REMARK  Name = BDB033768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.833   0.901  -0.635  0.00  0.00    +0.232 A 
ATOM      2  C   LIG    1       -1.132   1.811  -1.381  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1        0.173   1.465  -1.623  0.00  0.00    +0.132 A 
ATOM      4  N   LIG    1        0.739   0.328  -1.172  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -0.029  -0.499  -0.455  0.00  0.00    +0.218 A 
ATOM      6  N   LIG    1       -1.308  -0.244  -0.164  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.734   3.064  -1.890  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -2.787   2.849  -2.726  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.197   3.875  -0.900  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -0.855   3.826  -2.602  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   5  11
ATOM     11  N   LIG    1        0.462  -1.689   0.031  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1       -0.198  -2.027   0.723  0.00  0.00    +0.149 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.870  -1.859   0.381  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        2.332  -0.890   1.470  0.00  0.00    +0.039 C 
ATOM     15  C   LIG    1        3.834  -1.038   1.667  0.00  0.00    +0.111 C 
ATOM     16  N   LIG    1        4.580  -0.682   0.431  0.00  0.00    -0.181 NA
ATOM     17  C   LIG    1        3.802  -0.746  -0.835  0.00  0.00    +0.111 C 
ATOM     18  C   LIG    1        2.803  -1.895  -0.835  0.00  0.00    +0.039 C 
BRANCH  16  19
ATOM     19  S   LIG    1        6.186  -1.234   0.390  0.00  0.00    +0.029 S 
ATOM     20  O   LIG    1        6.716  -1.150   1.734  0.00  0.00    -0.158 OA
ATOM     21  O   LIG    1        6.205  -2.478  -0.348  0.00  0.00    -0.158 OA
ATOM     22  C   LIG    1        6.982   0.031  -0.580  0.00  0.00    +0.215 C 
ENDBRANCH  16  19
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  23
ATOM     23  O   LIG    1       -3.150   1.196  -0.349  0.00  0.00    -0.467 OA
BRANCH  23  26
ATOM     24  C   LIG    1       -6.060   0.142  -0.909  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -5.347   0.488   0.388  0.00  0.00    +0.125 C 
ATOM     26  C   LIG    1       -3.849   0.184   0.379  0.00  0.00    +0.234 C 
ATOM     27  C   LIG    1       -3.559   0.174   1.873  0.00  0.00    +0.207 C 
ATOM     28  O   LIG    1       -4.707  -0.407   2.513  0.00  0.00    -0.373 OA
ATOM     29  C   LIG    1       -5.813  -0.340   1.585  0.00  0.00    +0.198 C 
BRANCH  25  30
ATOM     30  O   LIG    1       -5.579   1.881   0.656  0.00  0.00    -0.383 OA
ATOM     31  H   LIG    1       -5.007   2.386   0.049  0.00  0.00    +0.210 HD
ENDBRANCH  25  30
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 7