REMARK  Name = BDB002452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.468   0.338   0.320  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1       -0.748   0.323  -0.554  0.00  0.00    +0.159 C 
ATOM      3  N   LIG    1       -1.491  -0.933  -0.371  0.00  0.00    -0.238 N 
ATOM      4  C   LIG    1       -1.424  -1.509   0.894  0.00  0.00    +0.164 C 
ATOM      5  S   LIG    1       -2.605  -2.712   1.331  0.00  0.00    -0.090 S 
ATOM      6  C   LIG    1       -2.737  -3.518  -0.266  0.00  0.00    +0.086 C 
ATOM      7  C   LIG    1       -3.237  -2.492  -1.246  0.00  0.00    +0.107 C 
ATOM      8  N   LIG    1       -0.530  -1.232   1.786  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -2.269  -1.353  -1.451  0.00  0.00    +0.223 C 
ATOM     10  O   LIG    1       -2.215  -0.816  -2.561  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        0.507  -0.396   1.445  0.00  0.00    +0.053 C 
ATOM     12  C   LIG    1        1.624  -0.366   2.455  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   2  13
ATOM     13  C   LIG    1       -1.714   1.475  -0.283  0.00  0.00    +0.015 A 
ATOM     14  S   LIG    1       -2.139   2.555  -1.550  0.00  0.00    -0.099 S 
ATOM     15  C   LIG    1       -3.158   3.466  -0.526  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -3.179   2.971   0.757  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -2.345   1.825   0.900  0.00  0.00    +0.013 A 
ENDBRANCH   2  13
BRANCH   1  18
ATOM     18  C   LIG    1        1.566   1.199  -0.156  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        1.401   2.307  -0.637  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        2.747   0.542  -0.067  0.00  0.00    -0.457 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.863   1.291  -0.552  0.00  0.00    +0.259 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.266  -0.722   0.127  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        5.137   0.510  -0.387  0.00  0.00    +0.006 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5