REMARK  Name = BDB049695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242   1.002  -0.340  0.00  0.00    +0.278 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.050   0.334   0.029  0.00  0.00    +0.049 A 
ATOM      3  S   LIG    1        2.557   1.106  -0.340  0.00  0.00    -0.005 S 
ATOM      4  N   LIG    1        3.455  -0.192   0.346  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        2.627  -1.198   0.849  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        2.904  -2.254   1.400  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        1.204  -0.845   0.640  0.00  0.00    +0.086 A 
BRANCH   4   8
ATOM      8  C   LIG    1        4.888  -0.190   0.373  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        5.635   0.876  -0.163  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        7.035   0.881  -0.138  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        7.727  -0.184   0.424  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.017  -1.250   0.961  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.616  -1.252   0.934  0.00  0.00    +0.027 A 
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  O   LIG    1       -1.354   0.188   0.059  0.00  0.00    -0.445 OA
BRANCH  14  16
ATOM     15  O   LIG    1       -2.700   1.808  -0.803  0.00  0.00    -0.226 OA
ATOM     16  C   LIG    1       -2.564   0.731  -0.245  0.00  0.00    +0.405 C 
ATOM     17  N   LIG    1       -3.533  -0.132   0.181  0.00  0.00    -0.251 N 
ATOM     18  H   LIG    1       -3.172  -0.967   0.619  0.00  0.00    +0.158 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.928   0.005   0.084  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -5.712  -1.033   0.605  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -7.106  -0.972   0.546  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -7.730   0.129  -0.034  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.959   1.166  -0.553  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.563   1.105  -0.495  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5