REMARK  Name = BDB037128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.576   0.021  -1.087  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -1.477   0.200  -0.093  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.522  -0.496  -1.854  0.00  0.00    +0.266 C 
ATOM      4  O   LIG    1       -0.592  -0.731  -3.048  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.707  -0.788  -1.084  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.949  -0.513  -1.660  0.00  0.00    +0.139 A 
ATOM      7  F   LIG    1        2.000   0.052  -2.877  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        3.168  -0.767  -0.990  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1        3.088  -1.283   0.327  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        1.829  -1.562   0.902  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.648  -1.322   0.204  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  C   LIG    1        4.489  -0.442  -1.665  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        4.739  -0.837  -3.105  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        5.460  -1.552  -2.009  0.00  0.00    +0.009 C 
ENDBRANCH   8  12
BRANCH   9  15
ATOM     15  C   LIG    1        4.319  -1.519   1.180  0.00  0.00    +0.179 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.463  -0.485   2.198  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1        3.942  -0.670   3.431  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        4.278   0.444   4.086  0.00  0.00    +0.134 A 
ATOM     19  C   LIG    1        5.015   1.336   3.286  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1        5.126   0.704   2.070  0.00  0.00    +0.108 A 
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1       -3.091   0.344  -1.714  0.00  0.00    +0.082 S 
ATOM     22  O   LIG    1       -3.746  -0.916  -2.001  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -2.921   1.373  -2.715  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -4.873   2.092  -0.512  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.977   1.033  -0.334  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -3.805   0.500   0.951  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -4.458   1.068   2.051  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -5.318   2.147   1.870  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.525   2.658   0.591  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -6.210   2.029  -2.386  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -5.119   2.672  -1.725  0.00  0.00    -0.493 OA
ENDBRANCH  24  31
BRANCH  26  32
ATOM     32  O   LIG    1       -2.937  -0.537   1.183  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.662  -1.753   1.403  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 8