REMARK  Name = BDB022082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.400   0.828  -1.815  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.522   0.259  -0.733  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.445  -0.258  -0.015  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.098   0.003  -0.533  0.00  0.00    +0.118 C 
ATOM      5  C   LIG    1        0.975  -0.165   0.547  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1        0.944  -1.571   1.174  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.425  -2.246   1.054  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -1.571  -1.239   1.067  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.357   0.215   0.079  0.00  0.00    +0.084 A 
ATOM     10  S   LIG    1        3.056  -0.463  -1.340  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.485   0.460  -1.086  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.333   1.220   0.073  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.392   2.059   0.478  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.565   2.115  -0.282  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.694   1.347  -1.435  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.659   0.507  -1.857  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.122   1.068   0.727  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.889   0.129  -0.176  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -4.183   0.582   1.117  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -5.484   0.469   1.608  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -6.478  -0.078   0.801  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1       -7.726  -0.184   1.275  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -6.199  -0.507  -0.493  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -4.900  -0.397  -0.990  0.00  0.00    +0.016 A 
ENDBRANCH   2  18
TORSDOF 2