REMARK  Name = BDB003244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.742  -0.527   0.053  0.00  0.00    +0.169 A 
ATOM      2  S   LIG    1       -1.237  -2.175   0.209  0.00  0.00    -0.011 S 
ATOM      3  C   LIG    1       -2.979  -2.068   0.258  0.00  0.00    +0.235 A 
ATOM      4  O   LIG    1       -3.638  -3.096   0.367  0.00  0.00    -0.279 OA
ATOM      5  C   LIG    1       -3.521  -0.749   0.166  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -2.834   0.424   0.044  0.00  0.00    +0.085 A 
ATOM      7  C   LIG    1       -3.672   1.565  -0.024  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.003   1.216   0.050  0.00  0.00    +0.048 A 
ATOM      9  S   LIG    1       -5.210  -0.478   0.200  0.00  0.00    -0.091 S 
ATOM     10  N   LIG    1       -1.451   0.551  -0.013  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1        1.718  -2.289   0.119  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        1.755  -1.068   0.015  0.00  0.00    +0.285 C 
ATOM     13  N   LIG    1        0.616  -0.261  -0.015  0.00  0.00    -0.258 N 
ATOM     14  H   LIG    1        0.766   0.731  -0.103  0.00  0.00    +0.157 HD
BRANCH  12  15
ATOM     15  C   LIG    1        3.007  -0.330  -0.089  0.00  0.00    +0.189 A 
ATOM     16  O   LIG    1        4.173  -1.054  -0.067  0.00  0.00    -0.458 OA
ATOM     17  C   LIG    1        5.206  -0.184  -0.175  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1        4.739   1.104  -0.268  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        3.325   1.015  -0.213  0.00  0.00    +0.054 A 
ENDBRANCH  12  15
ENDBRANCH   1  13
TORSDOF 2