COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.384   0.806   0.611  1.00  0.00           O  
HETATM    2  C   UNL     1       1.170   1.107  -0.544  1.00  0.00           C  
HETATM    3  N   UNL     1       3.561   1.500  -0.676  1.00  0.00           N  
HETATM    4  C   UNL     1       5.263  -3.196  -0.877  1.00  0.00           C  
HETATM    5  C   UNL     1       6.333  -1.347   0.276  1.00  0.00           C  
HETATM    6  C   UNL     1       5.438   0.844   0.302  1.00  0.00           C  
HETATM    7  C   UNL     1       4.141   2.540  -0.045  1.00  0.00           C  
HETATM    8  C   UNL     1       2.309   1.529  -1.436  1.00  0.00           C  
HETATM    9  N   UNL     1       5.248   2.146   0.530  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.249   0.190   0.336  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.687   0.056   0.050  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.177   0.356  -1.233  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.502   0.235  -1.503  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.392  -0.197  -0.487  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.891  -0.499   0.805  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.563  -0.378   1.060  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.711  -0.087   1.565  1.00  0.00           C  
HETATM   18  C   UNL     1       7.552   0.377   1.488  1.00  0.00           C  
HETATM   19  C   UNL     1       4.374   0.402  -0.474  1.00  0.00           C  
HETATM   20  C   UNL     1       4.324  -0.953  -0.865  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.132   0.665  -0.213  1.00  0.00           C  
HETATM   22  N   UNL     1       6.419  -0.063   0.670  1.00  0.00           N  
HETATM   23  N   UNL     1       5.309  -1.788  -0.475  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.086   1.059  -1.032  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.373   0.584  -0.578  1.00  0.00           N  
HETATM   26  N   UNL     1      -8.687  -0.317  -0.744  1.00  0.00           N  
HETATM   27  N   UNL     1      -9.390  -0.659   0.063  1.00  0.00           N1+
HETATM   28  N   UNL     1     -10.094  -1.001   0.870  1.00  0.00           N  
HETATM   29  O   UNL     1       7.204  -2.128   0.608  1.00  0.00           O  
HETATM   30  O   UNL     1       3.401  -1.364  -1.545  1.00  0.00           O  
HETATM   31  S   UNL     1      -0.975   0.200   1.477  1.00  0.00           S  
HETATM   32  H   UNL     1       6.133  -3.717  -0.477  1.00  0.00           H  
HETATM   33  H   UNL     1       4.354  -3.655  -0.489  1.00  0.00           H  
HETATM   34  H   UNL     1       5.269  -3.263  -1.965  1.00  0.00           H  
HETATM   35  H   UNL     1       3.751   3.547  -0.019  1.00  0.00           H  
HETATM   36  H   UNL     1       2.381   0.845  -2.282  1.00  0.00           H  
HETATM   37  H   UNL     1       2.129   2.540  -1.801  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.497   0.684  -2.005  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.876   0.467  -2.489  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.564  -0.828   1.583  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.180  -0.612   2.042  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.256  -0.423   2.435  1.00  0.00           H  
HETATM   43  H   UNL     1       7.304   0.261   2.544  1.00  0.00           H  
HETATM   44  H   UNL     1       8.427  -0.227   1.252  1.00  0.00           H  
HETATM   45  H   UNL     1       7.766   1.425   1.279  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.256   1.300  -1.956  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.277  -1.947   0.985  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8   24    1    1                                       
CONECT    3    7   19    8                                            
CONECT    4   23   32   33   34                                       
CONECT    5   22   29   29   23                                       
CONECT    6   22    9   19   19                                       
CONECT    7    9    9    3   35                                       
CONECT    8    3    2   36   37                                       
CONECT    9    6    7    7                                            
CONECT   10   25   17   17   11                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   38                                       
CONECT   13   12   14   14   39                                       
CONECT   14   13   13   15   26                                       
CONECT   15   16   16   14   40                                       
CONECT   16   11   15   15   41                                       
CONECT   17   31   10   10   42                                       
CONECT   18   22   43   44   45                                       
CONECT   19    6    6    3   20                                       
CONECT   20   23   19   30   30                                       
CONECT   21   24   31   25   25                                       
CONECT   22   18    6    5                                            
CONECT   23    5    4   20                                            
CONECT   24    2   21   46                                            
CONECT   25   21   21   10                                            
CONECT   26   14   27   27                                            
CONECT   27   26   26   28   28                                       
CONECT   28   27   27   47                                            
CONECT   29    5    5                                                 
CONECT   30   20   20                                                 
CONECT   31   21   17                                                 
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
