COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.210   3.903   0.796  1.00  0.00           C  
HETATM    2  C   UNL     1       1.841  -0.326   1.439  1.00  0.00           C  
HETATM    3  C   UNL     1       1.477   3.762   2.390  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.089  -3.571  -1.300  1.00  0.00           C  
HETATM    5  C   UNL     1       5.314   0.483   1.515  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.286   2.643  -2.116  1.00  0.00           C  
HETATM    7  C   UNL     1       5.350   2.996  -0.933  1.00  0.00           C  
HETATM    8  N   UNL     1       7.824  -2.844   0.216  1.00  0.00           N  
HETATM    9  O   UNL     1       6.803  -1.651  -1.355  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.344  -1.982   1.998  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.124   0.024   0.547  1.00  0.00           O  
HETATM   12  O   UNL     1      -6.113   1.264  -0.417  1.00  0.00           O  
HETATM   13  O   UNL     1       2.484   2.292  -2.091  1.00  0.00           O  
HETATM   14  C   UNL     1       1.648  -3.769  -0.318  1.00  0.00           C  
HETATM   15  C   UNL     1       0.616  -3.110   0.431  1.00  0.00           C  
HETATM   16  C   UNL     1       2.842  -3.237  -0.385  1.00  0.00           C  
HETATM   17  C   UNL     1       4.043   0.886  -0.601  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.479  -2.795   0.104  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.823  -3.184  -1.012  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.749  -1.734   0.666  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.595   2.695   0.373  1.00  0.00           C  
HETATM   22  C   UNL     1       0.505   3.636  -0.651  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.993  -2.175   0.424  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.352   3.345  -0.202  1.00  0.00           O  
HETATM   25  O   UNL     1       2.217  -1.028   0.252  1.00  0.00           O  
HETATM   26  O   UNL     1       2.106   4.000   1.129  1.00  0.00           O  
HETATM   27  O   UNL     1       5.617  -2.128   0.459  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.727  -2.423  -1.161  1.00  0.00           O  
HETATM   29  C   UNL     1       6.750  -2.188  -0.266  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.710  -3.008   0.040  1.00  0.00           C  
HETATM   31  C   UNL     1       4.542   0.009   0.264  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.629  -2.319   0.875  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.661  -1.528  -0.156  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.717   1.648   0.175  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.312  -0.778   0.288  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.999   1.950  -0.059  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.607  -0.509   0.035  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.303   0.232   0.348  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.062   0.931  -0.217  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.566   2.504  -0.742  1.00  0.00           C  
HETATM   41  C   UNL     1       4.158   2.418  -0.322  1.00  0.00           C  
HETATM   42  C   UNL     1       3.187  -1.983   0.451  1.00  0.00           C  
HETATM   43  C   UNL     1       2.919   3.044  -0.955  1.00  0.00           C  
HETATM   44  C   UNL     1       1.686   3.092   0.080  1.00  0.00           C  
HETATM   45  C   UNL     1       4.554  -1.441  -0.093  1.00  0.00           C  
HETATM   46  H   UNL     1      -6.187   3.423   0.744  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.775   3.738   1.782  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.322   4.973   0.622  1.00  0.00           H  
HETATM   49  H   UNL     1       1.005   0.338   1.219  1.00  0.00           H  
HETATM   50  H   UNL     1       1.545  -1.042   2.206  1.00  0.00           H  
HETATM   51  H   UNL     1       2.687   0.261   1.797  1.00  0.00           H  
HETATM   52  H   UNL     1       1.709   2.751   2.727  1.00  0.00           H  
HETATM   53  H   UNL     1       1.844   4.482   3.121  1.00  0.00           H  
HETATM   54  H   UNL     1       0.397   3.871   2.284  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.207  -3.996  -1.779  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.841  -4.350  -1.168  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.496  -2.777  -1.926  1.00  0.00           H  
HETATM   58  H   UNL     1       4.117   2.598   0.688  1.00  0.00           H  
HETATM   59  H   UNL     1       5.352   1.572   1.528  1.00  0.00           H  
HETATM   60  H   UNL     1       4.806   0.127   2.412  1.00  0.00           H  
HETATM   61  H   UNL     1       6.328   0.084   1.490  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.572   2.463  -2.920  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.094   1.914  -2.179  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.695   3.649  -2.212  1.00  0.00           H  
HETATM   65  H   UNL     1       5.351   2.781  -2.001  1.00  0.00           H  
HETATM   66  H   UNL     1       5.349   4.075  -0.779  1.00  0.00           H  
HETATM   67  H   UNL     1       6.239   2.564  -0.474  1.00  0.00           H  
HETATM   68  H   UNL     1       8.641  -2.887  -0.307  1.00  0.00           H  
HETATM   69  H   UNL     1       7.782  -3.273   1.085  1.00  0.00           H  
HETATM   70  H   UNL     1       3.143   2.226  -2.795  1.00  0.00           H  
HETATM   71  H   UNL     1       1.384  -4.655  -0.958  1.00  0.00           H  
HETATM   72  H   UNL     1       0.785  -2.663   1.424  1.00  0.00           H  
HETATM   73  H   UNL     1       3.596  -3.768  -0.947  1.00  0.00           H  
HETATM   74  H   UNL     1       3.654   0.501  -1.457  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.395  -3.217   0.489  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.131  -3.978  -1.675  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.992  -1.188   1.565  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.122   3.673   0.267  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.134   2.643   1.292  1.00  0.00           H  
HETATM   80  H   UNL     1       0.732   4.012  -1.585  1.00  0.00           H  
HETATM   81  H   UNL     1       0.092   4.479  -0.021  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.509  -2.913   0.289  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.068   1.590  -0.686  1.00  0.00           H  
HETATM   84  H   UNL     1       3.309  -2.218   1.499  1.00  0.00           H  
HETATM   85  H   UNL     1       3.101   4.040  -1.266  1.00  0.00           H  
HETATM   86  H   UNL     1       1.525   2.128   0.486  1.00  0.00           H  
HETATM   87  H   UNL     1       4.487  -1.526  -1.189  1.00  0.00           H  
CONECT    1   24   46   47   48                                       
CONECT    2   25   49   50   51                                       
CONECT    3   26   52   53   54                                       
CONECT    4   30   55   56   57                                       
CONECT    5   31   59   60   61                                       
CONECT    6   40   62   63   64                                       
CONECT    7   41   65   66   67                                       
CONECT    8   29   68   69                                            
CONECT    9   29   29                                                 
CONECT   10   32   32                                                 
CONECT   11   38   38                                                 
CONECT   12   39   39                                                 
CONECT   13   43   70                                                 
CONECT   14   16   16   15   71                                       
CONECT   15   14   30   30   72                                       
CONECT   16   14   14   42   73                                       
CONECT   17   41   31   31   74                                       
CONECT   18   20   19   19   75                                       
CONECT   19   18   18   28   76                                       
CONECT   20   18   33   33   77                                       
CONECT   21   40   34   78   79                                       
CONECT   22   44   40   80   81                                       
CONECT   23   35   32   82                                            
CONECT   24    1   36                                                 
CONECT   25    2   42                                                 
CONECT   26    3   44                                                 
CONECT   27   29   45                                                 
CONECT   28   19   33                                                 
CONECT   29    8    9    9   27                                       
CONECT   30    4   15   15   32                                       
CONECT   31    5   17   17   45                                       
CONECT   32   10   10   23   30                                       
CONECT   33   20   20   28   37                                       
CONECT   34   21   36   36   38                                       
CONECT   35   23   37   37   38                                       
CONECT   36   24   34   34   39                                       
CONECT   37   33   35   35   39                                       
CONECT   38   11   11   34   35                                       
CONECT   39   12   12   36   37                                       
CONECT   40    6   21   22   83                                       
CONECT   41   58    7   17   43                                       
CONECT   42   16   25   45   84                                       
CONECT   43   13   41   44   85                                       
CONECT   44   22   26   43   86                                       
CONECT   45   27   31   42   87                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58   41                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   40                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
