REMARK  Name = BDB015366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -2.224  -1.016  -1.693  0.00  0.00    +0.080 S 
ATOM      2  O   LIG    1       -3.133  -1.058  -2.823  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.963  -2.213  -0.918  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.864   0.237  -0.595  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1       -3.535  -0.118   0.582  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1       -4.034   0.887   1.422  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -3.829   2.232   1.113  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -3.151   2.584  -0.050  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.676   1.592  -0.908  0.00  0.00    +0.032 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -3.818  -1.426   0.859  0.00  0.00    -0.404 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -3.189  -1.886   2.052  0.00  0.00    +0.575 C 
ATOM     12  F   LIG    1       -3.181  -3.236   2.058  0.00  0.00    -0.133 F 
ATOM     13  F   LIG    1       -1.917  -1.447   2.157  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1       -3.885  -1.472   3.136  0.00  0.00    -0.133 F 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     15  C   LIG    1        0.274   0.134  -1.449  0.00  0.00    +0.201 C 
ATOM     16  N   LIG    1       -0.744  -0.426  -2.234  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.707   0.170  -3.572  0.00  0.00    +0.158 C 
ATOM     18  C   LIG    1        0.608   0.945  -3.501  0.00  0.00    +0.166 C 
ATOM     19  N   LIG    1        1.040   0.964  -2.080  0.00  0.00    -0.253 NA
BRANCH  15  23
ATOM     20  N   LIG    1        2.927  -0.613   1.223  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1        2.424   0.739   0.881  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        0.882   0.795   0.814  0.00  0.00    +0.123 C 
ATOM     23  N   LIG    1        0.328  -0.198  -0.128  0.00  0.00    -0.300 N 
ATOM     24  C   LIG    1        0.818  -1.556   0.207  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1        2.362  -1.593   0.265  0.00  0.00    +0.103 C 
BRANCH  20  27
ATOM     26  C   LIG    1        5.045   0.127   2.320  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        4.396  -0.679   1.200  0.00  0.00    +0.081 C 
ENDBRANCH  20  27
ENDBRANCH  15  23
ENDBRANCH   1  16
TORSDOF 6