COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.623  -3.880   1.029  1.00  0.00           N  
HETATM    2  C   UNL     1       5.049  -2.503   0.747  1.00  0.00           C  
HETATM    3  C   UNL     1       5.248  -2.304  -0.773  1.00  0.00           C  
HETATM    4  C   UNL     1       3.907  -1.669  -1.218  1.00  0.00           C  
HETATM    5  C   UNL     1       3.940  -1.509   1.141  1.00  0.00           C  
HETATM    6  N   UNL     1       3.562  -0.773  -0.085  1.00  0.00           N  
HETATM    7  C   UNL     1       2.212  -0.470  -0.085  1.00  0.00           C  
HETATM    8  C   UNL     1       1.778   0.862  -0.065  1.00  0.00           C  
HETATM    9  C   UNL     1       2.455   2.167  -0.042  1.00  0.00           C  
HETATM   10  C   UNL     1       3.792   2.559  -0.030  1.00  0.00           C  
HETATM   11  C   UNL     1       4.113   3.899  -0.007  1.00  0.00           C  
HETATM   12  C   UNL     1       3.112   4.857   0.004  1.00  0.00           C  
HETATM   13  C   UNL     1       1.784   4.484  -0.008  1.00  0.00           C  
HETATM   14  N   UNL     1       1.299  -1.437  -0.109  1.00  0.00           N  
HETATM   15  C   UNL     1       0.004  -1.149  -0.109  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.446   0.095  -0.086  1.00  0.00           N  
HETATM   17  C   UNL     1       0.399   1.125  -0.067  1.00  0.00           C  
HETATM   18  N   UNL     1       0.217   2.486  -0.042  1.00  0.00           N  
HETATM   19  C   UNL     1       1.440   3.137  -0.031  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.159  -2.473  -0.142  1.00  0.00           S  
HETATM   21  C   UNL     1      -2.658  -1.559  -0.293  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.208  -1.311  -1.558  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.320  -0.635  -1.702  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.986  -0.148  -0.650  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.122   0.540  -0.818  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.762   1.010   0.228  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.274   0.802   1.519  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.161   0.130   1.712  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.492  -0.358   0.663  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.301  -1.087   0.836  1.00  0.00           C  
HETATM   31  H   UNL     1       5.342  -4.540   0.775  1.00  0.00           H  
HETATM   32  H   UNL     1       4.361  -3.986   1.998  1.00  0.00           H  
HETATM   33  H   UNL     1       5.969  -2.275   1.284  1.00  0.00           H  
HETATM   34  H   UNL     1       6.079  -1.626  -0.967  1.00  0.00           H  
HETATM   35  H   UNL     1       5.405  -3.261  -1.270  1.00  0.00           H  
HETATM   36  H   UNL     1       4.038  -1.095  -2.136  1.00  0.00           H  
HETATM   37  H   UNL     1       3.144  -2.436  -1.351  1.00  0.00           H  
HETATM   38  H   UNL     1       3.078  -2.050   1.530  1.00  0.00           H  
HETATM   39  H   UNL     1       4.315  -0.813   1.892  1.00  0.00           H  
HETATM   40  H   UNL     1       4.574   1.815  -0.038  1.00  0.00           H  
HETATM   41  H   UNL     1       5.149   4.204   0.002  1.00  0.00           H  
HETATM   42  H   UNL     1       3.373   5.905   0.022  1.00  0.00           H  
HETATM   43  H   UNL     1       1.011   5.238   0.001  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.646   2.929  -0.035  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.702  -1.686  -2.435  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.678   1.565   0.087  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.815   1.196   2.366  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.897  -1.265   1.821  1.00  0.00           H  
CONECT    1    2   31   32                                            
CONECT    2    1    5    3   33                                       
CONECT    3    2    4   34   35                                       
CONECT    4    3    6   36   37                                       
CONECT    5    2    6   38   39                                       
CONECT    6    5    7    4                                            
CONECT    7   14    6    8    8                                       
CONECT    8    7    7   17    9                                       
CONECT    9    8   10   10   19                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   12   12   41                                       
CONECT   12   13   11   11   42                                       
CONECT   13   19   19   12   43                                       
CONECT   14   15   15    7                                            
CONECT   15   20   14   14   16                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16    8   18                                       
CONECT   18   17   19   44                                            
CONECT   19   18    9   13   13                                       
CONECT   20   21   15                                                 
CONECT   21   22   22   30   20                                       
CONECT   22   23   21   21   45                                       
CONECT   23   24   24   22                                            
CONECT   24   25   23   23   29                                       
CONECT   25   26   26   24                                            
CONECT   26   25   25   27   46                                       
CONECT   27   26   28   28   47                                       
CONECT   28   27   27   29                                            
CONECT   29   24   28   30   30                                       
CONECT   30   29   29   21   48                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
