REMARK  Name = BDB023149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.497  -0.558  -1.667  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.096  -0.425  -2.586  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.728  -0.637  -0.499  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.235  -0.690   0.611  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.700  -0.602  -0.748  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.532  -0.520   0.342  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.813  -0.498  -0.111  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.831  -0.566  -1.494  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.078  -0.559  -2.128  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.248  -0.481  -1.366  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.202  -0.403   0.035  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.163  -0.627  -3.464  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.955  -0.421   0.685  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.471  -0.634  -1.900  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.396  -0.339   0.787  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.561   0.189   2.112  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.068   0.179   1.836  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.673   0.157   0.356  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.147  -0.758  -1.694  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.535  -0.491  -3.064  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.417  -2.035  -1.077  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.854   0.471   0.199  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1       -3.783   0.598  -0.715  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1       -3.140   1.841  -0.893  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -3.508   2.950  -0.134  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -4.518   2.823   0.808  0.00  0.00    +0.018 A 
ATOM     27 BR   LIG    1       -5.009   4.313   1.862  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1       -5.182   1.606   0.975  0.00  0.00    +0.021 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -7.173  -0.572   0.518  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -5.659  -0.808   0.392  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -5.147  -1.587   1.606  0.00  0.00    +0.012 C 
ENDBRANCH  22  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5