COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.536  -1.907   1.100  1.00  0.00           O  
HETATM    2  C   UNL     1       2.707  -1.227   0.110  1.00  0.00           C  
HETATM    3  N   UNL     1       3.951  -1.045  -0.376  1.00  0.00           N  
HETATM    4  CA  UNL     1       5.097  -1.668   0.291  1.00  0.00           C  
HETATM    5  C   UNL     1       5.266  -3.101  -0.218  1.00  0.00           C  
HETATM    6  O   UNL     1       5.604  -3.077  -1.606  1.00  0.00           O  
HETATM    7  C   UNL     1       6.363  -0.866  -0.014  1.00  0.00           C  
HETATM    8  C   UNL     1       6.244   0.529   0.604  1.00  0.00           C  
HETATM    9  C   UNL     1       7.435   1.360   0.201  1.00  0.00           C  
HETATM   10  C   UNL     1       7.323   2.274  -0.829  1.00  0.00           C  
HETATM   11  C   UNL     1       8.415   3.037  -1.199  1.00  0.00           C  
HETATM   12  C   UNL     1       9.620   2.885  -0.538  1.00  0.00           C  
HETATM   13  C   UNL     1       9.732   1.970   0.493  1.00  0.00           C  
HETATM   14  C   UNL     1       8.638   1.211   0.866  1.00  0.00           C  
HETATM   15  O   UNL     1       6.201   0.417   2.028  1.00  0.00           O  
HETATM   16  C   UNL     1       1.528  -0.591  -0.580  1.00  0.00           C  
HETATM   17  C   UNL     1       0.243  -0.958   0.164  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.954  -0.312  -0.537  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.240  -0.679   0.208  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.437  -0.033  -0.493  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.722  -0.400   0.251  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.919   0.245  -0.449  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.205  -0.121   0.295  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.402   0.524  -0.406  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.687   0.158   0.338  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.884   0.803  -0.362  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.170   0.437   0.382  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.367   1.082  -0.319  1.00  0.00           C  
HETATM   29  C   UNL     1     -14.652   0.715   0.426  1.00  0.00           C  
HETATM   30  H   UNL     1       4.088  -0.502  -1.168  1.00  0.00           H  
HETATM   31  HA  UNL     1       4.926  -1.683   1.368  1.00  0.00           H  
HETATM   32  H1  UNL     1       6.061  -3.594   0.342  1.00  0.00           H  
HETATM   33  H2  UNL     1       4.333  -3.648  -0.081  1.00  0.00           H  
HETATM   34  H   UNL     1       5.727  -3.953  -1.996  1.00  0.00           H  
HETATM   35  H   UNL     1       7.228  -1.378   0.408  1.00  0.00           H  
HETATM   36  H   UNL     1       6.485  -0.776  -1.093  1.00  0.00           H  
HETATM   37  H   UNL     1       5.331   1.007   0.250  1.00  0.00           H  
HETATM   38  H   UNL     1       6.382   2.393  -1.346  1.00  0.00           H  
HETATM   39  H   UNL     1       8.328   3.751  -2.004  1.00  0.00           H  
HETATM   40  H   UNL     1      10.473   3.480  -0.827  1.00  0.00           H  
HETATM   41  H   UNL     1      10.673   1.852   1.009  1.00  0.00           H  
HETATM   42  H   UNL     1       8.725   0.500   1.674  1.00  0.00           H  
HETATM   43  H   UNL     1       6.984   0.000   2.414  1.00  0.00           H  
HETATM   44  H   UNL     1       1.650   0.492  -0.583  1.00  0.00           H  
HETATM   45  H   UNL     1       1.469  -0.953  -1.607  1.00  0.00           H  
HETATM   46  H   UNL     1       0.121  -2.041   0.167  1.00  0.00           H  
HETATM   47  H   UNL     1       0.301  -0.596   1.191  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.833   0.771  -0.540  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.013  -0.674  -1.563  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.362  -1.762   0.211  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.181  -0.317   1.234  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.315   1.050  -0.496  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.496  -0.395  -1.520  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.844  -1.483   0.254  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.664  -0.038   1.278  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.798   1.329  -0.452  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.978  -0.116  -1.476  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.326  -1.204   0.298  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.146   0.241   1.321  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.280   1.608  -0.409  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.460   0.163  -1.432  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.809  -0.926   0.342  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.629   0.519   1.365  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.763   1.887  -0.365  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.943   0.441  -1.389  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.291  -0.647   0.385  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.111   0.798   1.409  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.245   2.165  -0.322  1.00  0.00           H  
HETATM   69  H   UNL     1     -13.425   0.720  -1.345  1.00  0.00           H  
HETATM   70  H   UNL     1     -14.594   1.077   1.452  1.00  0.00           H  
HETATM   71  H   UNL     1     -15.505   1.175  -0.073  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.774  -0.368   0.429  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2    4   30                                            
CONECT    4    3    5    7   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5   34                                                 
CONECT    7    4    8   35   36                                       
CONECT    8    7    9   15   37                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   12   14   14   41                                       
CONECT   14    9   13   13   42                                       
CONECT   15    8   43                                                 
CONECT   16    2   17   44   45                                       
CONECT   17   16   18   46   47                                       
CONECT   18   17   19   48   49                                       
CONECT   19   18   20   50   51                                       
CONECT   20   19   21   52   53                                       
CONECT   21   20   22   54   55                                       
CONECT   22   21   23   56   57                                       
CONECT   23   22   24   58   59                                       
CONECT   24   23   25   60   61                                       
CONECT   25   24   26   62   63                                       
CONECT   26   25   27   64   65                                       
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   68   69                                       
CONECT   29   28   70   71   72                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
