COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.198   1.207  -0.027  1.00  0.00           C  
HETATM    2  C   UNL     1       5.887   0.680  -0.189  1.00  0.00           C  
HETATM    3  C   UNL     1       4.653   0.396   0.376  1.00  0.00           C  
HETATM    4  C   UNL     1       3.563   0.157  -0.465  1.00  0.00           C  
HETATM    5  C   UNL     1       2.227  -0.149   0.092  1.00  0.00           C  
HETATM    6  CA  UNL     1       1.430   0.694   0.845  1.00  0.00           C  
HETATM    7  C   UNL     1       1.772   2.066   1.235  1.00  0.00           C  
HETATM    8  C   UNL     1       0.270  -1.231   0.641  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.650  -2.277   0.676  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.955  -2.111   1.412  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.591  -3.484   1.638  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.469  -0.011   1.059  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.312   0.420  -0.146  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.102   1.858  -0.620  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.615   1.895  -0.901  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.279   3.215  -0.503  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.763   0.788   0.159  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.274  -1.545  -0.631  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.365  -3.462   0.035  1.00  0.00           C  
HETATM   20  C   UNL     1       0.833  -3.628  -0.647  1.00  0.00           C  
HETATM   21  C   UNL     1       1.750  -2.617  -0.695  1.00  0.00           C  
HETATM   22  C   UNL     1       1.482  -1.406  -0.052  1.00  0.00           C  
HETATM   23  C   UNL     1       3.769   0.216  -1.850  1.00  0.00           C  
HETATM   24  C   UNL     1       5.029   0.505  -2.328  1.00  0.00           C  
HETATM   25  N   UNL     1       0.263   0.038   1.171  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.861  -1.278   0.617  1.00  0.00           N  
HETATM   27  N   UNL     1      -7.688   3.198  -0.917  1.00  0.00           N  
HETATM   28  N   UNL     1       6.035   0.725  -1.503  1.00  0.00           N  
HETATM   29  O   UNL     1       6.953   0.920   0.615  1.00  0.00           O  
HETATM   30  OXT UNL     1       0.909   2.793   1.974  1.00  0.00           O  
HETATM   31  O   UNL     1       2.834   2.549   0.891  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.108  -0.616  -1.136  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.928  -2.532  -1.249  1.00  0.00           O  
HETATM   34  H   UNL     1       8.965   1.378   0.729  1.00  0.00           H  
HETATM   35  H   UNL     1       8.487   0.363  -0.653  1.00  0.00           H  
HETATM   36  H   UNL     1       8.091   2.098  -0.645  1.00  0.00           H  
HETATM   37  H   UNL     1       4.536   0.360   1.449  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.771  -1.633   2.374  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.774  -3.963   0.676  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.916  -4.104   2.229  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.534  -3.365   2.170  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.699   0.730   1.274  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.101  -0.171   1.932  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.786   2.538   0.171  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.487   1.937  -1.517  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.880   1.575  -1.908  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.219   3.341   0.578  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.766   4.042  -0.995  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.478   0.012  -0.117  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.916   1.166   1.169  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.080  -4.270   0.064  1.00  0.00           H  
HETATM   52  H   UNL     1       1.041  -4.564  -1.145  1.00  0.00           H  
HETATM   53  H   UNL     1       2.680  -2.753  -1.227  1.00  0.00           H  
HETATM   54  H   UNL     1       2.952   0.037  -2.533  1.00  0.00           H  
HETATM   55  H   UNL     1       5.195   0.552  -3.395  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.460   0.417   1.695  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.149   4.060  -0.666  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.773   3.018  -1.906  1.00  0.00           H  
HETATM   59  HXT UNL     1       1.178   3.692   2.206  1.00  0.00           H  
CONECT    1   29   34   35   36                                       
CONECT    2   29   28   28    3                                       
CONECT    3    2    4    4   37                                       
CONECT    4    3    3   23    5                                       
CONECT    5    4    6    6   22                                       
CONECT    6    7    5    5   25                                       
CONECT    7   31   31    6   30                                       
CONECT    8   22   25    9    9                                       
CONECT    9    8    8   19   10                                       
CONECT   10    9   26   11   38                                       
CONECT   11   10   39   40   41                                       
CONECT   12   26   13   42   43                                       
CONECT   13   32   17   12   14                                       
CONECT   14   13   15   44   45                                       
CONECT   15   17   14   16   46                                       
CONECT   16   15   27   47   48                                       
CONECT   17   13   15   49   50                                       
CONECT   18   33   33   32   26                                       
CONECT   19   20   20    9   51                                       
CONECT   20   21   19   19   52                                       
CONECT   21   22   22   20   53                                       
CONECT   22    5   21   21    8                                       
CONECT   23   24   24    4   54                                       
CONECT   24   28   23   23   55                                       
CONECT   25    6    8   56                                            
CONECT   26   18   10   12                                            
CONECT   27   16   57   58                                            
CONECT   28    2    2   24                                            
CONECT   29    1    2                                                 
CONECT   30    7   59                                                 
CONECT   31    7    7                                                 
CONECT   32   18   13                                                 
CONECT   33   18   18                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   30                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
