COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.104  -0.022   0.756  1.00  0.00           O  
HETATM    2  C   UNL     1       8.900  -0.021   0.124  1.00  0.00           C  
HETATM    3  C   UNL     1       7.724  -0.022   0.868  1.00  0.00           C  
HETATM    4  O   UNL     1       7.775  -0.020   2.225  1.00  0.00           O  
HETATM    5  C   UNL     1       8.843  -0.024  -1.259  1.00  0.00           C  
HETATM    6  C   UNL     1       7.620  -0.023  -1.909  1.00  0.00           C  
HETATM    7  C   UNL     1       6.447  -0.019  -1.186  1.00  0.00           C  
HETATM    8  C   UNL     1       6.488  -0.016   0.211  1.00  0.00           C  
HETATM    9  C   UNL     1       5.234  -0.012   0.989  1.00  0.00           C  
HETATM   10  O   UNL     1       5.273  -0.010   2.204  1.00  0.00           O  
HETATM   11  N   UNL     1       4.046  -0.011   0.352  1.00  0.00           N  
HETATM   12  C   UNL     1       2.801  -0.007   1.125  1.00  0.00           C  
HETATM   13  C   UNL     1       1.625  -0.006   0.182  1.00  0.00           C  
HETATM   14  C   UNL     1       1.083  -1.203  -0.247  1.00  0.00           C  
HETATM   15  C   UNL     1       1.085   1.192  -0.248  1.00  0.00           C  
HETATM   16  C   UNL     1       0.009   1.192  -1.116  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.576   2.498  -1.589  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.630   2.924  -0.665  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.299   4.073  -0.889  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.028   4.755  -1.858  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.360   4.502   0.042  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.674   3.721   1.158  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.666   4.125   2.024  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.356   5.304   1.798  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.056   6.089   0.697  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.737   7.246   0.481  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.053   5.697  -0.184  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.756   6.464  -1.264  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.533  -0.005  -1.546  1.00  0.00           C  
HETATM   30  C   UNL     1       0.005  -1.202  -1.112  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.586  -2.507  -1.581  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.641  -2.926  -0.655  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.314  -4.073  -0.875  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.046  -4.759  -1.842  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.377  -4.495   0.057  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.688  -3.709   1.170  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.681  -4.106   2.039  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.375  -5.284   1.816  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.078  -6.074   0.718  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.764  -7.229   0.506  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.082  -5.682  -0.171  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.788  -6.454  -1.249  1.00  0.00           O  
HETATM   43  H   UNL     1      10.354   0.904   0.883  1.00  0.00           H  
HETATM   44  H   UNL     1       7.780  -0.945   2.506  1.00  0.00           H  
HETATM   45  H   UNL     1       9.757  -0.027  -1.834  1.00  0.00           H  
HETATM   46  H   UNL     1       7.586  -0.025  -2.989  1.00  0.00           H  
HETATM   47  H   UNL     1       5.497  -0.018  -1.699  1.00  0.00           H  
HETATM   48  H   UNL     1       4.015  -0.013  -0.617  1.00  0.00           H  
HETATM   49  H   UNL     1       2.762  -0.895   1.755  1.00  0.00           H  
HETATM   50  H   UNL     1       2.765   0.885   1.751  1.00  0.00           H  
HETATM   51  H   UNL     1       1.503  -2.138   0.092  1.00  0.00           H  
HETATM   52  H   UNL     1       1.508   2.127   0.088  1.00  0.00           H  
HETATM   53  H   UNL     1       0.206   3.256  -1.623  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.998   2.366  -2.585  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.846   2.380   0.109  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.140   2.800   1.340  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.907   3.518   2.885  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.131   5.613   2.482  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.251   7.947   0.937  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.071   7.088  -0.985  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.375  -0.004  -2.221  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.007  -2.377  -2.578  1.00  0.00           H  
HETATM   63  H   UNL     1       0.194  -3.268  -1.612  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.855  -2.379   0.116  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.150  -2.789   1.349  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.918  -3.497   2.898  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.151  -5.588   2.502  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.530  -7.003  -0.040  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.356  -6.153  -1.972  1.00  0.00           H  
CONECT    1    2   43                                                 
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4    8                                       
CONECT    4    3   44                                                 
CONECT    5    2    6    6   45                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6    8    8   47                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   48                                            
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   30   51                                       
CONECT   15   13   16   16   52                                       
CONECT   16   15   15   17   29                                       
CONECT   17   16   18   53   54                                       
CONECT   18   17   19   55                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   22   27                                       
CONECT   22   21   21   23   56                                       
CONECT   23   22   24   24   57                                       
CONECT   24   23   23   25   58                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25   59                                                 
CONECT   27   21   25   25   28                                       
CONECT   28   27   60                                                 
CONECT   29   16   30   30   61                                       
CONECT   30   14   29   29   31                                       
CONECT   31   30   32   62   63                                       
CONECT   32   31   33   64                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   36   41                                       
CONECT   36   35   35   37   65                                       
CONECT   37   36   38   38   66                                       
CONECT   38   37   37   39   67                                       
CONECT   39   38   40   41   41                                       
CONECT   40   39   68                                                 
CONECT   41   35   39   39   42                                       
CONECT   42   41   69                                                 
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   40                                                      
CONECT   69   42                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
