REMARK  Name = BDB023353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.983   1.608  -0.058  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.291   2.338   0.046  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.648   0.269  -0.289  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.483  -0.623  -0.285  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.773   0.060  -0.487  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.221  -1.234  -0.564  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.567  -1.199  -0.745  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.015   0.112  -0.791  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        4.389   0.363  -0.980  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        5.242  -0.749  -1.107  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        4.759  -2.069  -1.042  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        5.706  -3.224  -1.217  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        3.389  -2.314  -0.870  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        1.853   0.917  -0.626  0.00  0.00    +0.067 A 
BRANCH   9  15
ATOM     15  O   LIG    1        4.779   1.674  -1.023  0.00  0.00    -0.494 OA
ATOM     16  C   LIG    1        6.153   1.934  -1.280  0.00  0.00    +0.277 C 
ENDBRANCH   9  15
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  S   LIG    1       -2.544   2.166   0.076  0.00  0.00    +0.078 S 
ATOM     18  O   LIG    1       -3.220   1.811  -1.150  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.399   3.552   0.474  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -4.401   0.613   1.438  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -3.187   1.297   1.477  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -2.431   1.316   2.661  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -2.888   0.643   3.796  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.104  -0.035   3.757  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.864  -0.039   2.587  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -5.219   0.647   0.344  0.00  0.00    -0.490 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -5.991  -0.435  -1.641  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -5.191  -0.601  -0.361  0.00  0.00    +0.226 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6