COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.333  -0.847  -0.368  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.934   0.000   0.671  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.764   1.100   1.283  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.466   2.420   0.569  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.248   0.762   1.133  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.418   1.233   2.767  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.717  -0.327   1.021  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.301  -1.394   0.214  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.001  -2.066   0.275  1.00  0.00           C  
HETATM   10  C   UNL     1       0.099  -1.047   0.123  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.177   0.125  -0.023  1.00  0.00           O  
HETATM   12  N   UNL     1       1.388  -1.437   0.148  1.00  0.00           N  
HETATM   13  C   UNL     1       2.400  -0.499   0.008  1.00  0.00           C  
HETATM   14  S   UNL     1       2.148   1.172  -0.195  1.00  0.00           S  
HETATM   15  C   UNL     1       3.870   1.507  -0.276  1.00  0.00           C  
HETATM   16  C   UNL     1       4.479   2.883  -0.461  1.00  0.00           C  
HETATM   17  C   UNL     1       5.958   2.824  -0.069  1.00  0.00           C  
HETATM   18  C   UNL     1       6.618   1.642  -0.785  1.00  0.00           C  
HETATM   19  C   UNL     1       6.099   0.335  -0.181  1.00  0.00           C  
HETATM   20  C   UNL     1       4.580   0.379  -0.152  1.00  0.00           C  
HETATM   21  C   UNL     1       3.735  -0.789   0.019  1.00  0.00           C  
HETATM   22  C   UNL     1       4.263  -2.148   0.183  1.00  0.00           C  
HETATM   23  O   UNL     1       4.462  -2.845  -0.794  1.00  0.00           O  
HETATM   24  N   UNL     1       4.528  -2.623   1.416  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.311  -1.694  -0.630  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.667  -0.823  -1.068  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.731   0.340  -1.962  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.049   0.441  -2.603  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.609   2.293  -0.504  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.142   3.192   0.937  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.436   2.716   0.766  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.422  -0.264   1.459  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.840   1.443   1.745  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.541   0.865   0.088  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.361   1.474   2.874  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.019   2.029   3.210  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.630   0.293   3.276  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.897  -2.571   1.235  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.932  -2.798  -0.530  1.00  0.00           H  
HETATM   40  H   UNL     1       1.609  -2.375   0.264  1.00  0.00           H  
HETATM   41  H   UNL     1       4.389   3.185  -1.505  1.00  0.00           H  
HETATM   42  H   UNL     1       3.960   3.601   0.175  1.00  0.00           H  
HETATM   43  H   UNL     1       6.450   3.751  -0.363  1.00  0.00           H  
HETATM   44  H   UNL     1       6.044   2.691   1.010  1.00  0.00           H  
HETATM   45  H   UNL     1       6.371   1.676  -1.846  1.00  0.00           H  
HETATM   46  H   UNL     1       7.699   1.699  -0.660  1.00  0.00           H  
HETATM   47  H   UNL     1       6.429  -0.505  -0.792  1.00  0.00           H  
HETATM   48  H   UNL     1       6.483   0.223   0.833  1.00  0.00           H  
HETATM   49  H   UNL     1       4.369  -2.067   2.195  1.00  0.00           H  
HETATM   50  H   UNL     1       4.877  -3.522   1.525  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.305  -2.472  -1.379  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.787  -1.737  -1.651  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.465  -0.757  -0.328  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.504   1.190  -1.467  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.238  -0.460  -3.187  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.818   0.545  -1.837  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.069   1.311  -3.259  1.00  0.00           H  
CONECT    1   25   25   26    2                                       
CONECT    2    1    7    7    3                                       
CONECT    3    2    6    5    4                                       
CONECT    4    3   29   30   31                                       
CONECT    5    3   32   33   34                                       
CONECT    6    3   35   36   37                                       
CONECT    7    2    2    8                                            
CONECT    8    7    9   25                                            
CONECT    9    8   10   38   39                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   40                                            
CONECT   13   12   21   21   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   17   19   45   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   15   15   19   21                                       
CONECT   21   13   13   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   49   50                                            
CONECT   25    1    1    8   51                                       
CONECT   26    1   27   52   53                                       
CONECT   27   26   28   54                                            
CONECT   28   27   55   56   57                                       
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
