COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.740  -1.375  -1.262  1.00  0.00           C  
HETATM    2  N   UNL     1       4.106   1.351   1.358  1.00  0.00           N  
HETATM    3  C   UNL     1      10.361  -1.569  -0.687  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.411   1.170  -1.024  1.00  0.00           O  
HETATM    5  N   UNL     1       3.459   0.275  -0.602  1.00  0.00           N  
HETATM    6  N   UNL     1       6.149   0.464   0.680  1.00  0.00           N  
HETATM    7  C   UNL     1       8.203  -0.698   0.039  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.756  -0.693  -0.449  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.948  -1.294   0.227  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.987  -2.640   0.287  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.005  -3.377  -0.465  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.831  -4.856  -0.229  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.491  -5.469   0.820  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.333  -6.824   1.038  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.512  -7.569   0.204  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.355  -8.902   0.417  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.851  -6.951  -0.847  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.017  -5.596  -1.065  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.900  -0.535   1.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.330   0.855   1.170  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.560   1.627   0.090  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.002   3.057   0.265  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.955   3.815   1.038  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.637   3.793   0.621  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.676   4.489   1.330  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.032   5.208   2.456  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.351   5.231   2.872  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.312   4.538   2.160  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.189   3.694  -1.088  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.385   4.312  -1.402  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.556   4.897  -2.643  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.531   4.864  -3.569  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.334   4.247  -3.255  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.161   3.667  -2.012  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.577  -0.569   0.233  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.483   0.093   1.074  1.00  0.00           C  
HETATM   37  C   UNL     1       0.841   0.059   0.308  1.00  0.00           C  
HETATM   38  N   UNL     1       1.888   0.692   1.113  1.00  0.00           N  
HETATM   39  C   UNL     1       3.161   0.779   0.631  1.00  0.00           C  
HETATM   40  C   UNL     1       5.333   1.524   0.846  1.00  0.00           C  
HETATM   41  O   UNL     1       5.710   2.638   0.531  1.00  0.00           O  
HETATM   42  C   UNL     1       7.490   0.653   0.121  1.00  0.00           C  
HETATM   43  N   UNL     1       9.544  -0.509  -0.521  1.00  0.00           N  
HETATM   44  O   UNL     1       9.985  -2.679  -0.373  1.00  0.00           O  
HETATM   45  C   UNL     1      12.453  -2.726  -1.344  1.00  0.00           C  
HETATM   46  H   UNL     1      11.660  -0.945  -2.260  1.00  0.00           H  
HETATM   47  H   UNL     1      12.309  -0.702  -0.621  1.00  0.00           H  
HETATM   48  H   UNL     1       4.378   0.262  -0.911  1.00  0.00           H  
HETATM   49  H   UNL     1       5.849  -0.423   0.931  1.00  0.00           H  
HETATM   50  H   UNL     1       8.283  -1.128   1.037  1.00  0.00           H  
HETATM   51  H   UNL     1       7.634  -1.371  -0.602  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.340  -3.120   0.827  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.997  -3.070  -0.131  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.898  -3.164  -1.528  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.131  -4.889   1.468  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.848  -7.303   1.858  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.997  -9.453  -0.051  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.211  -7.528  -1.498  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.506  -5.116  -1.886  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.766  -0.996   1.978  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.450   1.220   2.061  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.945   3.081   0.811  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.358   3.231  -0.258  1.00  0.00           H  
HETATM   64  H   UNL     1       0.354   4.470   1.005  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.281   5.751   3.010  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.629   5.793   3.751  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.343   4.560   2.483  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.186   4.337  -0.678  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.491   5.379  -2.888  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.664   5.321  -4.539  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.533   4.221  -3.979  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.227   3.184  -1.767  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.302  -1.604   0.029  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.688  -0.030  -0.707  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.758   1.127   1.279  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.372  -0.446   2.015  1.00  0.00           H  
HETATM   77  H   UNL     1       1.116  -0.976   0.103  1.00  0.00           H  
HETATM   78  H   UNL     1       0.730   0.598  -0.633  1.00  0.00           H  
HETATM   79  H   UNL     1       1.676   1.050   1.989  1.00  0.00           H  
HETATM   80  H   UNL     1       7.410   1.083  -0.878  1.00  0.00           H  
HETATM   81  H   UNL     1       8.060   1.326   0.762  1.00  0.00           H  
HETATM   82  H   UNL     1       9.845   0.378  -0.771  1.00  0.00           H  
HETATM   83  H   UNL     1      13.451  -2.586  -1.760  1.00  0.00           H  
HETATM   84  H   UNL     1      12.533  -3.156  -0.345  1.00  0.00           H  
HETATM   85  H   UNL     1      11.884  -3.399  -1.985  1.00  0.00           H  
HETATM   86  H   UNL     1       2.751  -0.070  -1.169  1.00  0.00           H  
CONECT    1    3   45   46   47                                       
CONECT    2   40   39   39                                            
CONECT    3   44   44    1   43                                       
CONECT    4   21   21                                                 
CONECT    5   39   48   86                                            
CONECT    6   42   40   49                                            
CONECT    7   43   42   50   51                                       
CONECT    8    9    9                                                 
CONECT    9   19    8    8   10                                       
CONECT   10    9   11   52                                            
CONECT   11   10   12   53   54                                       
CONECT   12   11   18   18   13                                       
CONECT   13   12   14   14   55                                       
CONECT   14   13   13   15   56                                       
CONECT   15   17   17   14   16                                       
CONECT   16   15   57                                                 
CONECT   17   18   15   15   58                                       
CONECT   18   12   12   17   59                                       
CONECT   19   35    9   20   60                                       
CONECT   20   19   21   61                                            
CONECT   21   20   22    4    4                                       
CONECT   22   21   29   23   62                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   63                                       
CONECT   25   24   26   26   64                                       
CONECT   26   25   25   27   65                                       
CONECT   27   28   28   26   66                                       
CONECT   28   23   27   27   67                                       
CONECT   29   34   22   30   30                                       
CONECT   30   29   29   31   68                                       
CONECT   31   32   32   30   69                                       
CONECT   32   33   31   31   70                                       
CONECT   33   34   34   32   71                                       
CONECT   34   33   33   29   72                                       
CONECT   35   36   19   73   74                                       
CONECT   36   37   35   75   76                                       
CONECT   37   36   38   77   78                                       
CONECT   38   37   39   79                                            
CONECT   39    2    2   38    5                                       
CONECT   40    6    2   41   41                                       
CONECT   41   40   40                                                 
CONECT   42    7    6   80   81                                       
CONECT   43    3    7   82                                            
CONECT   44    3    3                                                 
CONECT   45    1   83   84   85                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86    5                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
