REMARK  Name = BDB023219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.904   1.324   2.114  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.195   0.897   1.217  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -0.690   0.446  -0.011  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.035   0.110  -0.713  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.241   0.748   1.314  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.938   0.223   0.253  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.252   0.196   0.608  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.415   0.695   1.891  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.713   0.731   2.413  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.789   0.278   1.642  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.599  -0.211   0.341  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.939   1.194   3.650  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.298  -0.265  -0.192  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.117   1.049   2.340  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.696  -0.674  -0.416  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        6.796  -0.798  -1.841  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        8.317  -0.913  -1.667  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        8.836  -2.165  -1.723  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        8.081  -0.336  -0.264  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  S   LIG    1       -2.158   0.881  -0.640  0.00  0.00    +0.075 S 
ATOM     21  O   LIG    1       -2.433   2.248  -0.260  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.079   0.494  -2.035  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.379  -0.177   0.108  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1       -4.733  -0.066  -0.266  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -5.262   0.885  -1.317  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -6.567   1.549  -0.869  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.573   0.604  -0.202  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -7.115  -0.851  -0.129  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -5.677  -0.940   0.317  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -5.274  -1.900   1.249  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.935  -1.996   1.617  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -2.989  -1.142   1.048  0.00  0.00    +0.029 A 
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 4