REMARK  Name = BDB029897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.186  -3.509  -1.514  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        2.067  -2.118  -0.968  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        0.824  -1.479  -0.932  0.00  0.00    +0.138 A 
ATOM      4  F   LIG    1       -0.243  -2.131  -1.421  0.00  0.00    -0.204 F 
ATOM      5  C   LIG    1        0.685  -0.198  -0.396  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.817   0.451   0.124  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        3.074  -0.170   0.109  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.185  -1.460  -0.434  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.231   0.515   0.661  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.537   0.329   0.258  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        6.304   1.172   1.016  0.00  0.00    -0.268 N 
ATOM     12  N   LIG    1        5.583   1.901   1.888  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        4.327   1.504   1.668  0.00  0.00    +0.142 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.752   1.345   0.961  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1        8.201   1.879  -0.399  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1        8.485   0.055   1.324  0.00  0.00    +0.032 C 
ENDBRANCH  11  14
ENDBRANCH   7   9
BRANCH   5  17
ATOM     17  C   LIG    1       -0.620   0.514  -0.344  0.00  0.00    +0.262 C 
ATOM     18  N   LIG    1       -1.719  -0.109  -0.907  0.00  0.00    -0.228 N 
ATOM     19  H   LIG    1       -1.714  -1.118  -1.082  0.00  0.00    +0.171 HD
ATOM     20  O   LIG    1       -0.711   1.618   0.191  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  N   LIG    1       -3.084   0.473  -0.518  0.00  0.00    -0.112 NA
ATOM     22  H   LIG    1       -2.947   1.354   0.006  0.00  0.00    +0.171 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -4.037  -0.595   0.416  0.00  0.00    +0.047 S 
ATOM     24  O   LIG    1       -3.704  -1.935  -0.024  0.00  0.00    -0.157 OA
ATOM     25  O   LIG    1       -3.884  -0.194   1.797  0.00  0.00    -0.157 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -5.694  -0.178  -0.157  0.00  0.00    +0.149 C 
ATOM     27  C   LIG    1       -5.994   1.321  -0.007  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1       -7.484   1.632   0.156  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -8.359   0.605  -0.548  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -8.143  -0.803   0.009  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -6.736  -1.032   0.565  0.00  0.00    +0.028 C 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 6