REMARK  Name = BDB059386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.220  -1.652  -0.459  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.105  -2.052  -1.447  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.965  -1.732  -2.406  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.524  -1.708   0.733  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.257  -0.171  -0.243  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1       -2.002  -0.699   0.102  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -1.105  -1.128  -0.885  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -1.485  -1.037  -2.226  0.00  0.00    +0.138 A 
ATOM      9  F   LIG    1       -0.641  -1.420  -3.198  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.740  -0.539  -2.595  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -3.110  -0.436  -4.045  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.619  -0.102  -1.596  0.00  0.00    +0.012 A 
BRANCH   5  13
ATOM     13  C   LIG    1       -4.214   0.288   0.832  0.00  0.00    +0.195 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.564   1.119   1.793  0.00  0.00    -0.375 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.721   3.250   2.450  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -3.411   2.466   1.351  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        2.569  -2.159  -1.003  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.627  -2.456  -0.019  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.490  -0.728  -1.259  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        4.540  -1.052  -2.201  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.570   0.363  -1.511  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.220  -0.483   0.338  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        3.442   0.048   1.371  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.015   0.246   2.627  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.356  -0.077   2.843  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.131  -0.597   1.804  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.565  -0.799   0.545  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 7