COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1      -0.105  -0.370   1.034  1.00  0.00           C  
HETATM    2  C   UNK     1       0.887   0.564   0.457  1.00  0.00           C  
HETATM    3  C   UNK     1       3.059   0.976  -0.231  1.00  0.00           C  
HETATM    4  C   UNK     1       1.442   2.734  -0.458  1.00  0.00           C  
HETATM    5  C   UNK     1      -2.685   3.629   0.107  1.00  0.00           C  
HETATM    6  C   UNK     1      -3.296   2.622   0.793  1.00  0.00           C  
HETATM    7  C   UNK     1      -3.393   4.852  -0.304  1.00  0.00           C  
HETATM    8  N   UNK     1      -4.438  -3.726  -3.591  1.00  0.00           N  
HETATM    9  C   UNK     1      -5.045  -2.681  -2.757  1.00  0.00           C  
HETATM   10  C   UNK     1      -4.492  -2.770  -1.358  1.00  0.00           C  
HETATM   11  N   UNK     1      -3.447  -2.144  -0.942  1.00  0.00           N  
HETATM   12  C   UNK     1      -3.095  -2.328   0.324  1.00  0.00           C  
HETATM   13  C   UNK     1      -3.908  -3.166   1.003  1.00  0.00           C  
HETATM   14  S   UNK     1      -5.168  -3.709  -0.101  1.00  0.00           S  
HETATM   15  C   UNK     1      -1.919  -1.675   0.936  1.00  0.00           C  
HETATM   16  N   UNK     1      -1.109  -0.862   0.326  1.00  0.00           N  
HETATM   17  C   UNK     1      -0.047  -0.783   2.317  1.00  0.00           C  
HETATM   18  S   UNK     1      -1.393  -1.883   2.603  1.00  0.00           S  
HETATM   19  N   UNK     1       2.140   0.171   0.288  1.00  0.00           N  
HETATM   20  C   UNK     1       2.736   2.277  -0.621  1.00  0.00           C  
HETATM   21  C   UNK     1       0.491   1.864   0.086  1.00  0.00           C  
HETATM   22  C   UNK     1      -0.907   2.302   0.268  1.00  0.00           C  
HETATM   23  N   UNK     1      -1.401   3.426  -0.155  1.00  0.00           N  
HETATM   24  S   UNK     1      -2.160   1.380   1.090  1.00  0.00           S  
HETATM   25  O   UNK     1      -2.737   5.816  -0.980  1.00  0.00           O  
HETATM   26  O   UNK     1      -4.570   4.992  -0.034  1.00  0.00           O  
HETATM   27  C   UNK     1       4.443   0.486  -0.404  1.00  0.00           C  
HETATM   28  N   UNK     1       4.863  -0.698  -0.081  1.00  0.00           N  
HETATM   29  C   UNK     1       6.144  -0.943  -0.317  1.00  0.00           C  
HETATM   30  C   UNK     1       6.834   0.096  -0.868  1.00  0.00           C  
HETATM   31  S   UNK     1       5.771   1.417  -1.086  1.00  0.00           S  
HETATM   32  C   UNK     1       6.774  -2.235  -0.001  1.00  0.00           C  
HETATM   33  O   UNK     1       7.955  -2.408  -0.232  1.00  0.00           O  
HETATM   34  O   UNK     1       6.043  -3.227   0.543  1.00  0.00           O  
HETATM   35  H   UNK     1       1.169   3.737  -0.752  1.00  0.00           H  
HETATM   36  H   UNK     1      -4.332   2.611   1.098  1.00  0.00           H  
HETATM   37  H   UNK     1      -4.581  -4.640  -3.188  1.00  0.00           H  
HETATM   38  H   UNK     1      -4.793  -3.688  -4.535  1.00  0.00           H  
HETATM   39  H   UNK     1      -4.816  -1.702  -3.177  1.00  0.00           H  
HETATM   40  H   UNK     1      -6.126  -2.820  -2.730  1.00  0.00           H  
HETATM   41  H   UNK     1      -3.804  -3.452   2.039  1.00  0.00           H  
HETATM   42  H   UNK     1       0.697  -0.489   3.043  1.00  0.00           H  
HETATM   43  H   UNK     1       3.493   2.923  -1.041  1.00  0.00           H  
HETATM   44  H   UNK     1      -3.244   6.601  -1.229  1.00  0.00           H  
HETATM   45  H   UNK     1       7.883   0.084  -1.129  1.00  0.00           H  
HETATM   46  H   UNK     1       6.501  -4.058   0.733  1.00  0.00           H  
CONECT    1    2   17   17   16                                       
CONECT    2   19   19   21    1                                       
CONECT    3   27   20   20   19                                       
CONECT    4   20   21   21   35                                       
CONECT    5   23    6    6    7                                       
CONECT    6   24    5    5   36                                       
CONECT    7    5   26   26   25                                       
CONECT    8    9   37   38                                            
CONECT    9   10    8   39   40                                       
CONECT   10   11   11   14    9                                       
CONECT   11   12   10   10                                            
CONECT   12   15   13   13   11                                       
CONECT   13   12   12   14   41                                       
CONECT   14   13   10                                                 
CONECT   15   18   16   16   12                                       
CONECT   16    1   15   15                                            
CONECT   17    1    1   18   42                                       
CONECT   18   17   15                                                 
CONECT   19    3    2    2                                            
CONECT   20    3    3    4   43                                       
CONECT   21    4    4    2   22                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22    5                                            
CONECT   24   22    6                                                 
CONECT   25    7   44                                                 
CONECT   26    7    7                                                 
CONECT   27   28   28   31    3                                       
CONECT   28   29   27   27                                            
CONECT   29   32   30   30   28                                       
CONECT   30   29   29   31   45                                       
CONECT   31   30   27                                                 
CONECT   32   33   33   34   29                                       
CONECT   33   32   32                                                 
CONECT   34   32   46                                                 
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   25                                                      
CONECT   45   30                                                      
CONECT   46   34                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
