COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.788   1.669  -0.247  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.092   1.213  -0.315  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.073  -0.190  -0.292  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.266  -0.906  -0.350  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.466  -0.231  -0.428  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.487   1.155  -0.450  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.313   1.875  -0.393  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.759  -1.003  -0.490  1.00  0.00           C  
HETATM    9  C   UNL     1       0.091   0.601  -0.188  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.656  -0.588  -0.206  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.012  -1.824  -0.155  1.00  0.00           C  
HETATM   12  C   UNL     1       1.351  -1.883  -0.086  1.00  0.00           C  
HETATM   13  C   UNL     1       2.107  -0.706  -0.067  1.00  0.00           C  
HETATM   14  C   UNL     1       1.476   0.534  -0.110  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.392   3.080  -0.246  1.00  0.00           C  
HETATM   16  C   UNL     1       3.581  -0.780   0.008  1.00  0.00           C  
HETATM   17  C   UNL     1       4.302  -1.918   0.056  1.00  0.00           C  
HETATM   18  C   UNL     1       5.668  -1.733   0.117  1.00  0.00           C  
HETATM   19  C   UNL     1       6.067  -0.457   0.119  1.00  0.00           C  
HETATM   20  S   UNL     1       4.667   0.604   0.040  1.00  0.00           S  
HETATM   21  C   UNL     1       7.501   0.003   0.180  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.336   3.592   1.195  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.257  -1.233   0.873  1.00  0.00           N1+
HETATM   24  C   UNL     1      -7.517  -1.985   0.813  1.00  0.00           C  
HETATM   25  H   UNL     1      -3.252  -1.986  -0.333  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.432   1.675  -0.512  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.341   2.955  -0.411  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.496  -0.432  -1.055  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.587  -1.961  -0.980  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.591  -2.735  -0.169  1.00  0.00           H  
HETATM   31  H   UNL     1       1.847  -2.842  -0.053  1.00  0.00           H  
HETATM   32  H   UNL     1       2.062   1.441  -0.095  1.00  0.00           H  
HETATM   33  H   UNL     1       0.590   3.182  -0.707  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.121   3.662  -0.810  1.00  0.00           H  
HETATM   35  H   UNL     1       3.847  -2.897   0.049  1.00  0.00           H  
HETATM   36  H   UNL     1       6.364  -2.558   0.161  1.00  0.00           H  
HETATM   37  H   UNL     1       7.895   0.100  -0.832  1.00  0.00           H  
HETATM   38  H   UNL     1       7.552   0.968   0.684  1.00  0.00           H  
HETATM   39  H   UNL     1       8.093  -0.727   0.732  1.00  0.00           H  
HETATM   40  H   UNL     1       0.393   3.010   1.759  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.042   4.642   1.196  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.318   3.490   1.656  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.575  -1.761   1.396  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.416  -0.346   1.327  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.255  -1.415   0.248  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.346  -2.943   0.322  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.887  -2.156   1.824  1.00  0.00           H  
CONECT    1    9    2   15                                            
CONECT    2    3    1    7    7                                       
CONECT    3   10    4    4    2                                       
CONECT    4    3    3    5   25                                       
CONECT    5    4    8    6    6                                       
CONECT    6    5    5    7   26                                       
CONECT    7    2    2    6   27                                       
CONECT    8    5   23   28   29                                       
CONECT    9   14   14   10    1                                       
CONECT   10   11   11    9    3                                       
CONECT   11   12   10   10   30                                       
CONECT   12   13   13   11   31                                       
CONECT   13   16   12   12   14                                       
CONECT   14   13    9    9   32                                       
CONECT   15    1   22   33   34                                       
CONECT   16   17   17   20   13                                       
CONECT   17   18   16   16   35                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19   16                                                 
CONECT   21   19   37   38   39                                       
CONECT   22   15   40   41   42                                       
CONECT   23    8   24   43   44                                       
CONECT   24   23   45   46   47                                       
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
