REMARK  Name = BDB037192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.242   0.029   1.422  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.803  -0.877   1.579  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.639   0.909   0.514  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.154   1.935   0.098  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.718   0.455   0.077  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        1.132  -0.760   0.537  0.00  0.00    -0.238 NA
ATOM      7  C   LIG    1        2.367  -1.212   0.156  0.00  0.00    +0.149 A 
ATOM      8  C   LIG    1        3.204  -0.458  -0.688  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        2.728   0.785  -1.144  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.476   1.252  -0.761  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1        2.796  -2.584   0.670  0.00  0.00    +0.435 C 
ATOM     12  F   LIG    1        3.961  -2.536   1.377  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1        1.887  -3.181   1.489  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1        3.019  -3.468  -0.346  0.00  0.00    -0.164 F 
ENDBRANCH   7  11
BRANCH   8  15
ATOM     15  C   LIG    1        4.577  -0.921  -1.129  0.00  0.00    +0.180 C 
BRANCH  15  16
ATOM     16  N   LIG    1        5.632  -0.092  -0.557  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1        6.093   0.976  -1.240  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        7.037   1.479  -0.441  0.00  0.00    +0.134 A 
ATOM     19  C   LIG    1        7.188   0.736   0.743  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1        6.269  -0.281   0.637  0.00  0.00    +0.108 A 
ENDBRANCH  15  16
ENDBRANCH   8  15
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1       -2.790   0.157   1.999  0.00  0.00    +0.082 S 
ATOM     22  O   LIG    1       -3.078  -1.102   2.659  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -2.847   1.400   2.739  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -3.617  -0.743  -0.457  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.796   0.223   0.545  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.774   1.206   0.375  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.559   1.224  -0.786  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -5.347   0.287  -1.795  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -4.372  -0.693  -1.634  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -3.256  -2.995  -0.109  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -2.657  -1.716  -0.340  0.00  0.00    -0.493 OA
ENDBRANCH  24  31
BRANCH  26  32
ATOM     32  O   LIG    1       -5.080   2.108   1.356  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.547   3.398   1.046  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 8