COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.164  10.670 -11.581  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.314   9.902 -10.722  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.500   8.957  -9.666  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.854   7.722  -9.715  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.034   6.799  -8.684  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.326   9.270  -8.587  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.507   8.347  -7.557  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.860   7.118  -7.612  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.055   6.126  -6.503  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.060   6.344  -5.503  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.070   5.509  -4.428  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.023   4.498  -4.341  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.033   3.641  -3.240  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.124   5.666  -3.415  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.120   4.813  -2.300  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.089   3.785  -2.211  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.084   2.932  -1.096  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.175   4.957  -1.270  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.186   4.100  -0.170  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.138   3.102  -0.099  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.149   2.017   1.296  1.00  0.00           S  
HETATM   22  O   UNL     1      -0.521   2.708   2.406  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.501   1.508   1.425  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.118   0.762   0.765  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.662  -0.392   0.052  1.00  0.00           C  
HETATM   26  C   UNL     1       0.366  -0.842  -0.970  1.00  0.00           C  
HETATM   27  O   UNL     1       1.488  -0.371  -1.104  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.101  -1.854  -1.749  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.066  -1.526   1.009  1.00  0.00           C  
HETATM   30  C   UNL     1       0.038  -2.064   1.923  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.435  -3.106   2.906  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.573  -3.556   2.928  1.00  0.00           O  
HETATM   33  O   UNL     1       0.541  -3.503   3.759  1.00  0.00           O  
HETATM   34  H   UNL     1      -1.206   7.463 -10.549  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.837  10.229  -8.536  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.527   5.839  -8.730  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.153   8.600  -6.720  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.046   6.234  -6.050  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.967   5.101  -6.880  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.761   4.371  -5.128  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.385   6.462  -3.498  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.787   2.858  -3.193  1.00  0.00           H  
HETATM   43  H   UNL     1       0.579   5.740  -1.318  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.825   2.138  -1.018  1.00  0.00           H  
HETATM   45  H   UNL     1       0.556   4.231   0.614  1.00  0.00           H  
HETATM   46  H   UNL     1       0.767   0.613   1.271  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.548  -0.047  -0.495  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.496  -2.348   0.423  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.875  -1.160   1.654  1.00  0.00           H  
HETATM   50  H   UNL     1       0.525  -2.182  -2.429  1.00  0.00           H  
HETATM   51  H   UNL     1       0.866  -2.485   1.342  1.00  0.00           H  
HETATM   52  H   UNL     1       0.473  -1.241   2.504  1.00  0.00           H  
HETATM   53  H   UNL     1       0.274  -4.188   4.408  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4    6    6                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    8   36                                       
CONECT    6    3    3    7   35                                       
CONECT    7    6    8    8   37                                       
CONECT    8    5    7    7    9                                       
CONECT    9    8   10   38   39                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   14   14                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   16   42                                       
CONECT   14   11   11   15   41                                       
CONECT   15   14   16   16   18                                       
CONECT   16   13   15   15   17                                       
CONECT   17   16   20   20   44                                       
CONECT   18   15   19   19   43                                       
CONECT   19   18   18   20   45                                       
CONECT   20   17   17   19   21                                       
CONECT   21   20   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   46                                            
CONECT   25   24   26   29   47                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   50                                                 
CONECT   29   25   30   48   49                                       
CONECT   30   29   31   51   52                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   53                                                 
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   13                                                      
CONECT   43   18                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   33                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
