REMARK  Name = BDB002047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.085  -0.629   0.755  0.00  0.00    -0.178 NA
ATOM      2  C   LIG    1       -0.078  -0.194   1.786  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1        1.020   0.710   1.195  0.00  0.00    +0.122 C 
ATOM      4  N   LIG    1        1.748   0.028   0.107  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1        1.065  -1.116  -0.514  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1       -0.454  -0.868  -0.592  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.115   0.230  -0.056  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1        3.999  -0.747  -0.561  0.00  0.00    +0.144 A 
ATOM      9  F   LIG    1        3.554  -1.975  -0.880  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1        5.366  -0.511  -0.726  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        5.903   0.727  -0.395  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        5.065   1.721   0.097  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        3.695   1.473   0.260  0.00  0.00    +0.026 A 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     14  S   LIG    1       -2.502   0.320   0.749  0.00  0.00    +0.032 S 
ATOM     15  O   LIG    1       -2.195   1.548   0.048  0.00  0.00    -0.158 OA
ATOM     16  O   LIG    1       -2.997   0.345   2.109  0.00  0.00    -0.158 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.616  -0.671  -0.247  0.00  0.00    +0.185 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -5.867   0.043   0.721  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -4.959   0.008  -0.498  0.00  0.00    +0.021 C 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4