REMARK  Name = BDB059291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.767  -0.646   0.495  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.784  -1.677   0.410  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -1.367  -2.343   0.580  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.645  -1.151   0.683  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1       -0.672  -0.173   0.804  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1       -0.871   0.768   0.461  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -3.057  -0.685   0.640  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -3.453   0.540   1.190  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -4.794   0.922   1.120  0.00  0.00    +0.019 A 
ATOM     10 BR   LIG    1       -5.332   2.578   1.860  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -5.742   0.097   0.516  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -5.351  -1.129  -0.019  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.013  -1.522   0.046  0.00  0.00    +0.013 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1        1.400   0.015  -0.955  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1        1.384  -1.014  -1.968  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.709   1.278  -1.149  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.066   0.357  -0.521  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1        3.869  -0.685  -0.079  0.00  0.00    +0.150 A 
ATOM     19  F   LIG    1        3.388  -1.930   0.036  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        5.197  -0.447   0.266  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        5.719   0.844   0.165  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.911   1.893  -0.281  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.579   1.654  -0.626  0.00  0.00    +0.031 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4