REMARK  Name = BDB023208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.249  -2.351  -0.715  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.784  -2.743  -1.525  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.603  -1.474   0.162  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.215  -0.824   0.997  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.829  -1.399  -0.050  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.529  -0.462   0.670  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.838  -0.560   0.319  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.006  -1.558  -0.626  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.303  -1.796  -1.095  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.371  -1.035  -0.611  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.173  -0.021   0.339  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.532  -2.752  -2.006  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.876   0.220   0.828  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.712  -2.096  -0.860  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.267   0.728   0.825  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.514   0.981   0.158  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.750   2.079   1.200  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.232   2.042   1.404  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.885  -2.615  -0.726  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.159  -3.387  -1.920  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.256  -3.136   0.572  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1        5.199   0.661  -0.094  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        4.537  -0.573   0.017  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        3.614  -1.021  -0.948  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        3.315  -0.231  -2.053  0.00  0.00    +0.068 A 
ATOM     26 CL   LIG    1        2.180  -0.662  -3.280  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        3.946   1.004  -2.181  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        4.867   1.437  -1.217  0.00  0.00    +0.024 A 
BRANCH  22  30
ATOM     29  C   LIG    1        6.450   0.261   2.003  0.00  0.00    +0.129 C 
ATOM     30  N   LIG    1        6.102   1.117   0.869  0.00  0.00    -0.336 N 
ATOM     31  C   LIG    1        7.120   2.089   0.474  0.00  0.00    +0.129 C 
ENDBRANCH  22  30
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5