REMARK  Name = BDB023158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.900   1.327   1.802  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.372   1.942   2.408  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.305   0.425   0.913  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.960  -0.224   0.111  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.141   0.386   1.014  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.822  -0.351   0.076  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.149  -0.252   0.352  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.347   0.545   1.466  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.664   0.748   1.894  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.723   0.158   1.197  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.496  -0.637   0.063  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.921   1.506   2.969  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.176  -0.860  -0.370  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.054   0.952   1.890  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.578  -1.236  -0.619  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.613  -1.668  -1.988  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.135  -1.741  -1.838  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.942  -0.786  -0.655  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.543   1.427   2.050  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -2.704   2.554   2.945  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.971   0.099   2.414  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.303   1.324  -0.084  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1       -3.174   1.922   0.475  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.505   2.936  -0.229  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -2.959   3.331  -1.490  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.086   2.729  -2.048  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.766   1.735  -1.343  0.00  0.00    +0.015 A 
BRANCH  22  29
ATOM     28  N   LIG    1       -4.984  -1.002   0.343  0.00  0.00    -0.301 N 
ATOM     29  C   LIG    1       -5.124   0.348   0.644  0.00  0.00    +0.248 C 
ATOM     30  O   LIG    1       -5.923   0.810   1.454  0.00  0.00    -0.270 OA
ATOM     31  C   LIG    1       -3.986  -1.560  -0.561  0.00  0.00    +0.132 C 
BRANCH  28  33
ATOM     32  C   LIG    1       -7.099  -2.266   0.354  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -5.802  -1.956   1.085  0.00  0.00    +0.104 C 
ENDBRANCH  28  33
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6