REMARK  Name = BDB001993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.592   0.316  -1.401  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.005  -0.404  -0.590  0.00  0.00    +0.235 C 
ATOM      3  N   LIG    1        0.379  -0.404  -0.486  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.151  -1.293   0.391  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        2.641  -1.388   0.010  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        3.256  -0.053  -0.056  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1        2.416   1.050  -0.565  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.157   0.540  -1.291  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.641   0.099  -0.008  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        5.555  -0.963  -0.169  0.00  0.00    +0.144 A 
ATOM     11  F   LIG    1        5.123  -2.209  -0.426  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        6.939  -0.781  -0.103  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        7.464   0.484   0.136  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        6.597   1.556   0.310  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.211   1.363   0.240  0.00  0.00    +0.026 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1       -1.771  -1.349   0.339  0.00  0.00    +0.230 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.186  -0.982   0.401  0.00  0.00    -0.159 N 
ATOM     18  S   LIG    1       -3.628   0.250   1.457  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -2.745   1.380   1.307  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -3.940  -0.339   2.739  0.00  0.00    -0.150 OA
ATOM     21  C   LIG    1       -5.115   0.572   0.617  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -5.245  -0.260  -0.487  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1       -6.360  -0.174  -1.306  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -7.343   0.767  -0.981  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -7.199   1.602   0.144  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -6.071   1.510   0.962  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1       -4.103  -1.179  -0.657  0.00  0.00    +0.268 C 
ATOM     28  O   LIG    1       -3.977  -1.987  -1.558  0.00  0.00    -0.268 OA
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 3