REMARK  Name = BDB003528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.536   1.346   0.181  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.380  -0.034   0.005  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -0.135  -0.635   0.245  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1        0.983   0.133   0.616  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        0.820   1.517   0.763  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.422   2.116   0.547  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.294  -0.501   0.849  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        3.033  -1.157  -0.163  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.263  -1.760   0.145  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.777  -1.708   1.440  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.067  -1.057   2.441  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.839  -0.462   2.148  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  S   LIG    1        2.485  -1.279  -1.870  0.00  0.00    -0.128 S 
ATOM     14  C   LIG    1        3.019   0.352  -2.451  0.00  0.00    +0.090 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     15  C   LIG    1       -5.206   2.215   0.434  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -3.913   1.620   0.656  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -3.901   0.696   1.082  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -2.803   2.097  -0.004  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -2.787   3.134  -0.660  0.00  0.00    -0.270 OA
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  S   LIG    1       -2.739  -1.006  -0.577  0.00  0.00    -0.005 S 
ATOM     21  O   LIG    1       -3.212  -0.389  -1.799  0.00  0.00    -0.170 OA
ATOM     22  O   LIG    1       -3.613  -1.174   0.572  0.00  0.00    -0.170 OA
ATOM     23  C   LIG    1       -2.127  -2.606  -1.023  0.00  0.00    +0.200 C 
ENDBRANCH   2  20
TORSDOF 4