COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.846  -0.862   0.279  1.00  0.00           C  
HETATM    2  O   UNL     1       1.844  -1.592   1.253  1.00  0.00           O  
HETATM    3  C   UNL     1       3.101  -0.571  -0.414  1.00  0.00           C  
HETATM    4  C   UNL     1       4.258  -1.113   0.027  1.00  0.00           C  
HETATM    5  C   UNL     1       5.513  -0.822  -0.666  1.00  0.00           C  
HETATM    6  C   UNL     1       6.655  -1.357  -0.231  1.00  0.00           C  
HETATM    7  C   UNL     1       7.948  -1.058  -0.945  1.00  0.00           C  
HETATM    8  C   UNL     1       8.964  -0.499   0.053  1.00  0.00           C  
HETATM    9  C   UNL     1      10.277  -0.195  -0.672  1.00  0.00           C  
HETATM   10  C   UNL     1      11.293   0.364   0.326  1.00  0.00           C  
HETATM   11  C   UNL     1      12.606   0.668  -0.399  1.00  0.00           C  
HETATM   12  C   UNL     1      13.622   1.226   0.599  1.00  0.00           C  
HETATM   13  C   UNL     1      14.935   1.531  -0.126  1.00  0.00           C  
HETATM   14  N   UNL     1       0.692  -0.326  -0.164  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.566  -0.622   0.526  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.717  -0.457  -0.433  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.597   0.255  -1.408  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.741   0.341   1.702  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.758   1.686   1.219  1.00  0.00           O  
HETATM   20  C   UNL     1       0.421   0.166   2.682  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.879  -1.101  -0.208  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.955  -1.033  -1.194  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.793   0.203  -0.998  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.767   0.370  -1.709  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.818  -2.288  -1.140  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.654  -2.376   0.130  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.343  -1.330   1.038  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.141  -2.361  -0.226  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.885  -1.293   0.572  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.807  -0.015  -0.168  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.455   1.074   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.567   2.522  -0.292  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.427   2.830  -1.777  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.863   3.083   0.278  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.090   2.344  -0.241  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.272   1.045   0.504  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.957   0.950   1.668  1.00  0.00           O  
HETATM   38  H   UNL     1       3.103   0.077  -1.278  1.00  0.00           H  
HETATM   39  H   UNL     1       4.256  -1.761   0.891  1.00  0.00           H  
HETATM   40  H   UNL     1       5.515  -0.174  -1.531  1.00  0.00           H  
HETATM   41  H   UNL     1       6.653  -2.005   0.633  1.00  0.00           H  
HETATM   42  H   UNL     1       8.339  -1.974  -1.388  1.00  0.00           H  
HETATM   43  H   UNL     1       7.768  -0.323  -1.730  1.00  0.00           H  
HETATM   44  H   UNL     1       8.573   0.417   0.496  1.00  0.00           H  
HETATM   45  H   UNL     1       9.144  -1.234   0.838  1.00  0.00           H  
HETATM   46  H   UNL     1      10.668  -1.111  -1.115  1.00  0.00           H  
HETATM   47  H   UNL     1      10.097   0.540  -1.457  1.00  0.00           H  
HETATM   48  H   UNL     1      10.902   1.280   0.769  1.00  0.00           H  
HETATM   49  H   UNL     1      11.473  -0.371   1.111  1.00  0.00           H  
HETATM   50  H   UNL     1      12.997  -0.248  -0.842  1.00  0.00           H  
HETATM   51  H   UNL     1      12.426   1.403  -1.184  1.00  0.00           H  
HETATM   52  H   UNL     1      13.231   2.142   1.042  1.00  0.00           H  
HETATM   53  H   UNL     1      13.802   0.492   1.384  1.00  0.00           H  
HETATM   54  H   UNL     1      15.659   1.929   0.585  1.00  0.00           H  
HETATM   55  H   UNL     1      15.326   0.615  -0.569  1.00  0.00           H  
HETATM   56  H   UNL     1      14.754   2.265  -0.911  1.00  0.00           H  
HETATM   57  H   UNL     1       0.693   0.256  -0.940  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.545  -1.647   0.896  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.681   0.126   2.211  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.471   1.869   0.592  1.00  0.00           H  
HETATM   61  H   UNL     1       1.350   0.477   2.203  1.00  0.00           H  
HETATM   62  H   UNL     1       0.246   0.778   3.567  1.00  0.00           H  
HETATM   63  H   UNL     1       0.496  -0.882   2.974  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.001  -1.610   0.609  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.498  -0.974  -2.196  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.477  -2.312  -2.015  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.164  -3.169  -1.198  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.433  -3.338   0.622  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.766  -1.421   1.902  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.255  -2.157  -1.294  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.574  -3.342  -0.013  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.939  -1.589   0.662  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.470  -1.193   1.570  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.125   0.072  -1.082  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.111   0.776   0.867  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.727   3.027   0.228  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.212   2.315  -2.330  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.516   3.905  -1.935  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.452   2.491  -2.128  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.829   3.007   1.369  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.939   4.144   0.022  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.977   2.965  -0.078  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.002   2.148  -1.306  1.00  0.00           H  
CONECT    1    2    2    3   14                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9   44   45                                       
CONECT    9    8   10   46   47                                       
CONECT   10    9   11   48   49                                       
CONECT   11   10   12   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   54   55   56                                       
CONECT   14   15   57    1                                            
CONECT   15   14   16   18   58                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   59                                       
CONECT   19   18   60                                                 
CONECT   20   18   61   62   63                                       
CONECT   21   22   64   16                                            
CONECT   22   21   23   25   65                                       
CONECT   23   22   24   24   31                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   66   67                                       
CONECT   26   25   27   28   68                                       
CONECT   27   26   69                                                 
CONECT   28   26   29   70   71                                       
CONECT   29   28   30   72   73                                       
CONECT   30   29   74   36                                            
CONECT   31   32   75   23                                            
CONECT   32   34   33   31   76                                       
CONECT   33   32   77   78   79                                       
CONECT   34   35   32   80   81                                       
CONECT   35   34   36   82   83                                       
CONECT   36   37   37   35   30                                       
CONECT   37   36   36                                                 
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
