COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.528   2.502   0.977  1.00  0.00           C  
HETATM    2  C   UNL     1       3.277   2.251   0.199  1.00  0.00           C  
HETATM    3  C   UNL     1       2.188   1.526  -0.268  1.00  0.00           C  
HETATM    4  C   UNL     1       2.300   0.148  -0.433  1.00  0.00           C  
HETATM    5  C   UNL     1       1.166  -0.654  -0.927  1.00  0.00           C  
HETATM    6  C   UNL     1       0.014  -0.064  -1.223  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.145  -0.884  -1.728  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.350  -0.643  -0.854  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.169  -0.589   0.815  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.146  -0.644   1.807  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.192   0.251   1.792  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.275   1.207   0.789  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.329   1.276  -0.188  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.249   0.370  -0.201  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.105   1.175  -2.211  1.00  0.00           C  
HETATM   16  C   UNL     1       3.542  -0.458  -0.109  1.00  0.00           C  
HETATM   17  C   UNL     1       3.737  -1.838  -0.247  1.00  0.00           C  
HETATM   18  C   UNL     1       4.945  -2.383   0.073  1.00  0.00           C  
HETATM   19  C   UNL     1       5.988  -1.584   0.537  1.00  0.00           C  
HETATM   20  C   UNL     1       5.831  -0.240   0.682  1.00  0.00           C  
HETATM   21  C   UNL     1       4.599   0.358   0.361  1.00  0.00           C  
HETATM   22  N   UNL     1       4.420   1.676   0.489  1.00  0.00           N1+
HETATM   23  N   UNL     1      -3.221   0.269  -1.066  1.00  0.00           N1+
HETATM   24  S   UNL     1      -2.725  -1.558   0.537  1.00  0.00           S  
HETATM   25  H   UNL     1       6.126   2.844   0.132  1.00  0.00           H  
HETATM   26  H   UNL     1       5.131   3.363   1.513  1.00  0.00           H  
HETATM   27  H   UNL     1       6.152   1.912   1.648  1.00  0.00           H  
HETATM   28  H   UNL     1       3.181   3.319   0.323  1.00  0.00           H  
HETATM   29  H   UNL     1       1.261   2.027  -0.502  1.00  0.00           H  
HETATM   30  H   UNL     1       1.272  -1.722  -1.047  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.093   1.004  -1.102  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.376  -0.594  -2.753  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.882  -1.941  -1.700  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.082  -1.388   2.587  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.950   0.208   2.560  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.099   1.905   0.784  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.409   2.026  -0.960  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.530   2.054  -1.922  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.600   0.663  -3.030  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.100   1.482  -2.534  1.00  0.00           H  
HETATM   41  H   UNL     1       2.935  -2.467  -0.604  1.00  0.00           H  
HETATM   42  H   UNL     1       5.095  -3.447  -0.033  1.00  0.00           H  
HETATM   43  H   UNL     1       6.935  -2.039   0.785  1.00  0.00           H  
HETATM   44  H   UNL     1       6.649   0.365   1.043  1.00  0.00           H  
CONECT    1   22   25   26   27                                       
CONECT    2    3    3   22   28                                       
CONECT    3    4    2    2   29                                       
CONECT    4    5   16   16    3                                       
CONECT    5    6    6    4   30                                       
CONECT    6    7    5    5   31                                       
CONECT    7    8    6   32   33                                       
CONECT    8   23   23    7   24                                       
CONECT    9   14   14   24   10                                       
CONECT   10   11   11    9   34                                       
CONECT   11   12   10   10   35                                       
CONECT   12   13   13   11   36                                       
CONECT   13   12   12   14   37                                       
CONECT   14   13   23    9    9                                       
CONECT   15   23   38   39   40                                       
CONECT   16   17    4    4   21                                       
CONECT   17   18   18   16   41                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   16   20   22   22                                       
CONECT   22   21   21    2    1                                       
CONECT   23   15   14    8    8                                       
CONECT   24    8    9                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
