REMARK  Name = BDB018846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.691  -1.163  -0.644  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1        1.928  -1.299  -0.014  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1        2.737  -2.146  -0.421  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1        0.594  -1.679  -2.008  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.593   0.000   0.085  0.00  0.00    +0.053 A 
ATOM      6  N   LIG    1       -1.532  -0.324  -0.747  0.00  0.00    -0.229 NA
ATOM      7  C   LIG    1       -0.484  -0.709  -0.050  0.00  0.00    +0.167 A 
ATOM      8  S   LIG    1       -0.750  -0.793   1.636  0.00  0.00    -0.060 S 
ATOM      9  C   LIG    1       -2.335  -0.190   1.428  0.00  0.00    +0.072 A 
BRANCH   5  11
ATOM     10  C   LIG    1       -4.207   1.916  -0.093  0.00  0.00    +0.014 C 
ATOM     11  C   LIG    1       -3.868   0.494  -0.543  0.00  0.00    +0.032 C 
ATOM     12  C   LIG    1       -5.037  -0.453  -0.272  0.00  0.00    +0.014 C 
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1        2.351  -0.303   1.097  0.00  0.00    +0.170 C 
ATOM     14  N   LIG    1        3.812  -0.436   1.434  0.00  0.00    -0.258 N 
ATOM     15  C   LIG    1        4.571   0.679   0.824  0.00  0.00    +0.117 C 
ATOM     16  C   LIG    1        3.564   1.408  -0.052  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        2.241   1.159   0.653  0.00  0.00    +0.034 C 
BRANCH  14  18
ATOM     18  C   LIG    1        4.351  -1.454   2.113  0.00  0.00    +0.170 C 
ATOM     19  N   LIG    1        4.814  -2.312   2.736  0.00  0.00    -0.174 NA
ENDBRANCH  14  18
ENDBRANCH   2  13
TORSDOF 4