COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.606  -1.701  -0.768  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.356  -1.364  -0.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.984  -0.064  -0.472  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.472   1.175  -0.169  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.319   2.204   0.211  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.685   1.992   0.287  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.898   4.264   0.960  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.218   0.745  -0.026  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.320   0.794  -1.132  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.362  -0.298  -0.401  1.00  0.00           C  
HETATM   11  C   UNL     1       0.618  -1.862   0.163  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.114  -3.136   1.271  1.00  0.00           C  
HETATM   13  C   UNL     1       0.831  -2.385   2.506  1.00  0.00           C  
HETATM   14  C   UNL     1       1.604  -1.113   2.856  1.00  0.00           C  
HETATM   15  C   UNL     1       2.173  -0.495   1.604  1.00  0.00           C  
HETATM   16  C   UNL     1       1.711  -0.842   0.353  1.00  0.00           C  
HETATM   17  C   UNL     1       2.260  -0.244  -0.777  1.00  0.00           C  
HETATM   18  C   UNL     1       2.532  -1.589  -2.720  1.00  0.00           C  
HETATM   19  C   UNL     1       3.272   0.697  -0.651  1.00  0.00           C  
HETATM   20  C   UNL     1       5.138   1.898  -0.901  1.00  0.00           C  
HETATM   21  C   UNL     1       3.737   1.042   0.613  1.00  0.00           C  
HETATM   22  C   UNL     1       3.185   0.445   1.734  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.110  -2.074   1.418  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.700  -2.229  -0.808  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.446  -2.314  -1.060  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.510   3.007   0.661  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.557   0.536   0.048  1.00  0.00           O  
HETATM   28  O   UNL     1       1.803  -0.584  -2.012  1.00  0.00           O  
HETATM   29  O   UNL     1       3.966   1.415  -1.583  1.00  0.00           O  
HETATM   30  O   UNL     1       4.723   1.976   0.476  1.00  0.00           O  
HETATM   31  H   UNL     1       0.166  -1.230  -1.854  1.00  0.00           H  
HETATM   32  H   UNL     1       0.593   1.346  -0.226  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.912   3.176   0.449  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.195   4.138   1.784  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.366   4.627   0.081  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.665   4.983   1.244  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.372   0.588  -0.937  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.202   1.839  -1.420  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.968   0.153  -1.940  1.00  0.00           H  
HETATM   40  H   UNL     1       1.058  -2.805  -0.161  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.383  -3.521   2.255  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.001  -2.733   0.784  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.702  -3.944   0.666  1.00  0.00           H  
HETATM   44  H   UNL     1       1.527  -3.158   2.179  1.00  0.00           H  
HETATM   45  H   UNL     1       0.280  -2.730   3.380  1.00  0.00           H  
HETATM   46  H   UNL     1       0.933  -0.402   3.338  1.00  0.00           H  
HETATM   47  H   UNL     1       2.417  -1.360   3.539  1.00  0.00           H  
HETATM   48  H   UNL     1       3.532  -1.220  -2.948  1.00  0.00           H  
HETATM   49  H   UNL     1       2.607  -2.485  -2.104  1.00  0.00           H  
HETATM   50  H   UNL     1       2.013  -1.829  -3.648  1.00  0.00           H  
HETATM   51  H   UNL     1       5.964   1.196  -1.013  1.00  0.00           H  
HETATM   52  H   UNL     1       5.420   2.882  -1.274  1.00  0.00           H  
HETATM   53  H   UNL     1       3.545   0.712   2.716  1.00  0.00           H  
CONECT    1   24   24   25   10                                       
CONECT    2   11   25    3   31                                       
CONECT    3    2   10   10    4                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    8    8    5   26                                       
CONECT    7   26   34   35   36                                       
CONECT    8   10   27    6    6                                       
CONECT    9   27   37   38   39                                       
CONECT   10    1    3    3    8                                       
CONECT   11   23   16    2   40                                       
CONECT   12   23   41   42   43                                       
CONECT   13   23   14   44   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   16   22                                       
CONECT   16   11   15   15   17                                       
CONECT   17   16   28   19   19                                       
CONECT   18   28   48   49   50                                       
CONECT   19   17   17   21   29                                       
CONECT   20   30   29   51   52                                       
CONECT   21   22   22   19   30                                       
CONECT   22   15   21   21   53                                       
CONECT   23   12   13   11                                            
CONECT   24    1    1                                                 
CONECT   25    1    2                                                 
CONECT   26    7    6                                                 
CONECT   27    9    8                                                 
CONECT   28   17   18                                                 
CONECT   29   19   20                                                 
CONECT   30   21   20                                                 
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
