COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.101   0.471  -1.764  1.00  0.00           O  
HETATM    2  C   UNL     1       5.848   0.904  -1.231  1.00  0.00           C  
HETATM    3  C   UNL     1       5.415   2.204  -1.921  1.00  0.00           C  
HETATM    4  O   UNL     1       4.269   2.724  -1.238  1.00  0.00           O  
HETATM    5  C   UNL     1       5.992   1.178   0.272  1.00  0.00           C  
HETATM    6  O   UNL     1       4.790   1.798   0.741  1.00  0.00           O  
HETATM    7  B   UNL     1       4.472   2.956   0.091  1.00  0.00           B  
HETATM    8  O   UNL     1       5.468   3.878   0.261  1.00  0.00           O  
HETATM    9  C   UNL     1       4.975   5.076   0.876  1.00  0.00           C  
HETATM   10  C   UNL     1       3.719   4.656   1.683  1.00  0.00           C  
HETATM   11  C   UNL     1       3.130   3.573   0.734  1.00  0.00           C  
HETATM   12  N   UNL     1       2.392   2.557   1.488  1.00  0.00           N  
HETATM   13  C   UNL     1       1.269   2.019   0.973  1.00  0.00           C  
HETATM   14  O   UNL     1       0.869   2.376  -0.115  1.00  0.00           O  
HETATM   15  C   UNL     1       0.509   0.974   1.750  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.671   0.543   0.986  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.678   1.342   0.579  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.769   0.789  -0.302  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.049   1.398   0.067  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.202   0.749  -0.189  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.379   1.309   0.150  1.00  0.00           O  
HETATM   22  C   UNL     1      -7.581   0.553  -0.155  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.763   1.506  -0.430  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.010   0.847   0.184  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.543  -0.484   0.810  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.033  -0.267   1.078  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.180  -0.341  -0.725  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.454   1.109  -1.765  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.122   0.463  -2.153  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.567   0.559  -2.658  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.357   2.625  -1.946  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.706   2.505   0.922  1.00  0.00           O  
HETATM   33  C   UNL     1       1.397  -0.270   1.962  1.00  0.00           C  
HETATM   34  C   UNL     1       0.945  -1.219   0.820  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.570  -0.906   0.738  1.00  0.00           C  
HETATM   36  O   UNL     1       1.168  -2.586   1.171  1.00  0.00           O  
HETATM   37  C   UNL     1       1.427  -3.446   0.157  1.00  0.00           C  
HETATM   38  N   UNL     1       1.465  -3.012  -1.087  1.00  0.00           N  
HETATM   39  C   UNL     1       1.715  -3.809  -2.117  1.00  0.00           C  
HETATM   40  C   UNL     1       1.950  -5.140  -1.957  1.00  0.00           C  
HETATM   41  C   UNL     1       1.927  -5.682  -0.658  1.00  0.00           C  
HETATM   42  C   UNL     1       1.663  -4.810   0.429  1.00  0.00           C  
HETATM   43  C   UNL     1       2.159  -7.043  -0.412  1.00  0.00           C  
HETATM   44  C   UNL     1       2.123  -7.509   0.868  1.00  0.00           C  
HETATM   45  C   UNL     1       1.859  -6.653   1.935  1.00  0.00           C  
HETATM   46  C   UNL     1       1.640  -5.324   1.733  1.00  0.00           C  
HETATM   47  H   UNL     1       7.434  -0.348  -1.371  1.00  0.00           H  
HETATM   48  H   UNL     1       5.094   0.134  -1.393  1.00  0.00           H  
HETATM   49  H   UNL     1       6.227   2.930  -1.876  1.00  0.00           H  
HETATM   50  H   UNL     1       5.160   2.000  -2.960  1.00  0.00           H  
HETATM   51  H   UNL     1       6.150   0.239   0.802  1.00  0.00           H  
HETATM   52  H   UNL     1       6.838   1.845   0.442  1.00  0.00           H  
HETATM   53  H   UNL     1       2.500   4.024  -0.033  1.00  0.00           H  
HETATM   54  H   UNL     1       5.728   5.493   1.544  1.00  0.00           H  
HETATM   55  H   UNL     1       4.704   5.805   0.112  1.00  0.00           H  
HETATM   56  H   UNL     1       3.994   4.230   2.648  1.00  0.00           H  
HETATM   57  H   UNL     1       3.030   5.492   1.804  1.00  0.00           H  
HETATM   58  H   UNL     1       2.711   2.272   2.359  1.00  0.00           H  
HETATM   59  H   UNL     1       0.200   1.380   2.713  1.00  0.00           H  
HETATM   60  H   UNL     1       2.451  -0.015   1.856  1.00  0.00           H  
HETATM   61  H   UNL     1       1.204  -0.720   2.936  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.114  -1.461   1.503  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.955  -1.150  -0.253  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.829  -0.291  -0.171  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.067   2.269   0.494  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.412  -0.101  -1.011  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.581   2.472   0.041  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.898   1.633  -1.504  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.507  -1.221   1.121  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.881   0.300   1.996  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.434   1.493   0.953  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.751   0.654  -0.592  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.073  -0.673   1.743  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.692  -1.307   0.112  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.162  -0.606  -1.941  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.941   0.616  -3.216  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.316   0.918  -1.577  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.516   1.019  -2.381  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.343   0.786  -3.700  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.636  -0.521  -2.529  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.564   3.017  -1.309  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.133   2.853  -2.988  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.305   3.086  -1.669  1.00  0.00           H  
HETATM   84  H   UNL     1       1.446  -0.970  -0.116  1.00  0.00           H  
HETATM   85  H   UNL     1       1.732  -3.390  -3.112  1.00  0.00           H  
HETATM   86  H   UNL     1       2.150  -5.769  -2.812  1.00  0.00           H  
HETATM   87  H   UNL     1       2.364  -7.716  -1.231  1.00  0.00           H  
HETATM   88  H   UNL     1       1.437  -4.672   2.570  1.00  0.00           H  
HETATM   89  H   UNL     1       2.302  -8.557   1.058  1.00  0.00           H  
HETATM   90  H   UNL     1       1.836  -7.049   2.940  1.00  0.00           H  
CONECT    1    2   47                                                 
CONECT    2    1    3    5   48                                       
CONECT    3    2    4   49   50                                       
CONECT    4    3    7                                                 
CONECT    5    2    6   51   52                                       
CONECT    6    5    7                                                 
CONECT    7    4    6    8   11                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   54   55                                       
CONECT   10    9   11   56   57                                       
CONECT   11    7   10   12   53                                       
CONECT   12   11   13   58                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   33   59                                       
CONECT   16   15   17   35                                            
CONECT   17   16   18   32   32                                       
CONECT   18   17   19   28   64                                       
CONECT   19   18   20   65                                            
CONECT   20   19   21   27   27                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   26   66                                       
CONECT   23   22   24   67   68                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   26   73   74                                       
CONECT   26   22   25   69   70                                       
CONECT   27   20   20                                                 
CONECT   28   18   29   30   31                                       
CONECT   29   28   75   76   77                                       
CONECT   30   28   78   79   80                                       
CONECT   31   28   81   82   83                                       
CONECT   32   17   17                                                 
CONECT   33   15   34   60   61                                       
CONECT   34   33   35   36   84                                       
CONECT   35   16   34   62   63                                       
CONECT   36   34   37                                                 
CONECT   37   36   38   42   42                                       
CONECT   38   37   39   39                                            
CONECT   39   38   38   40   85                                       
CONECT   40   39   41   41   86                                       
CONECT   41   40   40   42   43                                       
CONECT   42   37   37   41   46                                       
CONECT   43   41   44   44   87                                       
CONECT   44   43   43   45   89                                       
CONECT   45   44   46   46   90                                       
CONECT   46   42   45   45   88                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53   11                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   15                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   34                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   43                                                      
CONECT   88   46                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
