REMARK  Name = BDB022000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.268  -0.792   1.697  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.478  -1.801   0.553  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -1.948  -2.127   0.322  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -2.730  -0.926   0.053  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.905  -1.070  -0.684  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -4.350  -2.160  -1.039  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.371   0.291   0.788  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.553  -0.021   2.038  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.670   0.140  -1.067  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -6.043   0.181  -0.795  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -6.790   1.300  -1.167  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.162   2.356  -1.821  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -6.881   3.428  -2.178  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -4.803   2.314  -2.118  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -4.051   1.198  -1.748  0.00  0.00    +0.016 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1        2.101  -0.481   1.288  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        2.104  -1.471   1.504  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        0.876   0.165   1.339  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        0.674   1.354   1.120  0.00  0.00    -0.275 OA
BRANCH  16  22
ATOM     20  C   LIG    1        5.750  -0.321   0.693  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        4.463  -0.787   0.992  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        3.359   0.079   0.981  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.562   1.424   0.674  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.846   1.899   0.390  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.937   1.031   0.404  0.00  0.00    +0.015 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.851  -1.168  -0.888  0.00  0.00    +0.090 C 
ATOM     27  S   LIG    1        7.112  -1.475   0.738  0.00  0.00    -0.129 S 
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4