REMARK  Name = BDB065333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.443  -1.089  -2.607  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1        0.998  -0.530  -3.817  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -0.120  -2.421  -2.560  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.673  -0.947  -1.338  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        2.346   0.269  -1.181  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.316   0.410  -0.179  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        3.610  -0.689   0.664  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.582  -0.542   1.667  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        5.255   0.669   1.837  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.965   1.749   1.007  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.928  -1.904   0.481  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.002   1.621   0.005  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        1.962  -2.037  -0.518  0.00  0.00    +0.029 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1       -0.724  -0.031  -2.070  0.00  0.00    -0.182 NA
ATOM     15  H   LIG    1       -1.025   0.693  -2.727  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.685  -0.469  -1.058  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -2.660   1.698  -1.457  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1       -2.630   0.683  -0.759  0.00  0.00    +0.179 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.559   0.568   0.405  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.707  -0.619   1.132  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -4.592  -0.663   2.211  0.00  0.00    +0.042 A 
ATOM     22 CL   LIG    1       -4.769  -2.124   3.104  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -5.334   0.460   2.573  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.195   1.642   1.849  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.312   1.696   0.769  0.00  0.00    +0.011 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5