REMARK  Name = BDB018172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.545   0.385   0.037  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -0.960   0.013   1.233  0.00  0.00    -0.262 N 
ATOM      3  H   LIG    1       -1.526  -0.058   2.069  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.972   0.623  -1.020  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1       -5.081   0.658  -1.134  0.00  0.00    -0.266 N 
ATOM      6  C   LIG    1       -3.744   1.295  -0.879  0.00  0.00    +0.166 C 
ATOM      7  C   LIG    1       -3.063   0.399   0.154  0.00  0.00    +0.204 C 
ATOM      8  F   LIG    1       -3.458   0.769   1.414  0.00  0.00    -0.230 F 
ATOM      9  C   LIG    1       -3.660  -0.970  -0.128  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1       -5.117  -0.638  -0.410  0.00  0.00    +0.120 C 
BRANCH   5  12
ATOM     11  N   LIG    1       -7.116   1.925  -1.829  0.00  0.00    -0.174 NA
ATOM     12  C   LIG    1       -6.171   1.337  -1.514  0.00  0.00    +0.169 C 
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1        0.388  -0.139   1.377  0.00  0.00    +0.165 A 
ATOM     14  S   LIG    1        0.887  -0.489   2.968  0.00  0.00    -0.060 S 
ATOM     15  C   LIG    1        2.516  -0.535   2.421  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1        2.569  -0.291   1.060  0.00  0.00    +0.080 A 
ATOM     17  N   LIG    1        1.329  -0.064   0.476  0.00  0.00    -0.225 NA
BRANCH  16  18
ATOM     18  C   LIG    1        3.791  -0.252   0.257  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.042  -0.638   0.762  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        6.186  -0.584  -0.042  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.096  -0.146  -1.361  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.862   0.237  -1.879  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.720   0.183  -1.077  0.00  0.00    +0.010 A 
ENDBRANCH  16  18
ENDBRANCH   2  13
TORSDOF 4