COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.036   0.296  -2.710  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.547   0.561  -2.945  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.311   0.873  -4.424  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.274   0.043  -1.218  1.00  0.00           C  
HETATM    5  C   UNL     1       8.504  -1.336   0.671  1.00  0.00           C  
HETATM    6  C   UNL     1       9.085  -1.722  -0.516  1.00  0.00           C  
HETATM    7  C   UNL     1       8.620  -2.870  -1.179  1.00  0.00           C  
HETATM    8  N   UNL     1       9.181  -3.256  -2.339  1.00  0.00           N1+
HETATM    9  O   UNL     1       8.774  -4.252  -2.910  1.00  0.00           O  
HETATM   10  O   UNL     1      10.095  -2.609  -2.818  1.00  0.00           O  
HETATM   11  C   UNL     1       7.565  -3.613  -0.622  1.00  0.00           C  
HETATM   12  C   UNL     1       6.999  -3.209   0.567  1.00  0.00           C  
HETATM   13  C   UNL     1       7.465  -2.075   1.212  1.00  0.00           C  
HETATM   14  C   UNL     1       6.841  -1.647   2.516  1.00  0.00           C  
HETATM   15  O   UNL     1       5.756  -0.756   2.254  1.00  0.00           O  
HETATM   16  C   UNL     1       5.092  -0.287   3.430  1.00  0.00           C  
HETATM   17  C   UNL     1       3.971   0.640   3.038  1.00  0.00           C  
HETATM   18  C   UNL     1       3.614   0.994   1.781  1.00  0.00           C  
HETATM   19  N   UNL     1       3.129   1.272   3.864  1.00  0.00           N  
HETATM   20  N   UNL     1       2.309   1.974   3.165  1.00  0.00           N  
HETATM   21  N   UNL     1       2.560   1.833   1.911  1.00  0.00           N  
HETATM   22  C   UNL     1       1.834   2.474   0.812  1.00  0.00           C  
HETATM   23  C   UNL     1       0.342   2.149   0.927  1.00  0.00           C  
HETATM   24  O   UNL     1       0.150   0.738   0.802  1.00  0.00           O  
HETATM   25  O   UNL     1       2.018   3.889   0.881  1.00  0.00           O  
HETATM   26  C   UNL     1       1.369   4.614  -0.165  1.00  0.00           C  
HETATM   27  C   UNL     1       1.657   6.108  -0.006  1.00  0.00           C  
HETATM   28  O   UNL     1       3.054   6.346  -0.192  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.141   4.375  -0.090  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.787   5.053  -1.169  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.418   2.872  -0.189  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.819   2.633  -0.046  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.286   1.476  -0.743  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.765   1.248  -0.421  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.915   0.993   0.978  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.132   1.674  -2.150  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.909   1.006  -4.664  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.441  -0.852  -3.459  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.672  -0.133  -0.979  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.969  -0.995   0.121  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.520  -2.319  -0.176  1.00  0.00           O  
HETATM   42  C   UNL     1      -5.747  -3.261   0.874  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.204  -4.629   0.458  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.783  -4.555   0.317  1.00  0.00           O  
HETATM   45  C   UNL     1      -7.250  -3.369   1.145  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.476  -4.267   2.233  1.00  0.00           O  
HETATM   47  C   UNL     1      -7.798  -1.984   1.502  1.00  0.00           C  
HETATM   48  O   UNL     1      -9.213  -2.062   1.684  1.00  0.00           O  
HETATM   49  C   UNL     1      -7.481  -1.012   0.361  1.00  0.00           C  
HETATM   50  O   UNL     1      -7.924   0.300   0.715  1.00  0.00           O  
HETATM   51  H   UNL     1      -4.615   1.162  -3.030  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.972  -0.321  -2.663  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.709   0.063  -5.034  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.814   1.805  -4.683  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.734  -0.852  -0.910  1.00  0.00           H  
HETATM   56  H   UNL     1       8.863  -0.456   1.185  1.00  0.00           H  
HETATM   57  H   UNL     1       9.895  -1.143  -0.936  1.00  0.00           H  
HETATM   58  H   UNL     1       7.200  -4.497  -1.123  1.00  0.00           H  
HETATM   59  H   UNL     1       6.188  -3.778   0.997  1.00  0.00           H  
HETATM   60  H   UNL     1       6.472  -2.524   3.047  1.00  0.00           H  
HETATM   61  H   UNL     1       7.589  -1.140   3.127  1.00  0.00           H  
HETATM   62  H   UNL     1       4.686  -1.136   3.980  1.00  0.00           H  
HETATM   63  H   UNL     1       5.803   0.247   4.060  1.00  0.00           H  
HETATM   64  H   UNL     1       4.077   0.672   0.861  1.00  0.00           H  
HETATM   65  H   UNL     1       2.214   2.104  -0.140  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.029   2.482   1.896  1.00  0.00           H  
HETATM   67  H   UNL     1       0.608   0.217   1.475  1.00  0.00           H  
HETATM   68  H   UNL     1       1.743   4.273  -1.130  1.00  0.00           H  
HETATM   69  H   UNL     1       1.092   6.669  -0.750  1.00  0.00           H  
HETATM   70  H   UNL     1       1.363   6.431   0.993  1.00  0.00           H  
HETATM   71  H   UNL     1       3.310   7.275  -0.105  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.523   4.753   0.859  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.650   6.010  -1.170  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.081   2.502  -1.158  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.708   0.606  -0.433  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.339   2.134  -0.693  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.612   1.716   1.544  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.684   1.205  -5.584  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.318  -0.762  -4.414  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.463  -0.631   1.015  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.238  -2.927   1.778  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.455  -5.367   1.220  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.648  -4.923  -0.493  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.370  -5.388   0.055  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.755  -3.741   0.253  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.409  -4.384   2.460  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.329  -1.632   2.421  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.627  -1.218   1.913  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.990  -1.337  -0.546  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.754   0.969   0.037  1.00  0.00           H  
HETATM   91  H   UNL     1       9.208  -4.489  -3.741  1.00  0.00           H  
CONECT    1   38    4    2   51                                       
CONECT    2    1    3   36   52                                       
CONECT    3    2   37   53   54                                       
CONECT    4    1   39   34   55                                       
CONECT    5    6    6   13   56                                       
CONECT    6    5    5    7   57                                       
CONECT    7    6    8   11   11                                       
CONECT    8    9    7   10   10                                       
CONECT    9    8   91                                                 
CONECT   10    8    8                                                 
CONECT   11    7    7   12   58                                       
CONECT   12   13   13   11   59                                       
CONECT   13    5   14   12   12                                       
CONECT   14   13   15   60   61                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   62   63                                       
CONECT   17   18   18   19   16                                       
CONECT   18   21   17   17   64                                       
CONECT   19   20   20   17                                            
CONECT   20   21   19   19                                            
CONECT   21   22   18   20                                            
CONECT   22   23   21   25   65                                       
CONECT   23   24   31   22   66                                       
CONECT   24   23   67                                                 
CONECT   25   22   26                                                 
CONECT   26   29   25   27   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   27   71                                                 
CONECT   29   31   30   26   72                                       
CONECT   30   29   73                                                 
CONECT   31   32   23   29   74                                       
CONECT   32   33   31                                                 
CONECT   33   34   36   32   75                                       
CONECT   34    4   35   33   76                                       
CONECT   35   34   77                                                 
CONECT   36    2   33                                                 
CONECT   37    3   78                                                 
CONECT   38    1   79                                                 
CONECT   39   40    4                                                 
CONECT   40   41   49   39   80                                       
CONECT   41   42   40                                                 
CONECT   42   43   45   41   81                                       
CONECT   43   44   42   82   83                                       
CONECT   44   43   84                                                 
CONECT   45   46   42   47   85                                       
CONECT   46   45   86                                                 
CONECT   47   45   48   49   87                                       
CONECT   48   47   88                                                 
CONECT   49   47   40   50   89                                       
CONECT   50   49   90                                                 
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   49                                                      
CONECT   90   50                                                      
CONECT   91    9                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
