REMARK  Name = BDB002833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.136  -1.836   1.743  0.00  0.00    +0.173 C 
ATOM      2  O   LIG    1       -1.440  -2.941   1.287  0.00  0.00    -0.291 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.571   1.618  -0.397  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -2.271   1.706   0.972  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -1.827   0.593   1.693  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1       -1.623  -0.620   1.035  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -1.903  -0.714  -0.334  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.372   0.397  -1.045  0.00  0.00    +0.050 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -3.423   2.664  -2.362  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -3.053   2.753  -0.993  0.00  0.00    -0.491 OA
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  O   LIG    1       -2.473   2.860   1.689  0.00  0.00    -0.491 OA
ATOM     12  C   LIG    1       -1.428   3.799   1.429  0.00  0.00    +0.277 C 
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   1  13
ATOM     13  C   LIG    1       -0.304  -1.667   3.004  0.00  0.00    +0.156 C 
BRANCH  13  14
ATOM     14  S   LIG    1        1.104  -2.823   3.009  0.00  0.00    -0.080 S 
BRANCH  14  15
ATOM     15  C   LIG    1        1.969  -2.223   1.644  0.00  0.00    +0.169 A 
ATOM     16  N   LIG    1        2.848  -3.029   0.983  0.00  0.00    -0.332 N 
ATOM     17  H   LIG    1        3.049  -3.989   1.220  0.00  0.00    +0.168 HD
ATOM     18  C   LIG    1        3.367  -2.303  -0.055  0.00  0.00    +0.086 A 
ATOM     19  C   LIG    1        2.741  -1.064   0.054  0.00  0.00    +0.179 A 
ATOM     20  N   LIG    1        2.975  -0.039  -0.794  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        3.875  -0.317  -1.763  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        4.541  -1.527  -1.934  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.290  -2.581  -1.057  0.00  0.00    +0.031 A 
ATOM     24  N   LIG    1        1.877  -1.028   1.116  0.00  0.00    -0.202 NA
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6