.193  -1.769   0.456  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.302  -0.894  -0.504  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.564  -1.080  -1.024  1.00  0.00           C  
HETATM    7  O   UNL     1       7.002   1.986  -2.669  1.00  0.00           O  
HETATM    8  C   UNL     1       6.220   1.628  -1.810  1.00  0.00           C  
HETATM    9  N   UNL     1       5.356   0.678  -2.137  1.00  0.00           N  
HETATM   10  C   UNL     1       5.453   0.142  -3.497  1.00  0.00           C  
HETATM   11  C   UNL     1       4.364   0.137  -1.320  1.00  0.00           C  
HETATM   12  C   UNL     1       3.116  -0.160  -1.851  1.00  0.00           C  
HETATM   13  N   UNL     1       2.197  -0.711  -1.070  1.00  0.00           N  
HETATM   14  C   UNL     1       6.321   2.284  -0.501  1.00  0.00           C  
HETATM   15  C   UNL     1       6.594   3.654  -0.430  1.00  0.00           C  
HETATM   16  C   UNL     1       6.722   4.269   0.796  1.00  0.00           C  
HETATM   17  C   UNL     1       6.587   3.538   1.965  1.00  0.00           C  
HETATM   18  C   UNL     1       6.305   2.187   1.912  1.00  0.00           C  
HETATM   19  C   UNL     1       6.154   1.556   0.685  1.00  0.00           C  
HETATM   20  N   UNL     1       5.785   0.215   0.636  1.00  0.00           N  
HETATM   21  C   UNL     1       6.648  -0.816   1.218  1.00  0.00           C  
HETATM   22  C   UNL     1       4.590  -0.128   0.031  1.00  0.00           C  
HETATM   23  N   UNL     1       3.628  -0.701   0.747  1.00  0.00           N  
HETATM   24  C   UNL     1       2.455  -0.984   0.199  1.00  0.00           C  
HETATM   25  N   UNL     1       1.473  -1.580   0.976  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.122   0.058  -0.856  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.223   0.625   0.047  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.832  -1.444  -1.957  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.913  -0.861  -1.042  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.558   0.588  -0.699  1.00  0.00           C  
HETATM   31  C   UNL     1       5.574  -0.596   3.463  1.00  0.00           C  
HETATM   32  C   UNL     1       5.884  -1.560   2.316  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.104  -3.689   1.842  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.960  -4.758   2.253  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.709  -2.339  -1.130  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.089  -3.456  -1.424  1.00  0.00           O  
HETATM   37  N   UNL     1      -4.524  -1.281  -1.308  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.610   1.161   0.151  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.925   1.062  -0.498  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.001   1.596   0.451  1.00  0.00           C  
HETATM   41  N   UNL     1      -9.693   2.989   0.801  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.379   3.089   1.450  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.303   2.555   0.502  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.745   3.563   1.651  1.00  0.00           C  
HETATM   45  C   UNL     1       7.066  -1.805   0.128  1.00  0.00           C  
HETATM   46  H   UNL     1      -2.464  -3.847   0.733  1.00  0.00           H  
HETATM   47  H   UNL     1       0.306  -0.070  -0.847  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.945  -0.402  -1.773  1.00  0.00           H  
HETATM   49  H   UNL     1       6.261   0.644  -4.029  1.00  0.00           H  
HETATM   50  H   UNL     1       5.658  -0.928  -3.452  1.00  0.00           H  
HETATM   51  H   UNL     1       4.513   0.310  -4.022  1.00  0.00           H  
HETATM   52  H   UNL     1       2.897   0.055  -2.886  1.00  0.00           H  
HETATM   53  H   UNL     1       6.703   4.230  -1.337  1.00  0.00           H  
HETATM   54  H   UNL     1       6.931   5.328   0.846  1.00  0.00           H  
HETATM   55  H   UNL     1       6.703   4.027   2.921  1.00  0.00           H  
HETATM   56  H   UNL     1       6.202   1.622   2.826  1.00  0.00           H  
HETATM   57  H   UNL     1       7.535  -0.349   1.645  1.00  0.00           H  
HETATM   58  H   UNL     1       1.676  -1.865   1.880  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.986   0.710  -1.719  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.189  -0.010  -0.296  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.295   0.023   0.953  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.982   1.654   0.312  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.027  -2.503  -2.124  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.837  -0.917  -2.911  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.876  -0.888  -1.553  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.970  -1.448  -0.126  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.477   1.169  -1.618  1.00  0.00           H  
HETATM   68  H   UNL     1       4.965   0.228   3.092  1.00  0.00           H  
HETATM   69  H   UNL     1       5.030  -1.126   4.245  1.00  0.00           H  
HETATM   70  H   UNL     1       6.506  -0.205   3.871  1.00  0.00           H  
HETATM   71  H   UNL     1       4.952  -1.952   1.908  1.00  0.00           H  
HETATM   72  H   UNL     1       6.493  -2.384   2.687  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.877  -4.347   2.676  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.204  -5.379   1.391  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.452  -5.362   3.004  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.923   1.651  -1.415  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.135   0.019  -0.736  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.973   1.550  -0.040  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.021   0.989   1.356  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.169   4.131   1.689  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.380   2.499   2.367  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.330   2.601   0.992  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.283   3.161  -0.404  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.827   2.981   2.570  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.493   4.594   1.896  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.696   3.537   1.120  1.00  0.00           H  
HETATM   87  H   UNL     1       7.610  -1.276  -0.654  1.00  0.00           H  
HETATM   88  H   UNL     1       7.708  -2.573   0.561  1.00  0.00           H  
HETATM   89  H   UNL     1       6.179  -2.272  -0.299  1.00  0.00           H  
CONECT    1    2   35    6    6                                       
CONECT    2    3    3    1   46                                       
CONECT    3   33    2    2    4                                       
CONECT    4    3   25    5    5                                       
CONECT    5    4    4    6   47                                       
CONECT    6    1    1    5   48                                       
CONECT    7    8    8                                                 
CONECT    8    9    7    7   14                                       
CONECT    9   10   11    8                                            
CONECT   10    9   49   50   51                                       
CONECT   11   12    9   22   22                                       
CONECT   12   13   13   11   52                                       
CONECT   13   12   12   24                                            
CONECT   14    8   19   19   15                                       
CONECT   15   14   16   16   53                                       
CONECT   16   15   15   17   54                                       
CONECT   17   18   18   16   55                                       
CONECT   18   19   17   17   56                                       
CONECT   19   20   14   14   18                                       
CONECT   20   22   19   21                                            
CONECT   21   20   45   32   57                                       
CONECT   22   11   11   23   20                                       
CONECT   23   24   24   22                                            
CONECT   24   13   25   23   23                                       
CONECT   25    4   24   58                                            
CONECT   26   37   27   59   60                                       
CONECT   27   30   26   61   62                                       
CONECT   28   29   37   63   64                                       
CONECT   29   30   28   65   66                                       
CONECT   30   29   38   27   67                                       
CONECT   31   32   68   69   70                                       
CONECT   32   21   31   71   72                                       
CONECT   33   34    3                                                 
CONECT   34   33   73   74   75                                       
CONECT   35    1   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   26   35   28                                            
CONECT   38   39   30   43                                            
CONECT   39   40   38   76   77                                       
CONECT   40   39   41   78   79                                       
CONECT   41   40   42   44                                            
CONECT   42   43   41   80   81                                       
CONECT   43   38   42   82   83                                       
CONECT   44   41   84   85   86                                       
CONECT   45   21   87   88   89                                       
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   45                                                      
CONECT   89   45                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
