REMARK  Name = BDB062226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.535  -1.052  -3.416  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -0.642  -0.691  -2.253  0.00  0.00    +0.276 C 
ATOM      3  C   LIG    1        0.518  -0.570  -1.323  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1        1.770  -0.861  -1.701  0.00  0.00    +0.028 C 
ATOM      5  S   LIG    1       -0.040  -0.049   0.213  0.00  0.00    -0.051 S 
ATOM      6  C   LIG    1       -1.688  -0.008  -0.404  0.00  0.00    +0.156 C 
ATOM      7  N   LIG    1       -1.825  -0.351  -1.639  0.00  0.00    -0.154 NA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.963  -0.782  -0.852  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        3.441   0.453  -0.392  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        4.575   0.454   0.393  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1        5.170   1.555   0.926  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        6.282   0.953   1.622  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1        6.326  -0.484   1.497  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1        5.234  -0.707   0.718  0.00  0.00    +0.166 A 
ATOM     15  C   LIG    1        4.799  -1.937   0.275  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.650  -1.970  -0.522  0.00  0.00    +0.012 A 
ENDBRANCH   4   8
BRANCH   6  17
ATOM     17  N   LIG    1       -2.612   0.386   0.516  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1       -2.244   0.603   1.433  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.003   0.535   0.385  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -4.738   0.961   1.505  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -6.125   1.130   1.445  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.805   0.876   0.259  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.096   0.453  -0.861  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.708   0.285  -0.797  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 3