COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.911   1.211  -0.786  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.008   0.840   1.018  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.968   0.406  -1.665  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.209   2.169  -0.067  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.826   2.040   0.106  1.00  0.00           N  
HETATM    6  O   UNL     1      -6.904   4.446   0.842  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.879   3.255   0.479  1.00  0.00           C  
HETATM    8  N   UNL     1       1.805   3.380  -0.499  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.093   0.214   1.305  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.249   3.383   0.307  1.00  0.00           C  
HETATM   11  N   UNL     1       1.248   1.491   0.725  1.00  0.00           N  
HETATM   12  O   UNL     1       8.167   1.595  -0.147  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.950   2.425  -0.410  1.00  0.00           C  
HETATM   14  N   UNL     1       3.491   2.087   0.469  1.00  0.00           N  
HETATM   15  O   UNL     1       0.458  -8.602   0.191  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.281   1.340  -0.957  1.00  0.00           C  
HETATM   17  N   UNL     1       5.998   1.204  -0.407  1.00  0.00           N  
HETATM   18  C   UNL     1      -8.315   4.514   0.626  1.00  0.00           C  
HETATM   19  N   UNL     1       0.333  -3.862   0.810  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.377   0.601  -1.802  1.00  0.00           C  
HETATM   21  N   UNL     1       0.160  -6.443  -0.225  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.431   2.800  -0.251  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.046   1.694   0.509  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.321   1.017   0.819  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.904   3.022  -0.491  1.00  0.00           C  
HETATM   26  C   UNL     1       0.529   3.644  -0.754  1.00  0.00           C  
HETATM   27  C   UNL     1       2.148   2.326   0.227  1.00  0.00           C  
HETATM   28  C   UNL     1       6.358   4.847  -0.780  1.00  0.00           C  
HETATM   29  C   UNL     1       5.119   5.283  -0.346  1.00  0.00           C  
HETATM   30  C   UNL     1       4.167   4.371   0.068  1.00  0.00           C  
HETATM   31  C   UNL     1       4.453   3.013   0.050  1.00  0.00           C  
HETATM   32  C   UNL     1       5.703   2.574  -0.387  1.00  0.00           C  
HETATM   33  C   UNL     1       6.652   3.496  -0.801  1.00  0.00           C  
HETATM   34  C   UNL     1       7.279   0.790  -0.334  1.00  0.00           C  
HETATM   35  C   UNL     1       7.607  -0.673  -0.485  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.571  -0.315   1.807  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.343  -1.509   0.878  1.00  0.00           C  
HETATM   38  C   UNL     1       0.114  -2.715   1.702  1.00  0.00           C  
HETATM   39  C   UNL     1       9.119  -0.871  -0.363  1.00  0.00           C  
HETATM   40  C   UNL     1       0.995  -4.963   1.523  1.00  0.00           C  
HETATM   41  C   UNL     1       1.368  -6.063   0.522  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.635  -5.377  -0.853  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.928  -4.304   0.201  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.209  -7.735  -0.333  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.451  -8.102  -1.104  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.641  -9.620  -1.072  1.00  0.00           C  
HETATM   47  H   UNL     1      -4.390   0.368  -1.215  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.333   4.001   1.039  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.017   2.525  -0.544  1.00  0.00           H  
HETATM   50  H   UNL     1       3.764   1.279   0.930  1.00  0.00           H  
HETATM   51  H   UNL     1       5.281   0.554  -0.474  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.714   5.409   1.105  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.517   4.554  -0.444  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.791   3.631   1.053  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.839   0.619  -0.815  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.565   1.549  -2.308  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.802  -0.214  -2.388  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.072   3.032  -1.568  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.164   4.008  -0.104  1.00  0.00           H  
HETATM   60  H   UNL     1       0.252   4.504  -1.346  1.00  0.00           H  
HETATM   61  H   UNL     1       7.097   5.564  -1.106  1.00  0.00           H  
HETATM   62  H   UNL     1       4.895   6.339  -0.331  1.00  0.00           H  
HETATM   63  H   UNL     1       3.201   4.714   0.406  1.00  0.00           H  
HETATM   64  H   UNL     1       7.620   3.160  -1.140  1.00  0.00           H  
HETATM   65  H   UNL     1       7.102  -1.241   0.296  1.00  0.00           H  
HETATM   66  H   UNL     1       7.273  -1.021  -1.462  1.00  0.00           H  
HETATM   67  H   UNL     1       0.359  -0.072   2.321  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.337  -0.566   2.540  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.272  -1.752   0.363  1.00  0.00           H  
HETATM   70  H   UNL     1       0.424  -1.259   0.145  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.652  -2.966   2.435  1.00  0.00           H  
HETATM   72  H   UNL     1       1.044  -2.473   2.217  1.00  0.00           H  
HETATM   73  H   UNL     1       9.357  -1.929  -0.472  1.00  0.00           H  
HETATM   74  H   UNL     1       9.625  -0.303  -1.143  1.00  0.00           H  
HETATM   75  H   UNL     1       9.454  -0.523   0.615  1.00  0.00           H  
HETATM   76  H   UNL     1       1.898  -4.592   2.008  1.00  0.00           H  
HETATM   77  H   UNL     1       0.319  -5.370   2.274  1.00  0.00           H  
HETATM   78  H   UNL     1       1.755  -6.930   1.058  1.00  0.00           H  
HETATM   79  H   UNL     1       2.124  -5.689  -0.168  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.071  -4.937  -1.676  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.572  -5.789  -1.227  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.578  -4.719   0.971  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.421  -3.454  -0.272  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.316  -7.618  -0.651  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.348  -7.771  -2.137  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.775 -10.104  -1.525  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.743  -9.952  -0.039  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.539  -9.886  -1.630  1.00  0.00           H  
CONECT    1    4   16   16   47                                       
CONECT    2   36   23   24                                            
CONECT    3   16   20                                                 
CONECT    4    5    7    7    1                                       
CONECT    5   24   25    4                                            
CONECT    6   10   18                                                 
CONECT    7    4    4   10   48                                       
CONECT    8   27   26   26                                            
CONECT    9   24   24                                                 
CONECT   10    7    6   13   13                                       
CONECT   11   27   27   23                                            
CONECT   12   34   34                                                 
CONECT   13   10   10   16   49                                       
CONECT   14   31   27   50                                            
CONECT   15   44   44                                                 
CONECT   16    1    1    3   13                                       
CONECT   17   32   34   51                                            
CONECT   18    6   52   53   54                                       
CONECT   19   40   43   38                                            
CONECT   20    3   55   56   57                                       
CONECT   21   42   41   44                                            
CONECT   22   23   23   26   25                                       
CONECT   23   11    2   22   22                                       
CONECT   24    2    9    9    5                                       
CONECT   25   22    5   58   59                                       
CONECT   26    8    8   22   60                                       
CONECT   27   14   11   11    8                                       
CONECT   28   33   33   29   61                                       
CONECT   29   28   30   30   62                                       
CONECT   30   29   29   31   63                                       
CONECT   31   32   32   30   14                                       
CONECT   32   33   17   31   31                                       
CONECT   33   28   28   32   64                                       
CONECT   34   12   12   17   35                                       
CONECT   35   34   39   65   66                                       
CONECT   36   37    2   67   68                                       
CONECT   37   38   36   69   70                                       
CONECT   38   19   37   71   72                                       
CONECT   39   35   73   74   75                                       
CONECT   40   19   41   76   77                                       
CONECT   41   40   21   78   79                                       
CONECT   42   43   21   80   81                                       
CONECT   43   19   42   82   83                                       
CONECT   44   21   15   15   45                                       
CONECT   45   44   46   84   85                                       
CONECT   46   45   86   87   88                                       
CONECT   47    1                                                      
CONECT   48    7                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
