REMARK  Name = BDB033391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.856   2.096   0.929  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.938   1.237   0.099  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.525  -0.065   0.490  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.661  -0.778  -0.348  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -0.434  -2.006   0.235  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        0.133  -2.732  -0.183  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.088  -2.090   1.432  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.172  -0.260  -1.552  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -0.576   1.019  -1.928  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.774  -0.908   1.619  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -1.444   1.750  -1.120  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.797  -0.998  -2.304  0.00  0.00    -0.212 N 
ATOM     13  H   LIG    1        0.628  -0.925  -3.310  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.419  -0.471  -2.079  0.00  0.00    +0.096 S 
ATOM     15  O   LIG    1        2.515   0.866  -2.630  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1        3.258  -1.534  -2.595  0.00  0.00    -0.148 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.752  -0.336  -0.330  0.00  0.00    +0.237 A 
ATOM     18  S   LIG    1        3.333  -1.724   0.490  0.00  0.00    -0.054 S 
ATOM     19  C   LIG    1        3.269  -0.853   1.968  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1        2.798   0.420   1.730  0.00  0.00    +0.116 A 
ATOM     21 BR   LIG    1        2.540   1.704   3.098  0.00  0.00    -0.028 Br
ATOM     22  N   LIG    1        2.503   0.721   0.421  0.00  0.00    -0.214 NA
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  23
ATOM     23  C   LIG    1       -2.583  -0.622   2.763  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.238  -0.396   3.694  0.00  0.00    -0.191 NA
ENDBRANCH  10  23
TORSDOF 4