REMARK  Name = BDB001685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.471  -0.272  -0.064  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1       -0.209  -1.142  -1.356  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1       -1.790  -0.799  -0.768  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.675  -0.028   0.399  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -2.843   0.386   1.076  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -4.056  -0.002   0.539  0.00  0.00    +0.168 A 
ATOM      7  O   LIG    1       -5.277   0.304   1.056  0.00  0.00    -0.453 OA
ATOM      8  C   LIG    1       -6.147  -0.345   0.107  0.00  0.00    +0.466 C 
ATOM      9  O   LIG    1       -5.435  -1.021  -0.949  0.00  0.00    -0.453 OA
ATOM     10  C   LIG    1       -4.145  -0.757  -0.603  0.00  0.00    +0.167 A 
ATOM     11  C   LIG    1       -3.034  -1.186  -1.302  0.00  0.00    +0.066 A 
ATOM     12  N   LIG    1       -0.376   0.262   0.783  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1        2.705  -1.283  -1.695  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        2.835  -0.611  -0.679  0.00  0.00    +0.285 C 
ATOM     15  N   LIG    1        1.819  -0.121   0.108  0.00  0.00    -0.258 N 
ATOM     16  H   LIG    1        2.078   0.422   0.922  0.00  0.00    +0.157 HD
BRANCH  14  17
ATOM     17  C   LIG    1        4.147  -0.241  -0.174  0.00  0.00    +0.189 A 
ATOM     18  O   LIG    1        4.242   0.514   0.969  0.00  0.00    -0.458 OA
ATOM     19  C   LIG    1        5.564   0.710   1.210  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1        6.327   0.096   0.245  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        5.416  -0.517  -0.647  0.00  0.00    +0.054 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 2