REMARK  Name = BDB041464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.087  -1.420  -0.372  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1        0.192  -0.464  -0.033  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        1.198  -2.159  -0.790  0.00  0.00    +0.266 C 
ATOM      4  O   LIG    1        1.156  -3.353  -1.047  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.480  -1.416  -0.926  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        2.608  -0.053  -0.658  0.00  0.00    +0.150 A 
ATOM      7  F   LIG    1        1.536   0.653  -0.257  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        3.841   0.600  -0.799  0.00  0.00    +0.059 A 
ATOM      9 BR   LIG    1        3.895   2.463  -0.421  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1        4.981  -0.109  -1.217  0.00  0.00    -0.009 A 
ATOM     11  C   LIG    1        4.845  -1.482  -1.490  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        3.613  -2.126  -1.347  0.00  0.00    +0.016 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.348   0.524  -1.367  0.00  0.00    +0.179 C 
BRANCH  13  14
ATOM     14  N   LIG    1        7.028   0.686  -0.087  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.424   1.912   0.312  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        8.026   1.689   1.482  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        8.046   0.325   1.822  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        7.407  -0.303   0.779  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.399  -2.107  -0.058  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.299  -2.941   1.120  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.934  -2.602  -1.309  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -1.934   0.201   1.362  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -2.388  -0.704   0.407  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.642  -0.523  -0.198  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -4.463   0.575   0.132  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -3.970   1.484   1.083  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -2.719   1.305   1.685  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.834   0.742  -0.548  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1       -6.616   1.990  -0.078  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -6.717  -0.488  -0.247  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -5.644   0.870  -2.075  0.00  0.00    +0.015 C 
ENDBRANCH  25  28
BRANCH  22  33
ATOM     32  C   LIG    1       -0.776  -0.282   3.295  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -0.688   0.071   1.911  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7