REMARK  Name = BDB029853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.222  -0.339   0.652  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.249  -1.146   1.108  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.114  -2.150   1.255  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.443   0.774   0.179  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.561  -0.460   0.420  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.226  -0.026   0.358  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.167  -0.862   0.748  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.456  -2.146   1.205  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.466  -2.973   1.581  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.776  -2.588   1.274  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.135  -4.175   1.843  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.826  -1.754   0.885  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.942   1.508  -0.850  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.548   1.307  -0.551  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.962   0.139  -0.149  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.625   0.443   0.009  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.404   1.768  -0.292  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.576   2.260  -0.624  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.661  -0.735   0.684  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.638   0.200   0.239  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.407  -1.848  -0.377  0.00  0.00    +0.049 S 
ATOM     22  O   LIG    1       -3.101  -3.169   0.139  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -3.025  -1.482  -1.724  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.157  -1.524  -0.119  0.00  0.00    +0.221 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.460  -0.059  -0.290  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1       -5.570   0.507  -1.569  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.837   1.868  -1.720  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.002   2.677  -0.598  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.900   2.127   0.677  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.632   0.766   0.832  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6