COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.503  -0.268  -1.273  1.00  0.00           C  
HETATM    2  C   UNL     1       7.004  -0.170   0.171  1.00  0.00           C  
HETATM    3  C   UNL     1       5.522   0.102   0.172  1.00  0.00           C  
HETATM    4  C   UNL     1       5.061   1.406   0.163  1.00  0.00           C  
HETATM    5  C   UNL     1       3.704   1.660   0.164  1.00  0.00           C  
HETATM    6  C   UNL     1       2.799   0.601   0.176  1.00  0.00           C  
HETATM    7  C   UNL     1       3.270  -0.711   0.185  1.00  0.00           C  
HETATM    8  C   UNL     1       4.628  -0.954   0.178  1.00  0.00           C  
HETATM    9  C   UNL     1       1.340   0.868   0.178  1.00  0.00           C  
HETATM   10  C   UNL     1       0.869   2.182   0.163  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.485   2.432   0.172  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.402   1.384   0.191  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.762   1.711   0.218  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.211   2.956   0.846  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.868   0.669  -0.472  1.00  0.00           S  
HETATM   16  O   UNL     1      -5.078   0.804   0.261  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.775   0.838  -1.879  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.213  -0.929  -0.097  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.820  -2.161  -0.028  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.904  -3.050   0.291  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.670  -2.393   0.436  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.394  -3.020   0.788  1.00  0.00           C  
HETATM   23  C   UNL     1       0.334  -3.447  -0.488  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.872  -1.080   0.192  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.934   0.062   0.196  1.00  0.00           C  
HETATM   26  C   UNL     1       0.437  -0.189   0.189  1.00  0.00           C  
HETATM   27  H   UNL     1       8.575  -0.464  -1.274  1.00  0.00           H  
HETATM   28  H   UNL     1       6.984  -1.079  -1.782  1.00  0.00           H  
HETATM   29  H   UNL     1       7.305   0.671  -1.790  1.00  0.00           H  
HETATM   30  H   UNL     1       7.202  -1.109   0.688  1.00  0.00           H  
HETATM   31  H   UNL     1       7.523   0.642   0.680  1.00  0.00           H  
HETATM   32  H   UNL     1       5.763   2.226   0.154  1.00  0.00           H  
HETATM   33  H   UNL     1       3.345   2.679   0.157  1.00  0.00           H  
HETATM   34  H   UNL     1       2.572  -1.536   0.194  1.00  0.00           H  
HETATM   35  H   UNL     1       4.994  -1.970   0.182  1.00  0.00           H  
HETATM   36  H   UNL     1       1.569   3.004   0.145  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.839   3.453   0.164  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.223   3.753   0.104  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.215   2.818   1.248  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.529   3.222   1.654  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.866  -2.363  -0.206  1.00  0.00           H  
HETATM   42  H   UNL     1       0.222  -2.307   1.336  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.578  -3.895   1.411  1.00  0.00           H  
HETATM   44  H   UNL     1       1.284  -3.913  -0.226  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.282  -4.160  -1.036  1.00  0.00           H  
HETATM   46  H   UNL     1       0.519  -2.572  -1.111  1.00  0.00           H  
HETATM   47  H   UNL     1       0.799  -1.206   0.198  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    4    2    8    8                                       
CONECT    4    5    5    3   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    9    7    7                                       
CONECT    7    6    6    8   34                                       
CONECT    8    3    3    7   35                                       
CONECT    9   10    6   26   26                                       
CONECT   10   11   11    9   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   11   13   25   25                                       
CONECT   13   14   12   15                                            
CONECT   14   13   38   39   40                                       
CONECT   15   13   17   17   16                                       
CONECT   15   16   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   24   24   19                                       
CONECT   19   18   20   20   41                                       
CONECT   20   21   19   19                                            
CONECT   21   24   22   20                                            
CONECT   22   21   23   42   43                                       
CONECT   23   22   44   45   46                                       
CONECT   24   25   18   18   21                                       
CONECT   25   12   12   26   24                                       
CONECT   26    9    9   25   47                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
