COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.846  -3.165   0.361  1.00  0.00           O  
HETATM    2  O   UNL     1       5.600   1.341   0.614  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.914  -4.060   0.676  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.163  -1.850   0.219  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.473  -1.432   0.380  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.795  -0.089   0.234  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.119   0.334   0.397  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.235   1.786   0.200  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.679   2.220   0.463  1.00  0.00           C  
HETATM   10  N   UNL     1     -10.579   1.495  -0.444  1.00  0.00           N  
HETATM   11  C   UNL     1     -11.969   1.939  -0.274  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.463   0.043  -0.248  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.019  -0.391  -0.511  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.804   0.834  -0.072  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.496   0.418  -0.232  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.169  -0.922  -0.083  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.840  -1.342  -0.240  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.802  -0.447  -0.041  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.074   0.766   0.417  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.117   1.663   0.607  1.00  0.00           C  
HETATM   21  C   UNL     1       0.191   1.321   0.322  1.00  0.00           C  
HETATM   22  C   UNL     1       1.294   2.330   0.448  1.00  0.00           C  
HETATM   23  C   UNL     1       2.610   1.704   0.909  1.00  0.00           C  
HETATM   24  C   UNL     1       2.868   0.440   0.142  1.00  0.00           C  
HETATM   25  C   UNL     1       1.854  -0.365  -0.328  1.00  0.00           C  
HETATM   26  N   UNL     1       2.435  -1.415  -0.942  1.00  0.00           N  
HETATM   27  C   UNL     1       1.718  -2.528  -1.570  1.00  0.00           C  
HETATM   28  N   UNL     1       3.719  -1.291  -0.892  1.00  0.00           N  
HETATM   29  C   UNL     1       4.054  -0.183  -0.248  1.00  0.00           C  
HETATM   30  C   UNL     1       5.426   0.302   0.008  1.00  0.00           C  
HETATM   31  N   UNL     1       6.484  -0.408  -0.430  1.00  0.00           N  
HETATM   32  C   UNL     1       7.782  -0.008  -0.094  1.00  0.00           C  
HETATM   33  C   UNL     1       8.259   1.228  -0.511  1.00  0.00           C  
HETATM   34  C   UNL     1       7.380   2.140  -1.328  1.00  0.00           C  
HETATM   35  C   UNL     1       6.988   3.357  -0.487  1.00  0.00           C  
HETATM   36  C   UNL     1       9.541   1.620  -0.177  1.00  0.00           C  
HETATM   37  C   UNL     1      10.348   0.784   0.572  1.00  0.00           C  
HETATM   38  C   UNL     1       9.876  -0.447   0.989  1.00  0.00           C  
HETATM   39  C   UNL     1       8.593  -0.843   0.663  1.00  0.00           C  
HETATM   40  C   UNL     1       8.077  -2.182   1.123  1.00  0.00           C  
HETATM   41  C   UNL     1       8.292  -3.218   0.018  1.00  0.00           C  
HETATM   42  C   UNL     1       0.445   0.017  -0.128  1.00  0.00           C  
HETATM   43  N   UNL     1      -0.559  -0.827  -0.307  1.00  0.00           N  
HETATM   44  H   UNL     1      -5.525  -5.075   0.761  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.369  -3.764   1.622  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.664  -4.023  -0.114  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.244  -2.150   0.618  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.569   2.301   0.892  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.961   2.037  -0.825  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.944   1.993   1.496  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.774   3.292   0.290  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.038   3.005  -0.491  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.613   1.386  -0.957  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.286   1.756   0.753  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.737  -0.208   0.777  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.129  -0.472  -0.939  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.754  -0.164  -1.544  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.924  -1.463  -0.338  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.055   1.878  -0.184  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.726   1.137  -0.470  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.648  -2.260  -0.489  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.357   2.648   0.979  1.00  0.00           H  
HETATM   63  H   UNL     1       1.450   2.806  -0.521  1.00  0.00           H  
HETATM   64  H   UNL     1       3.426   2.406   0.735  1.00  0.00           H  
HETATM   65  H   UNL     1       1.526  -2.292  -2.616  1.00  0.00           H  
HETATM   66  H   UNL     1       2.324  -3.432  -1.507  1.00  0.00           H  
HETATM   67  H   UNL     1       0.772  -2.688  -1.054  1.00  0.00           H  
HETATM   68  H   UNL     1       6.347  -1.196  -0.979  1.00  0.00           H  
HETATM   69  H   UNL     1       7.923   2.470  -2.214  1.00  0.00           H  
HETATM   70  H   UNL     1       6.482   1.603  -1.631  1.00  0.00           H  
HETATM   71  H   UNL     1       6.244   3.945  -1.025  1.00  0.00           H  
HETATM   72  H   UNL     1       6.570   3.023   0.463  1.00  0.00           H  
HETATM   73  H   UNL     1       7.870   3.969  -0.300  1.00  0.00           H  
HETATM   74  H   UNL     1       9.913   2.580  -0.502  1.00  0.00           H  
HETATM   75  H   UNL     1      11.350   1.093   0.832  1.00  0.00           H  
HETATM   76  H   UNL     1      10.509  -1.098   1.574  1.00  0.00           H  
HETATM   77  H   UNL     1       8.615  -2.490   2.020  1.00  0.00           H  
HETATM   78  H   UNL     1       7.013  -2.104   1.346  1.00  0.00           H  
HETATM   79  H   UNL     1       7.754  -2.910  -0.878  1.00  0.00           H  
HETATM   80  H   UNL     1       9.356  -3.296  -0.205  1.00  0.00           H  
HETATM   81  H   UNL     1       7.919  -4.187   0.351  1.00  0.00           H  
HETATM   82  H   UNL     1       0.995   3.092   1.168  1.00  0.00           H  
HETATM   83  H   UNL     1       2.550   1.476   1.973  1.00  0.00           H  
CONECT    1    3    4                                                 
CONECT    2   30   30                                                 
CONECT    3    1   44   45   46                                       
CONECT    4    1   16   16    5                                       
CONECT    5    4    6    6   47                                       
CONECT    6    5    5   14    7                                       
CONECT    7    6    8   13                                            
CONECT    8    7    9   48   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   12   11                                            
CONECT   11   10   52   53   54                                       
CONECT   12   13   10   55   56                                       
CONECT   13    7   12   57   58                                       
CONECT   14   15   15    6   59                                       
CONECT   15   16   14   14   60                                       
CONECT   16   17    4    4   15                                       
CONECT   17   18   16   61                                            
CONECT   18   19   19   17   43                                       
CONECT   19   20   18   18                                            
CONECT   20   19   21   21   62                                       
CONECT   21   22   20   20   42                                       
CONECT   22   21   23   63   82                                       
CONECT   23   22   24   64   83                                       
CONECT   24   23   25   25   29                                       
CONECT   25   42   24   24   26                                       
CONECT   26   25   28   27                                            
CONECT   27   26   65   66   67                                       
CONECT   28   29   29   26                                            
CONECT   29   24   30   28   28                                       
CONECT   30    2    2   29   31                                       
CONECT   31   30   32   68                                            
CONECT   32   33   31   39   39                                       
CONECT   33   34   36   36   32                                       
CONECT   34   33   35   69   70                                       
CONECT   35   34   71   72   73                                       
CONECT   36   33   33   37   74                                       
CONECT   37   36   38   38   75                                       
CONECT   38   37   37   39   76                                       
CONECT   39   32   32   38   40                                       
CONECT   40   39   41   77   78                                       
CONECT   41   40   79   80   81                                       
CONECT   42   21   43   43   25                                       
CONECT   43   18   42   42                                            
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   31                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
