COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.682  -0.104  -1.713  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.289   0.132  -2.831  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.780  -0.806  -0.731  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.459  -2.088  -0.243  1.00  0.00           C  
HETATM    5  N   UNL     1       0.490  -1.144  -1.387  1.00  0.00           N  
HETATM    6  C   UNL     1       1.587  -1.201  -0.412  1.00  0.00           C  
HETATM    7  O   UNL     1       1.980   0.127  -0.058  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.490  -2.880   0.598  1.00  0.00           C  
HETATM    9  C   UNL     1       0.040  -4.061   0.114  1.00  0.00           C  
HETATM   10  C   UNL     1       0.928  -4.787   0.886  1.00  0.00           C  
HETATM   11  C   UNL     1       1.286  -4.332   2.141  1.00  0.00           C  
HETATM   12  C   UNL     1       0.756  -3.151   2.625  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.129  -2.422   1.852  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.668  -1.733   0.584  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.847  -2.436   0.421  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.956  -2.111   1.179  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.886  -1.082   2.099  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.707  -0.379   2.263  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.596  -0.708   1.508  1.00  0.00           C  
HETATM   20  N   UNL     1       2.731  -1.909  -1.003  1.00  0.00           N  
HETATM   21  C   UNL     1       3.806  -2.089  -0.016  1.00  0.00           C  
HETATM   22  C   UNL     1       4.950  -2.881  -0.655  1.00  0.00           C  
HETATM   23  O   UNL     1       5.400  -2.197  -1.827  1.00  0.00           O  
HETATM   24  C   UNL     1       4.379  -2.004  -2.809  1.00  0.00           C  
HETATM   25  C   UNL     1       3.230  -1.203  -2.192  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.728   3.337   0.545  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.319   2.407  -0.125  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.255   1.394  -0.623  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.613   1.403  -0.462  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.116   0.255  -1.090  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.073  -0.424  -1.616  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.925   0.262  -1.344  1.00  0.00           N  
HETATM   33  C   UNL     1       5.441   3.028   3.006  1.00  0.00           C  
HETATM   34  O   UNL     1       4.260   3.641   2.486  1.00  0.00           O  
HETATM   35  C   UNL     1       3.385   2.736   1.808  1.00  0.00           C  
HETATM   36  C   UNL     1       2.161   3.497   1.296  1.00  0.00           C  
HETATM   37  C   UNL     1       1.225   2.529   0.570  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.056   3.262   0.169  1.00  0.00           C  
HETATM   39  B   UNL     1       0.284   4.368  -0.892  1.00  0.00           B  
HETATM   40  O   UNL     1       0.773   3.997  -2.173  1.00  0.00           O  
HETATM   41  O   UNL     1       0.103   5.740  -0.571  1.00  0.00           O  
HETATM   42  N   UNL     1      -1.005   2.307  -0.409  1.00  0.00           N  
HETATM   43  H   UNL     1      -0.587  -0.151   0.119  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.767  -2.685  -1.101  1.00  0.00           H  
HETATM   45  H   UNL     1       0.414  -2.011  -1.897  1.00  0.00           H  
HETATM   46  H   UNL     1       1.254  -1.731   0.480  1.00  0.00           H  
HETATM   47  H   UNL     1       2.417   0.611  -0.772  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.239  -4.416  -0.867  1.00  0.00           H  
HETATM   49  H   UNL     1       1.342  -5.710   0.507  1.00  0.00           H  
HETATM   50  H   UNL     1       1.979  -4.900   2.744  1.00  0.00           H  
HETATM   51  H   UNL     1       1.035  -2.795   3.606  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.540  -1.497   2.228  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.901  -3.240  -0.299  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.877  -2.659   1.051  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.753  -0.827   2.691  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.653   0.425   2.982  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.674  -0.161   1.638  1.00  0.00           H  
HETATM   58  H   UNL     1       4.173  -1.115   0.305  1.00  0.00           H  
HETATM   59  H   UNL     1       3.421  -2.636   0.845  1.00  0.00           H  
HETATM   60  H   UNL     1       5.773  -2.969   0.055  1.00  0.00           H  
HETATM   61  H   UNL     1       4.596  -3.876  -0.927  1.00  0.00           H  
HETATM   62  H   UNL     1       4.790  -1.457  -3.658  1.00  0.00           H  
HETATM   63  H   UNL     1       4.010  -2.973  -3.145  1.00  0.00           H  
HETATM   64  H   UNL     1       2.424  -1.103  -2.920  1.00  0.00           H  
HETATM   65  H   UNL     1       3.587  -0.214  -1.906  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.191   2.155   0.053  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.155  -0.035  -1.144  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.137  -1.353  -2.163  1.00  0.00           H  
HETATM   69  H   UNL     1       5.163   2.252   3.720  1.00  0.00           H  
HETATM   70  H   UNL     1       6.009   2.583   2.189  1.00  0.00           H  
HETATM   71  H   UNL     1       6.051   3.780   3.506  1.00  0.00           H  
HETATM   72  H   UNL     1       3.911   2.285   0.966  1.00  0.00           H  
HETATM   73  H   UNL     1       3.066   1.955   2.497  1.00  0.00           H  
HETATM   74  H   UNL     1       1.635   3.948   2.138  1.00  0.00           H  
HETATM   75  H   UNL     1       2.481   4.279   0.607  1.00  0.00           H  
HETATM   76  H   UNL     1       1.720   2.147  -0.323  1.00  0.00           H  
HETATM   77  H   UNL     1       0.977   1.699   1.231  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.500   3.727   1.049  1.00  0.00           H  
HETATM   79  H   UNL     1       0.863   3.043  -2.298  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.160   5.898   0.346  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.688   1.603  -0.996  1.00  0.00           H  
CONECT    1   32    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    5   43                                       
CONECT    4    3    8   14   44                                       
CONECT    5    3    6   45                                            
CONECT    6    5    7   20   46                                       
CONECT    7    6   47                                                 
CONECT    8    4    9    9   13                                       
CONECT    9    8    8   10   48                                       
CONECT   10    9   11   11   49                                       
CONECT   11   10   10   12   50                                       
CONECT   12   11   13   13   51                                       
CONECT   13    8   12   12   52                                       
CONECT   14    4   15   15   19                                       
CONECT   15   14   14   16   53                                       
CONECT   16   15   17   17   54                                       
CONECT   17   16   16   18   55                                       
CONECT   18   17   19   19   56                                       
CONECT   19   14   18   18   57                                       
CONECT   20    6   21   25                                            
CONECT   21   20   22   58   59                                       
CONECT   22   21   23   60   61                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   62   63                                       
CONECT   25   20   24   64   65                                       
CONECT   26   27   27                                                 
CONECT   27   42   26   26   28                                       
CONECT   28   27   29   29   32                                       
CONECT   29   28   28   30   66                                       
CONECT   30   29   31   31   67                                       
CONECT   31   30   30   32   68                                       
CONECT   32   28   31    1                                            
CONECT   33   34   69   70   71                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   72   73                                       
CONECT   36   35   37   74   75                                       
CONECT   37   36   38   76   77                                       
CONECT   38   37   39   42   78                                       
CONECT   39   38   40   41                                            
CONECT   40   39   79                                                 
CONECT   41   39   80                                                 
CONECT   42   38   27   81                                            
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
