REMARK  Name = BDB058899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.619  -0.934   0.109  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.258  -1.038   1.176  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.149  -0.426   1.986  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.339  -1.390  -1.000  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.485   0.979   1.748  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1        2.255   0.334   1.565  0.00  0.00    +0.177 A 
ATOM      7  F   LIG    1        1.393   0.282   2.595  0.00  0.00    -0.201 F 
ATOM      8  C   LIG    1        1.914  -0.243   0.339  0.00  0.00    +0.077 A 
ATOM      9  C   LIG    1        2.827  -0.169  -0.721  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        4.056   0.470  -0.549  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.385   1.043   0.682  0.00  0.00    +0.048 A 
BRANCH   5  13
ATOM     12  C   LIG    1        4.914   2.200   3.216  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        3.696   1.500   2.997  0.00  0.00    -0.492 OA
ENDBRANCH   5  13
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  N   LIG    1       -1.700  -1.393   0.806  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1       -1.723  -2.017  -0.013  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.728  -0.036   0.565  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -3.738  -0.065   1.601  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -1.897   1.134   0.360  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.494  -0.446  -0.982  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1       -4.805  -0.930  -1.004  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.397  -1.245  -2.227  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.684  -1.070  -3.415  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.378  -0.578  -3.387  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.779  -0.260  -2.168  0.00  0.00    +0.028 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5