REMARK  Name = BDB057169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.603  -0.559  -0.083  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -3.620  -1.478  -0.004  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -3.503  -2.480   0.031  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -4.816  -0.807   0.029  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -4.464   0.539  -0.031  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -5.481   1.516  -0.015  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -6.819   1.092   0.061  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -7.125  -0.263   0.119  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -8.409  -0.639   0.191  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -6.138  -1.250   0.105  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -3.090   0.666  -0.098  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        2.738  -0.449  -0.159  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1        1.266  -0.829  -0.142  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        0.783  -2.118  -0.267  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1       -0.643  -2.162  -0.241  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -1.210  -0.904  -0.136  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        1.726  -3.272  -0.405  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        3.113  -2.777  -0.862  0.00  0.00    +0.086 C 
ATOM     19  S   LIG    1        0.001   0.312  -0.087  0.00  0.00    -0.088 S 
ATOM     20  N   LIG    1        3.592  -1.659  -0.035  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.540  -1.416  -0.317  0.00  0.00    +0.123 HD
BRANCH  12  22
ATOM     22  C   LIG    1        3.100   0.533   0.978  0.00  0.00    +0.024 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.570   0.973   1.045  0.00  0.00    +0.002 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.468   2.212  -0.054  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.050   1.688  -0.218  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  12  22
ENDBRANCH   1  16
BRANCH   6  26
ATOM     26  C   LIG    1       -5.183   2.965  -0.075  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -6.080   3.800  -0.063  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -3.873   3.337  -0.143  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -3.641   4.318  -0.180  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -3.124   2.646  -0.148  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 5