REMARK  Name = BDB022081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.725  -1.956  -1.051  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.058  -1.024  -0.607  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.729  -1.158  -0.208  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.070  -2.435  -0.465  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.445  -2.289  -0.489  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        0.985  -1.741   0.844  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -0.055  -0.888   1.594  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -1.018  -0.192   0.636  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.250  -0.954   0.601  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        3.785  -1.671   0.883  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.559  -0.216   0.386  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.583   0.719   0.036  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.994   1.994  -0.406  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        5.357   2.297  -0.486  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.311   1.349  -0.131  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.931   0.078   0.310  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        2.274   0.286   0.162  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.713   0.300  -0.499  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -4.961   0.384   0.132  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -5.610   1.616   0.222  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -5.014   2.746  -0.331  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1       -5.638   3.928  -0.243  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.786   2.668  -0.981  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -3.134   1.438  -1.075  0.00  0.00    +0.016 A 
ENDBRANCH   2  18
TORSDOF 2