REMARK  Name = BDB032641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.424   0.716  -2.168  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.214   1.635  -2.541  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.401   0.148  -1.212  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.101  -0.927  -0.483  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.181  -1.136   0.352  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.130  -0.190   0.113  0.00  0.00    +0.170 A 
ATOM      7  C   LIG    1        1.670   0.658  -0.867  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.330  -0.246   0.935  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        4.050  -1.437   1.171  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        5.190  -1.393   2.002  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.622  -0.197   2.572  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.924   0.978   2.324  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.789   0.953   1.512  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1        3.650  -2.761   0.560  0.00  0.00    +0.418 C 
ATOM     15  F   LIG    1        3.346  -2.675  -0.763  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        2.575  -3.324   1.175  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        4.641  -3.699   0.636  0.00  0.00    -0.166 F 
ENDBRANCH   9  14
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  S   LIG    1       -2.011   0.247  -2.439  0.00  0.00    +0.081 S 
ATOM     19  O   LIG    1       -1.977  -1.130  -2.882  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.577   1.274  -3.296  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.578  -0.629  -0.329  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -2.802   0.403  -0.864  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1       -2.655   1.596  -0.140  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.221   1.726   1.133  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -3.987   0.691   1.664  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -4.181  -0.475   0.926  0.00  0.00    +0.048 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -3.178  -2.893  -0.536  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -3.876  -1.755  -1.045  0.00  0.00    -0.493 OA
ENDBRANCH  21  28
BRANCH  23  29
ATOM     29  O   LIG    1       -1.910   2.637  -0.635  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -2.754   3.735  -1.000  0.00  0.00    +0.277 C 
ENDBRANCH  23  29
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7