COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.481  -0.779   3.614  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.636  -2.139   3.092  1.00  0.00           C  
HETATM    3  C   UNL     1       0.698  -2.623   2.524  1.00  0.00           C  
HETATM    4  C   UNL     1       1.133  -1.705   1.411  1.00  0.00           C  
HETATM    5  C   UNL     1       1.917  -0.601   1.694  1.00  0.00           C  
HETATM    6  C   UNL     1       0.747  -1.967   0.110  1.00  0.00           C  
HETATM    7  C   UNL     1       2.317   0.241   0.676  1.00  0.00           C  
HETATM    8  C   UNL     1       1.140  -1.123  -0.911  1.00  0.00           C  
HETATM    9  C   UNL     1       1.932  -0.019  -0.630  1.00  0.00           C  
HETATM   10  O   UNL     1       2.324   0.809  -1.634  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.558   0.095   3.603  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.385   1.433   3.997  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.478   2.305   3.975  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.715   1.846   3.580  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.883   0.524   3.197  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.814  -0.347   3.207  1.00  0.00           C  
HETATM   17  C   UNL     1       0.463   1.568   5.756  1.00  0.00           C  
HETATM   18  C   UNL     1       1.762   1.929   6.117  1.00  0.00           C  
HETATM   19  C   UNL     1       2.244   1.601   7.368  1.00  0.00           C  
HETATM   20  C   UNL     1       1.442   0.916   8.263  1.00  0.00           C  
HETATM   21  C   UNL     1       0.153   0.555   7.912  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.342   0.882   6.667  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.059   1.916   4.418  1.00  0.00           C  
HETATM   24  O   UNL     1       0.605   2.602   3.665  1.00  0.00           O  
HETATM   25  O   UNL     1       1.350  -0.504  -7.134  1.00  0.00           O  
HETATM   26  C   UNL     1       0.251   0.241  -6.930  1.00  0.00           C  
HETATM   27  N   UNL     1       0.407   0.921  -5.819  1.00  0.00           N  
HETATM   28  C   UNL     1       1.604   0.615  -5.294  1.00  0.00           C  
HETATM   29  C   UNL     1       2.199  -0.270  -6.114  1.00  0.00           C  
HETATM   30  C   UNL     1       3.559  -0.889  -5.923  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.934   0.289  -7.811  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.978  -0.485  -8.971  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.088  -0.436  -9.789  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.157   0.378  -9.461  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.120   1.149  -8.313  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.018   1.105  -7.484  1.00  0.00           C  
HETATM   37  C   UNL     1       1.776   0.281  -2.843  1.00  0.00           C  
HETATM   38  C   UNL     1       2.182   1.172  -4.019  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.756  -4.022   3.959  1.00  0.00           O  
HETATM   40  OXT UNL     1      -0.698  -2.804   5.469  1.00  0.00           O  
HETATM   41  C   UNL     1      -1.071  -3.058   4.205  1.00  0.00           C  
HETATM   42  H   UNL     1       0.374  -0.491   3.968  1.00  0.00           H  
HETATM   43  HA  UNL     1      -1.389  -2.142   2.304  1.00  0.00           H  
HETATM   44  H   UNL     1       0.582  -3.635   2.136  1.00  0.00           H  
HETATM   45  H   UNL     1       1.451  -2.621   3.312  1.00  0.00           H  
HETATM   46  H   UNL     1       2.217  -0.399   2.711  1.00  0.00           H  
HETATM   47  H   UNL     1       0.135  -2.829  -0.108  1.00  0.00           H  
HETATM   48  H   UNL     1       2.930   1.103   0.897  1.00  0.00           H  
HETATM   49  H   UNL     1       0.839  -1.328  -1.927  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.353   3.336   4.271  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.559   2.520   3.568  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.857   0.175   2.888  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.953  -1.375   2.907  1.00  0.00           H  
HETATM   54  H   UNL     1       2.390   2.463   5.419  1.00  0.00           H  
HETATM   55  H   UNL     1       3.249   1.880   7.648  1.00  0.00           H  
HETATM   56  H   UNL     1       1.824   0.661   9.241  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.467   0.020   8.616  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.348   0.600   6.394  1.00  0.00           H  
HETATM   59  H   UNL     1       3.767  -1.572  -6.747  1.00  0.00           H  
HETATM   60  H   UNL     1       4.316  -0.105  -5.901  1.00  0.00           H  
HETATM   61  H   UNL     1       3.579  -1.440  -4.982  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.144  -1.121  -9.228  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.123  -1.035 -10.687  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.023   0.413 -10.105  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.957   1.784  -8.063  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.991   1.707  -6.588  1.00  0.00           H  
HETATM   67  H   UNL     1       0.689   0.253  -2.768  1.00  0.00           H  
HETATM   68  H   UNL     1       2.155  -0.727  -3.004  1.00  0.00           H  
HETATM   69  H   UNL     1       3.269   1.200  -4.095  1.00  0.00           H  
HETATM   70  H   UNL     1       1.803   2.181  -3.858  1.00  0.00           H  
HETATM   71  HXT UNL     1      -0.977  -3.394   6.183  1.00  0.00           H  
CONECT    1    2   11   42                                            
CONECT    2    1    3   41   43                                       
CONECT    3    2    4   44   45                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4    7   46                                       
CONECT    6    4    8    8   47                                       
CONECT    7    5    9    9   48                                       
CONECT    8    6    6    9   49                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9   37                                                 
CONECT   11    1   12   12   16                                       
CONECT   12   11   11   13   23                                       
CONECT   13   12   14   14   50                                       
CONECT   14   13   13   15   51                                       
CONECT   15   14   16   16   52                                       
CONECT   16   11   15   15   53                                       
CONECT   17   18   18   22   23                                       
CONECT   18   17   17   19   54                                       
CONECT   19   18   20   20   55                                       
CONECT   20   19   19   21   56                                       
CONECT   21   20   22   22   57                                       
CONECT   22   17   21   21   58                                       
CONECT   23   12   17   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   26   29                                                 
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   38                                       
CONECT   29   25   28   28   30                                       
CONECT   30   29   59   60   61                                       
CONECT   31   26   32   32   36                                       
CONECT   32   31   31   33   62                                       
CONECT   33   32   34   34   63                                       
CONECT   34   33   33   35   64                                       
CONECT   35   34   36   36   65                                       
CONECT   36   31   35   35   66                                       
CONECT   37   10   38   67   68                                       
CONECT   38   28   37   69   70                                       
CONECT   39   41   41                                                 
CONECT   40   41   71                                                 
CONECT   41    2   39   39   40                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
