COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.401  -0.315   0.351  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.102   1.718  -0.464  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.747   1.959  -0.352  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.248   0.883   0.343  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.800  -1.419  -0.142  1.00  0.00           C  
HETATM    6  C   UNL     1       2.163  -1.735  -0.925  1.00  0.00           C  
HETATM    7  C   UNL     1       0.807  -1.857  -1.126  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.025  -0.900  -0.758  1.00  0.00           N  
HETATM    9  C   UNL     1       0.399   0.216  -0.182  1.00  0.00           C  
HETATM   10  C   UNL     1       1.750   0.420   0.058  1.00  0.00           C  
HETATM   11  C   UNL     1       2.661  -0.572  -0.318  1.00  0.00           C  
HETATM   12  C   UNL     1       4.108  -0.403  -0.078  1.00  0.00           C  
HETATM   13  N   UNL     1       4.862   0.732  -0.329  1.00  0.00           N  
HETATM   14  C   UNL     1       6.140   0.446   0.039  1.00  0.00           C  
HETATM   15  N   UNL     1       6.182  -0.788   0.492  1.00  0.00           N  
HETATM   16  C   UNL     1       4.960  -1.328   0.439  1.00  0.00           C  
HETATM   17  C   UNL     1       4.591  -2.723   0.874  1.00  0.00           C  
HETATM   18  S   UNL     1       7.512   1.546  -0.072  1.00  0.00           S  
HETATM   19  C   UNL     1       8.822   0.484   0.584  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.520   1.192   0.186  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.893   0.945   0.061  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.754  -0.559   0.228  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.609   0.457  -0.180  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.982   0.213  -0.293  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.753   1.145   0.542  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.533  -0.484   0.653  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.300  -1.180   0.052  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.736  -1.105   0.668  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.766   2.509  -0.780  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.353   2.940  -0.573  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.823   1.533   1.003  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.519   1.085  -0.693  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.050  -2.434   0.168  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.057  -1.285  -1.192  1.00  0.00           H  
HETATM   35  H   UNL     1       2.834  -2.526  -1.226  1.00  0.00           H  
HETATM   36  H   UNL     1       0.417  -2.750  -1.593  1.00  0.00           H  
HETATM   37  H   UNL     1       2.093   1.330   0.528  1.00  0.00           H  
HETATM   38  H   UNL     1       4.540   1.569  -0.698  1.00  0.00           H  
HETATM   39  H   UNL     1       4.699  -3.407   0.032  1.00  0.00           H  
HETATM   40  H   UNL     1       5.249  -3.037   1.684  1.00  0.00           H  
HETATM   41  H   UNL     1       3.557  -2.734   1.220  1.00  0.00           H  
HETATM   42  H   UNL     1       8.573   0.188   1.603  1.00  0.00           H  
HETATM   43  H   UNL     1       8.915  -0.405  -0.041  1.00  0.00           H  
HETATM   44  H   UNL     1       9.766   1.028   0.583  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.211   2.045   0.530  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.148  -1.540   0.448  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.522   2.170   0.252  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.494   0.996   1.590  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.033  -1.367   1.093  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.737  -1.853  -0.595  1.00  0.00           H  
CONECT    1   21   21   22   28                                       
CONECT    2    3    3   23   29                                       
CONECT    3   21    2    2   30                                       
CONECT    4   25   26   31   32                                       
CONECT    5   27   26   33   34                                       
CONECT    6    7    7   11   35                                       
CONECT    7    6    6    8   36                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   20                                       
CONECT   10   11   11    9   37                                       
CONECT   11    6   12   10   10                                       
CONECT   12   11   16   16   13                                       
CONECT   13   12   14   38                                            
CONECT   14   15   15   13   18                                       
CONECT   15   16   14   14                                            
CONECT   16   17   12   12   15                                       
CONECT   17   16   39   40   41                                       
CONECT   18   14   19                                                 
CONECT   19   18   42   43   44                                       
CONECT   20    9   21   45                                            
CONECT   21   20    1    1    3                                       
CONECT   22    1   23   23   46                                       
CONECT   23   22   22    2   24                                       
CONECT   24   23   27   25                                            
CONECT   25   24    4   47   48                                       
CONECT   26    5    4                                                 
CONECT   27   24    5   49   50                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
