REMARK  Name = BDB022078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.541  -2.566  -0.430  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.954  -1.489  -0.358  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.632  -1.366   0.068  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.880  -2.594   0.308  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.621  -2.354   0.235  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        1.082  -1.311   1.268  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -0.036  -0.320   1.642  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -1.014  -0.104   0.491  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.298  -0.580   0.753  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        3.868  -1.023   1.289  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.557   0.194   0.286  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.532   0.856  -0.393  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.869   1.899  -1.278  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        5.211   2.252  -1.460  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.215   1.578  -0.773  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.907   0.539   0.111  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        2.251   0.405  -0.118  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.700  -0.274  -0.751  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -4.960  -0.052  -0.192  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -5.678   1.074  -0.574  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1       -6.881   1.304  -0.033  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -5.169   1.969  -1.511  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -3.921   1.733  -2.088  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.187   0.606  -1.715  0.00  0.00    +0.013 A 
ENDBRANCH   2  18
TORSDOF 2