REMARK  Name = BDB033789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.840   1.847   0.723  0.00  0.00    +0.231 A 
ATOM      2  C   LIG    1       -1.456   3.163   0.743  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1       -0.103   3.366   0.638  0.00  0.00    +0.132 A 
ATOM      4  N   LIG    1        0.795   2.369   0.520  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1        0.322   1.118   0.515  0.00  0.00    +0.218 A 
ATOM      6  N   LIG    1       -0.977   0.821   0.602  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.423   4.278   0.861  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -1.816   5.501   0.876  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.309   4.333  -0.171  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.164   4.233   2.002  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   5  11
ATOM     11  N   LIG    1        1.173   0.029   0.403  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.571  -0.738   0.119  0.00  0.00    +0.149 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.386   0.225  -0.387  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        2.798  -1.096  -1.052  0.00  0.00    +0.039 C 
ATOM     15  C   LIG    1        3.329  -2.118  -0.053  0.00  0.00    +0.111 C 
ATOM     16  N   LIG    1        4.395  -1.535   0.773  0.00  0.00    -0.181 NA
ATOM     17  C   LIG    1        4.044  -0.286   1.469  0.00  0.00    +0.111 C 
ATOM     18  C   LIG    1        3.537   0.754   0.479  0.00  0.00    +0.039 C 
BRANCH  16  19
ATOM     19  S   LIG    1        5.986  -2.042   0.637  0.00  0.00    +0.029 S 
ATOM     20  O   LIG    1        6.708  -1.607   1.813  0.00  0.00    -0.158 OA
ATOM     21  O   LIG    1        5.989  -3.430   0.226  0.00  0.00    -0.158 OA
ATOM     22  C   LIG    1        6.569  -1.076  -0.738  0.00  0.00    +0.215 C 
ENDBRANCH  16  19
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  23
ATOM     23  O   LIG    1       -3.190   1.588   0.793  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.586   0.215   0.885  0.00  0.00    +0.237 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.497   0.685  -0.701  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -4.314  -0.244  -0.404  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -4.772  -1.706  -0.272  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -3.531  -2.541  -0.582  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -2.630  -1.658  -1.445  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -3.374  -0.336  -1.617  0.00  0.00    +0.010 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7