COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.195  -1.796  -0.115  1.00  0.00           C  
HETATM    2  C   UNL     1       0.477  -3.231  -0.126  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.145  -1.164  -0.157  1.00  0.00           C  
HETATM    4  N   UNL     1       1.348  -1.171  -0.055  1.00  0.00           N  
HETATM    5  C   UNL     1       1.878  -3.363  -0.075  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.305  -4.397  -0.187  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.384  -0.093  -1.017  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.168  -1.641   0.662  1.00  0.00           C  
HETATM    9  N   UNL     1       2.392  -2.101  -0.029  1.00  0.00           N  
HETATM   10  N   UNL     1       2.405  -4.587  -0.077  1.00  0.00           N  
HETATM   11  N   UNL     1       0.315  -5.573  -0.184  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.683  -4.322  -0.242  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.636   0.494  -1.055  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.415  -1.053   0.622  1.00  0.00           C  
HETATM   15  C   UNL     1       3.818  -1.771   0.037  1.00  0.00           C  
HETATM   16  C   UNL     1       1.633  -5.650  -0.131  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.654   0.017  -0.230  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.872   1.540  -1.892  1.00  0.00           O  
HETATM   19  C   UNL     1       4.204  -0.929  -1.181  1.00  0.00           C  
HETATM   20  C   UNL     1       4.099  -0.978   1.315  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.920   0.611  -0.268  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.651   1.794  -2.589  1.00  0.00           C  
HETATM   23  C   UNL     1       5.693  -0.584  -1.112  1.00  0.00           C  
HETATM   24  C   UNL     1       5.588  -0.633   1.384  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.776   0.440   0.759  1.00  0.00           C  
HETATM   26  C   UNL     1       5.973   0.209   0.166  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.154   0.942   0.659  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.408  -0.131   1.769  1.00  0.00           O  
HETATM   29  N   UNL     1       7.403   0.541   0.233  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.732   1.473  -0.477  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.060   0.964   1.672  1.00  0.00           C  
HETATM   32  C   UNL     1       7.583   1.398   1.410  1.00  0.00           C  
HETATM   33  C   UNL     1       7.703   1.352  -0.952  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.029   1.830  -0.189  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.074   1.628  -1.777  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.259   1.521   1.166  1.00  0.00           C  
HETATM   37  C   UNL     1       9.063   1.765   1.556  1.00  0.00           C  
HETATM   38  C   UNL     1       9.191   1.716  -0.961  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.051   2.397  -0.945  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.511   1.788   1.735  1.00  0.00           C  
HETATM   41  N   UNL     1       9.511   2.396   0.304  1.00  0.00           N  
HETATM   42  C   UNL     1     -11.273   2.651  -0.362  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.497   2.345   0.974  1.00  0.00           C  
HETATM   44  C   UNL     1      10.193   3.559   0.316  1.00  0.00           C  
HETATM   45  C   UNL     1      10.529   4.248  -0.981  1.00  0.00           C  
HETATM   46  O   UNL     1      10.535   4.050   1.371  1.00  0.00           O  
HETATM   47  H   UNL     1      -0.593   0.278  -1.653  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.983  -2.471   1.328  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.217  -5.124  -0.128  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.117  -3.468  -0.395  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.206  -1.424   1.256  1.00  0.00           H  
HETATM   52  H   UNL     1       4.404  -2.690   0.044  1.00  0.00           H  
HETATM   53  H   UNL     1       2.095  -6.626  -0.131  1.00  0.00           H  
HETATM   54  H   UNL     1       4.004  -1.494  -2.091  1.00  0.00           H  
HETATM   55  H   UNL     1       3.618  -0.010  -1.188  1.00  0.00           H  
HETATM   56  H   UNL     1       3.513  -0.059   1.308  1.00  0.00           H  
HETATM   57  H   UNL     1       3.824  -1.577   2.183  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.182   1.146  -1.034  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.792   2.629  -3.276  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.868   2.042  -1.873  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.362   0.906  -3.151  1.00  0.00           H  
HETATM   62  H   UNL     1       6.279  -1.503  -1.105  1.00  0.00           H  
HETATM   63  H   UNL     1       5.967   0.016  -1.979  1.00  0.00           H  
HETATM   64  H   UNL     1       6.174  -1.552   1.391  1.00  0.00           H  
HETATM   65  H   UNL     1       5.788  -0.067   2.295  1.00  0.00           H  
HETATM   66  H   UNL     1       5.387   1.128   0.160  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.895   0.618   2.682  1.00  0.00           H  
HETATM   68  H   UNL     1       6.993   2.308   1.289  1.00  0.00           H  
HETATM   69  H   UNL     1       7.250   0.866   2.301  1.00  0.00           H  
HETATM   70  H   UNL     1       7.463   0.785  -1.851  1.00  0.00           H  
HETATM   71  H   UNL     1       7.107   2.264  -0.928  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.503   2.556  -1.787  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.402   0.786  -1.946  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.827   1.655  -2.565  1.00  0.00           H  
HETATM   75  H   UNL     1       9.188   2.463   2.384  1.00  0.00           H  
HETATM   76  H   UNL     1       9.647   0.865   1.743  1.00  0.00           H  
HETATM   77  H   UNL     1       9.401   2.382  -1.799  1.00  0.00           H  
HETATM   78  H   UNL     1       9.790   0.810  -1.053  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.886   2.637  -1.985  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.695   1.554   2.773  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.064   3.091  -0.951  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.461   2.551   1.415  1.00  0.00           H  
HETATM   83  H   UNL     1      10.063   3.713  -1.808  1.00  0.00           H  
HETATM   84  H   UNL     1      10.156   5.273  -0.955  1.00  0.00           H  
HETATM   85  H   UNL     1      11.610   4.258  -1.117  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    5    6                                       
CONECT    3    1    7    7    8                                       
CONECT    4    1    1    9                                            
CONECT    5    2    2    9   10                                       
CONECT    6    2   11   11   12                                       
CONECT    7    3    3   13   47                                       
CONECT    8    3   14   14   48                                       
CONECT    9    4    5   15                                            
CONECT   10    5   16   16                                            
CONECT   11    6    6   16                                            
CONECT   12    6   49   50                                            
CONECT   13    7   17   17   18                                       
CONECT   14    8    8   17   51                                       
CONECT   15    9   19   20   52                                       
CONECT   16   10   10   11   53                                       
CONECT   17   13   13   14   21                                       
CONECT   18   13   22                                                 
CONECT   19   15   23   54   55                                       
CONECT   20   15   24   56   57                                       
CONECT   21   17   25   58                                            
CONECT   22   18   59   60   61                                       
CONECT   23   19   26   62   63                                       
CONECT   24   20   26   64   65                                       
CONECT   25   21   27   28   28                                       
CONECT   26   23   24   29   66                                       
CONECT   27   25   30   31   31                                       
CONECT   28   25   25                                                 
CONECT   29   26   32   33                                            
CONECT   30   27   34   35                                            
CONECT   31   27   27   36   67                                       
CONECT   32   29   37   68   69                                       
CONECT   33   29   38   70   71                                       
CONECT   34   30   36   36   39                                       
CONECT   35   30   72   73   74                                       
CONECT   36   31   34   34   40                                       
CONECT   37   32   41   75   76                                       
CONECT   38   33   41   77   78                                       
CONECT   39   34   42   42   79                                       
CONECT   40   36   43   43   80                                       
CONECT   41   37   38   44                                            
CONECT   42   39   39   43   81                                       
CONECT   43   40   40   42   82                                       
CONECT   44   41   45   46   46                                       
CONECT   45   44   83   84   85                                       
CONECT   46   44   44                                                 
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
