REMARK  Name = BDB000701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.565   0.690  -0.576  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        1.648   1.476  -0.205  0.00  0.00    -0.231 N 
ATOM      3  H   LIG    1        1.753   1.786   0.762  0.00  0.00    +0.173 HD
ATOM      4  O   LIG    1        0.608  -0.037  -1.567  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   2   5
ATOM      5  N   LIG    1        2.871   1.198  -0.861  0.00  0.00    -0.230 N 
ATOM      6  H   LIG    1        2.778   0.637  -1.706  0.00  0.00    +0.173 HD
ATOM      7  C   LIG    1        4.004   1.089  -0.064  0.00  0.00    +0.267 C 
ATOM      8  O   LIG    1        3.954   1.442   1.118  0.00  0.00    -0.268 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.178   0.534  -0.723  0.00  0.00    +0.075 A 
ATOM     10  S   LIG    1        6.568   0.175   0.223  0.00  0.00    -0.092 S 
ATOM     11  C   LIG    1        7.438  -0.392  -1.133  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        6.700  -0.306  -2.291  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.398   0.230  -2.056  0.00  0.00    +0.021 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -0.636   0.850   0.356  0.00  0.00    +0.326 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -1.709   0.010  -0.031  0.00  0.00    -0.479 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -3.886  -0.832   0.324  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1       -2.853   0.040   0.728  0.00  0.00    +0.163 A 
ATOM     18  C   LIG    1       -3.044   0.863   1.845  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -4.245   0.822   2.555  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.263  -0.038   2.156  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.085  -0.864   1.044  0.00  0.00    +0.049 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -4.639  -2.492  -1.222  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -3.622  -1.606  -0.779  0.00  0.00    -0.491 OA
ENDBRANCH  16  23
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6