REMARK  Name = BDB023205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.414   1.777   0.584  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.445   1.429   1.534  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.339   1.530  -0.277  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.353   1.873  -1.449  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.246   0.813   0.354  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.814   0.450  -0.441  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        1.716  -0.201   0.339  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.256  -0.272   1.643  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.066  -0.920   2.582  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.294  -1.463   2.190  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.744  -1.364   0.864  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        1.673  -1.029   3.859  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        2.933  -0.728  -0.093  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.004   0.383   1.649  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        4.983  -1.926   0.485  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        5.807  -1.536  -0.626  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        6.933  -2.334   0.039  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.119  -2.176   1.327  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.751   2.667   0.171  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -3.307   3.951  -0.326  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -4.627   2.602   1.321  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.421  -0.040   0.422  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1       -5.201   0.573  -0.928  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -4.490   1.752  -1.146  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -4.376   2.244  -2.452  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -4.957   1.545  -3.503  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -5.637   0.380  -3.209  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1       -5.770  -0.114  -1.958  0.00  0.00    -0.258 NA
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 4