COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.559   0.710   0.378  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.730   1.031  -1.308  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.366   1.353  -0.712  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.240   1.282  -1.676  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.089   0.783  -1.355  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.728   0.161  -0.056  1.00  0.00           C  
HETATM    7  C   UNL     1       3.008   0.721   0.364  1.00  0.00           C  
HETATM    8  C   UNL     1       5.442   1.751   1.192  1.00  0.00           C  
HETATM    9  C   UNL     1       3.048   1.800   1.248  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.156   0.473   0.497  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.624  -3.133   0.685  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.479  -3.603  -0.310  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.196   0.838   1.560  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.106   1.150  -0.841  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.601   1.715  -0.295  1.00  0.00           C  
HETATM   16  I   UNL     1       7.199  -0.155  -0.382  1.00  0.00           I  
HETATM   17  C   UNL     1      -4.240  -2.773  -1.118  1.00  0.00           C  
HETATM   18  C   UNL     1       4.199   0.163  -0.101  1.00  0.00           C  
HETATM   19  C   UNL     1       5.409   0.680   0.315  1.00  0.00           C  
HETATM   20  C   UNL     1       4.264   2.308   1.657  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.748   0.377   1.068  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.387  -0.957   0.076  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.567  -1.748   0.871  1.00  0.00           C  
HETATM   24  O   UNL     1       1.676  -0.775  -0.840  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.188  -1.400  -0.948  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.755   1.336  -0.295  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.580   0.576   0.945  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.135   1.708   0.143  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.125   0.722   0.766  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.831  -0.951   1.705  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.891  -0.397  -1.803  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.879  -3.983   1.442  1.00  0.00           O  
HETATM   33  C   UNL     1       1.708   0.168  -0.073  1.00  0.00           C  
HETATM   34  H   UNL     1       0.585   1.464   0.986  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.883   1.702  -2.154  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.413   2.381  -0.351  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.386   1.658  -2.678  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.315   0.823  -2.107  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.610  -0.911  -0.209  1.00  0.00           H  
HETATM   40  H   UNL     1       6.391   2.152   1.515  1.00  0.00           H  
HETATM   41  H   UNL     1       2.130   2.237   1.612  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.553  -4.670  -0.460  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.059   0.215   2.444  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.101   1.890   1.827  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.189   1.676  -1.792  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.291   0.087  -0.997  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.222   2.547   0.037  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.832   1.322  -1.285  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.874  -3.197  -1.881  1.00  0.00           H  
HETATM   50  H   UNL     1       4.175  -0.672  -0.785  1.00  0.00           H  
HETATM   51  H   UNL     1       4.296   3.143   2.342  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.485   1.193   1.741  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.681  -0.488   0.730  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.350   0.872   1.657  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.791   2.536   0.764  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.432   0.900   1.797  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.042  -0.325   0.475  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.953  -0.641  -1.827  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.497  -0.462  -2.817  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.321  -4.280   2.249  1.00  0.00           H  
CONECT    1   33    6   34                                            
CONECT    2    3   31   26   35                                       
CONECT    3    4   10    2   36                                       
CONECT    4    5    5    3   37                                       
CONECT    5    6    4    4   38                                       
CONECT    6    1    5   21   39                                       
CONECT    7    9   33   18   18                                       
CONECT    8   20   19   19   40                                       
CONECT    9   20   20    7   41                                       
CONECT   10   21   22    3   13                                       
CONECT   11   32   23   23   12                                       
CONECT   12   11   17   17   42                                       
CONECT   13   10   27   43   44                                       
CONECT   14   26   28   45   46                                       
CONECT   15   28   29   47   48                                       
CONECT   16   19                                                      
CONECT   17   12   12   25   49                                       
CONECT   18    7    7   19   50                                       
CONECT   19    8    8   18   16                                       
CONECT   20    9    9    8   51                                       
CONECT   21    6   30   10   52                                       
CONECT   22   23   10   25   25                                       
CONECT   23   30   11   11   22                                       
CONECT   24   33   33                                                 
CONECT   25   22   22   17   31                                       
CONECT   26    2   27   14                                            
CONECT   27   13   26   53   54                                       
CONECT   28   14   15   29   55                                       
CONECT   29   28   15   56   57                                       
CONECT   30   21   23                                                 
CONECT   31   25    2   58   59                                       
CONECT   32   11   60                                                 
CONECT   33   24   24    7    1                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
