COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.129  -0.186   2.120  1.00  0.00           N  
HETATM    2  N   UNL     1       7.129   0.223   2.125  1.00  0.00           N  
HETATM    3  C   UNL     1     -11.332  -1.174  -0.458  1.00  0.00           C  
HETATM    4  C   UNL     1      11.328   1.192  -0.465  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.322  -1.226  -1.407  1.00  0.00           C  
HETATM    6  C   UNL     1      10.320   1.220  -1.416  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.012  -0.891   0.860  1.00  0.00           C  
HETATM    8  C   UNL     1      11.008   0.932   0.857  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.019  -0.993  -1.000  1.00  0.00           C  
HETATM   10  C   UNL     1       9.018   0.984  -1.007  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.617  -1.284   1.331  1.00  0.00           C  
HETATM   12  C   UNL     1       4.617   1.281   1.327  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.699  -0.052   3.038  1.00  0.00           C  
HETATM   14  C   UNL     1       0.700   0.054   3.038  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.328  -1.183   1.769  1.00  0.00           C  
HETATM   16  C   UNL     1       3.328   1.181   1.765  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.273   0.601  -0.152  1.00  0.00           C  
HETATM   18  C   UNL     1       4.274  -0.610  -0.149  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.074   3.961  -3.187  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.018   4.495  -1.842  1.00  0.00           C  
HETATM   21  C   UNL     1       2.076  -3.981  -3.172  1.00  0.00           C  
HETATM   22  C   UNL     1       4.019  -4.510  -1.825  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.514   3.059  -2.084  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.516   3.610  -0.699  1.00  0.00           C  
HETATM   25  C   UNL     1       1.515  -3.076  -2.072  1.00  0.00           C  
HETATM   26  C   UNL     1       3.517  -3.621  -0.685  1.00  0.00           C  
HETATM   27  N   UNL     1      -9.765  -0.673   1.221  1.00  0.00           N  
HETATM   28  N   UNL     1       9.763   0.711   1.220  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.872   5.036  -2.584  1.00  0.00           N  
HETATM   30  N   UNL     1       2.873  -5.054  -2.565  1.00  0.00           N  
HETATM   31  N   UNL     1      -6.395  -0.501  -0.068  1.00  0.00           N  
HETATM   32  N   UNL     1       6.396   0.493  -0.069  1.00  0.00           N  
HETATM   33  O   UNL     1      -2.155   1.671  -0.209  1.00  0.00           O  
HETATM   34  O   UNL     1       2.156  -1.681  -0.203  1.00  0.00           O  
HETATM   35  O   UNL     1       0.000  -0.002   0.954  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.383  -0.462   0.794  1.00  0.00           C  
HETATM   37  C   UNL     1       7.383   0.476   0.795  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.105  -0.395   0.367  1.00  0.00           C  
HETATM   39  C   UNL     1       5.106   0.388   0.366  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.769  -0.714   0.343  1.00  0.00           C  
HETATM   41  C   UNL     1       8.767   0.729   0.341  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.968   0.705   0.290  1.00  0.00           C  
HETATM   43  C   UNL     1       2.969  -0.713   0.293  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.096  -0.084   1.734  1.00  0.00           C  
HETATM   45  C   UNL     1       1.097   0.081   1.733  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.487  -0.190   1.258  1.00  0.00           C  
HETATM   47  C   UNL     1       2.488   0.186   1.257  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.673   2.469  -1.276  1.00  0.00           C  
HETATM   49  C   UNL     1       2.674  -2.482  -1.267  1.00  0.00           C  
HETATM   50  H   UNL     1      -6.222  -0.011   2.414  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.859  -0.163   2.759  1.00  0.00           H  
HETATM   52  H   UNL     1       6.242  -0.052   2.406  1.00  0.00           H  
HETATM   53  H   UNL     1       7.837   0.321   2.781  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.358  -1.347  -0.744  1.00  0.00           H  
HETATM   55  H   UNL     1      12.354   1.367  -0.753  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.547  -1.445  -2.440  1.00  0.00           H  
HETATM   57  H   UNL     1      10.544   1.421  -2.453  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.796  -0.850   1.601  1.00  0.00           H  
HETATM   59  H   UNL     1      11.791   0.909   1.600  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.208  -1.026  -1.713  1.00  0.00           H  
HETATM   61  H   UNL     1       8.208   0.999  -1.721  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.260  -2.056   1.726  1.00  0.00           H  
HETATM   63  H   UNL     1       5.261   2.054   1.720  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.340  -0.102   3.906  1.00  0.00           H  
HETATM   65  H   UNL     1       1.341   0.104   3.906  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.956  -1.872   2.514  1.00  0.00           H  
HETATM   67  H   UNL     1       2.957   1.872   2.507  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.649   1.287  -0.896  1.00  0.00           H  
HETATM   69  H   UNL     1       4.650  -1.299  -0.891  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.251   4.394  -3.755  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.704   3.371  -3.853  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.639   3.903  -2.514  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.607   5.316  -1.434  1.00  0.00           H  
HETATM   74  H   UNL     1       1.252  -4.417  -3.738  1.00  0.00           H  
HETATM   75  H   UNL     1       2.705  -3.394  -3.840  1.00  0.00           H  
HETATM   76  H   UNL     1       4.640  -3.921  -2.499  1.00  0.00           H  
HETATM   77  H   UNL     1       4.608  -5.330  -1.413  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.935   2.252  -2.533  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.873   3.645  -1.425  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.906   4.204  -0.019  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.367   3.196  -0.159  1.00  0.00           H  
HETATM   82  H   UNL     1       0.936  -2.270  -2.524  1.00  0.00           H  
HETATM   83  H   UNL     1       0.874  -3.659  -1.412  1.00  0.00           H  
HETATM   84  H   UNL     1       2.908  -4.213  -0.003  1.00  0.00           H  
HETATM   85  H   UNL     1       4.368  -3.205  -0.146  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.301   5.621  -1.991  1.00  0.00           H  
HETATM   87  H   UNL     1       2.303  -5.637  -1.970  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.293   1.851  -1.926  1.00  0.00           H  
HETATM   89  H   UNL     1       3.294  -1.867  -1.919  1.00  0.00           H  
CONECT    1   36   50   51                                            
CONECT    2   37   52   53                                            
CONECT    3    5    5    7   54                                       
CONECT    4    6    6    8   55                                       
CONECT    5    3    3    9   56                                       
CONECT    6    4    4   10   57                                       
CONECT    7    3   27   27   58                                       
CONECT    8    4   28   28   59                                       
CONECT    9    5   40   40   60                                       
CONECT   10    6   41   41   61                                       
CONECT   11   15   15   38   62                                       
CONECT   12   16   16   39   63                                       
CONECT   13   14   44   44   64                                       
CONECT   14   13   45   45   65                                       
CONECT   15   11   11   46   66                                       
CONECT   16   12   12   47   67                                       
CONECT   17   38   38   42   68                                       
CONECT   18   39   39   43   69                                       
CONECT   19   23   29   70   71                                       
CONECT   20   24   29   72   73                                       
CONECT   21   25   30   74   75                                       
CONECT   22   26   30   76   77                                       
CONECT   23   19   48   78   79                                       
CONECT   24   20   48   80   81                                       
CONECT   25   21   49   82   83                                       
CONECT   26   22   49   84   85                                       
CONECT   27    7    7   40                                            
CONECT   28    8    8   41                                            
CONECT   29   19   20   86                                            
CONECT   30   21   22   87                                            
CONECT   31   36   36   38                                            
CONECT   32   37   37   39                                            
CONECT   33   42   48                                                 
CONECT   34   43   49                                                 
CONECT   35   44   45                                                 
CONECT   36    1   31   31   40                                       
CONECT   37    2   32   32   41                                       
CONECT   38   11   17   17   31                                       
CONECT   39   12   18   18   32                                       
CONECT   40    9    9   27   36                                       
CONECT   41   10   10   28   37                                       
CONECT   42   17   33   46   46                                       
CONECT   43   18   34   47   47                                       
CONECT   44   13   13   35   46                                       
CONECT   45   14   14   35   47                                       
CONECT   46   15   42   42   44                                       
CONECT   47   16   43   43   45                                       
CONECT   48   23   24   33   88                                       
CONECT   49   25   26   34   89                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   48                                                      
CONECT   89   49                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
