REMARK  Name = BDB003592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.759   1.061  -0.402  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -2.012  -0.123  -0.548  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.619  -0.076  -0.699  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.031   1.161  -0.706  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.705   2.346  -0.586  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.090   2.294  -0.429  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.845   0.696   0.995  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -4.220   1.009  -0.237  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -5.032   1.283  -1.357  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -6.423   1.255  -1.261  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -7.014   0.961  -0.042  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -8.349   0.942   0.055  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.244   0.687   1.082  0.00  0.00    +0.053 A 
BRANCH   7  15
ATOM     14  C   LIG    1       -4.454  -1.318   2.847  0.00  0.00    +0.090 C 
ATOM     15  S   LIG    1       -3.892   0.367   2.484  0.00  0.00    -0.128 S 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  S   LIG    1        0.333  -1.561  -0.861  0.00  0.00    -0.005 S 
ATOM     17  O   LIG    1        0.875  -1.585  -2.203  0.00  0.00    -0.170 OA
ATOM     18  O   LIG    1        1.181  -1.648   0.313  0.00  0.00    -0.170 OA
ATOM     19  C   LIG    1       -0.786  -2.927  -0.757  0.00  0.00    +0.200 C 
ENDBRANCH   3  16
BRANCH   4  20
ATOM     20  C   LIG    1        1.487   1.306  -0.888  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        2.303   1.320   0.241  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1        1.785   1.351   1.605  0.00  0.00    +0.132 C 
ATOM     23  O   LIG    1        1.880   1.482  -2.037  0.00  0.00    -0.270 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.727   1.612   0.068  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.631   0.396  -0.212  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1        4.386  -0.266  -1.568  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        5.426  -1.353  -1.843  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        6.008  -1.895  -0.653  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        5.051  -2.039   0.390  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        4.608  -0.668   0.897  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   4  20
TORSDOF 6