REMARK  Name = BDB023281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.194   0.033  -1.232  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.876  -0.410  -2.085  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.320   0.481  -0.234  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.724   0.922   0.831  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.079   0.312  -0.575  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.006   0.570   0.405  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.240   0.349  -0.120  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.132  -0.051  -1.441  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.317  -0.317  -2.138  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.551  -0.179  -1.495  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.632   0.218  -0.151  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.279  -0.703  -3.420  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.450   0.501   0.557  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.742  -0.072  -1.731  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.889   0.365   0.476  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.171   0.306   1.883  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.646   0.165   1.495  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        8.117  -0.295   0.133  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.822   0.370  -1.247  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.956   1.798  -1.078  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.319  -0.295  -2.435  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.696  -0.054   0.726  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.512  -0.496   0.130  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1       -2.860  -1.633   0.629  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -3.365  -2.278   1.757  0.00  0.00    +0.020 A 
ATOM     26 BR   LIG    1       -2.477  -3.802   2.437  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1       -4.511  -1.805   2.391  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.172  -0.690   1.877  0.00  0.00    +0.049 A 
BRANCH  22  29
ATOM     29  O   LIG    1       -5.407   1.021   0.270  0.00  0.00    -0.487 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -7.731   0.454  -0.138  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.351   0.663  -0.758  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1       -6.405   1.818  -1.754  0.00  0.00    +0.051 C 
ENDBRANCH  29  31
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6