REMARK  Name = BDB003053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.004   2.189  -1.610  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1       -2.252   3.008  -0.648  0.00  0.00    -0.003 S 
ATOM      3  O   LIG    1       -3.293   3.465  -1.548  0.00  0.00    -0.169 OA
ATOM      4  O   LIG    1       -1.592   3.937   0.251  0.00  0.00    -0.169 OA
BRANCH   2   8
ATOM      5  C   LIG    1       -4.100  -0.331   1.867  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1       -3.250   0.610   2.459  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.684   1.638   1.704  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -2.964   1.713   0.339  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -3.825   0.791  -0.263  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -4.388  -0.234   0.504  0.00  0.00    +0.047 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -5.495  -2.230   2.188  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.580  -1.282   2.724  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        0.150   1.691  -0.758  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.163   0.956  -1.602  0.00  0.00    +0.215 C 
ATOM     15  N   LIG    1        2.294   0.602  -0.898  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1        2.294   0.721   0.107  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        0.983   0.691  -2.784  0.00  0.00    -0.276 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.351  -0.211  -1.494  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        4.689   0.018  -0.771  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1        5.043  -1.069   0.249  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        3.811  -1.654   0.924  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        2.843  -2.276  -0.084  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        2.963  -1.694  -1.495  0.00  0.00    +0.022 C 
ENDBRANCH  15  18
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6