REMARK  Name = BDB062218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.705   0.653  -1.984  0.00  0.00    +0.161 C 
ATOM      2  N   LIG    1        2.707   1.928  -2.415  0.00  0.00    -0.260 N 
ATOM      3  H   LIG    1        3.361   2.345  -3.052  0.00  0.00    +0.157 HD
ATOM      4  C   LIG    1        1.654   2.561  -1.844  0.00  0.00    +0.268 C 
ATOM      5  O   LIG    1        1.300   3.714  -1.975  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.038   1.481  -1.014  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1       -0.065   1.692  -0.285  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.765   0.317  -1.162  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -0.766   0.703   0.549  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -2.165   0.778   0.639  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.818  -0.128   1.450  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -4.164  -0.196   1.640  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -4.251  -1.304   2.559  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -2.968  -1.869   2.902  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -2.139  -1.080   2.169  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -0.767  -1.178   2.121  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -0.077  -0.271   1.306  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  19
ATOM     18  C   LIG    1        3.510  -1.922  -1.818  0.00  0.00    +0.093 C 
ATOM     19  S   LIG    1        3.962  -0.352  -2.587  0.00  0.00    -0.094 S 
ENDBRANCH   1  19
TORSDOF 2