REMARK  Name = BDB059255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.530   0.083   2.007  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.357  -0.475   0.926  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.906  -0.710   0.409  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.024  -0.749  -0.606  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.513  -0.894   0.088  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.754  -0.281   0.320  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        3.887  -0.629  -0.431  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        3.751  -1.616  -1.418  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        2.520  -2.235  -1.639  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        2.385  -3.455  -2.846  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        1.399  -1.885  -0.891  0.00  0.00    +0.033 A 
BRANCH   7  12
ATOM     12  C   LIG    1        5.171   0.022  -0.182  0.00  0.00    +0.135 A 
ATOM     13  O   LIG    1        6.214  -0.369  -0.978  0.00  0.00    -0.463 OA
ATOM     14  C   LIG    1        7.306   0.341  -0.599  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1        6.991   1.191   0.433  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        5.615   0.987   0.703  0.00  0.00    +0.050 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1       -2.048   0.039   1.126  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1       -1.712   0.441   2.017  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -2.733   1.299   0.189  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -2.526   2.519   0.939  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1       -2.254   1.154  -1.171  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.442   0.901   0.232  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -4.873  -0.274  -0.370  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1       -4.008  -1.112  -0.959  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -6.224  -0.609  -0.363  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -7.147   0.242   0.248  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -6.715   1.426   0.850  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.359   1.762   0.843  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5