REMARK  Name = BDB023238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.599   2.420   1.116  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.232   2.491   2.057  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.067   1.682   0.131  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.477   1.326  -0.904  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.439   1.370   0.482  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.125   0.506  -0.334  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.376   0.354   0.177  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.518   1.115   1.326  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.751   1.071   1.985  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.787   0.280   1.476  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.620  -0.472   0.304  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.949   1.778   3.106  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.382  -0.447  -0.362  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.272   1.769   1.517  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.675  -1.274  -0.187  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        8.083  -1.083   0.025  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.303  -2.069  -1.127  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.871  -1.717  -1.540  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.225   2.754   1.071  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.479   3.572  -0.096  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.571   3.242   2.391  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.741   0.130   1.750  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.007   1.176   0.862  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.904   1.011  -0.206  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -4.566  -0.211  -0.423  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.287  -1.253   0.473  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.389  -1.088   1.539  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.536  -0.364  -1.608  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1       -4.780  -0.119  -2.932  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -6.187  -1.763  -1.705  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -6.681   0.663  -1.478  0.00  0.00    +0.015 C 
ENDBRANCH  25  28
BRANCH  22  33
ATOM     32  C   LIG    1       -1.827  -0.570   3.834  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -1.829   0.350   2.747  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6