REMARK  Name = BDB029829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.022   0.236   0.748  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.107   0.834   1.598  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.426   1.446   2.353  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.711  -0.240  -0.342  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.743  -0.513   0.727  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.388  -0.429   0.363  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.442   0.188   1.198  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.867   0.728   2.411  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.991   1.331   3.232  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.209   0.652   2.784  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.735   1.321   4.283  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.144   0.036   1.950  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.806  -2.519  -1.312  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.468  -2.044  -1.068  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.019  -1.424   0.065  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.685  -1.162  -0.173  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.332  -1.614  -1.425  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.422  -2.138  -1.936  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.242   1.165   1.031  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.991   0.481   1.209  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.774   2.750   1.171  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.621   3.560   1.513  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.942   2.744   2.022  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.272   3.173  -0.493  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.107   2.174  -1.303  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -4.260   1.502  -0.561  0.00  0.00    +0.114 C 
ATOM     27  N   LIG    1       -3.694   0.203  -0.158  0.00  0.00    -0.181 NA
ATOM     28  C   LIG    1       -2.816  -0.265  -1.254  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -2.288   1.017  -1.895  0.00  0.00    +0.023 C 
BRANCH  27  30
ATOM     30  S   LIG    1       -4.742  -0.931   0.540  0.00  0.00    +0.035 S 
ATOM     31  O   LIG    1       -3.946  -2.096   0.860  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1       -5.504  -0.242   1.558  0.00  0.00    -0.158 OA
BRANCH  30  33
ATOM     33  C   LIG    1       -5.900  -1.475  -0.755  0.00  0.00    +0.148 C 
ATOM     34  C   LIG    1       -7.166  -0.671  -0.877  0.00  0.00    +0.029 C 
ATOM     35  C   LIG    1       -7.196  -2.026  -0.221  0.00  0.00    +0.029 C 
ENDBRANCH  30  33
ENDBRANCH  27  30
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8