REMARK  Name = BDB033557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.839  -0.391   0.768  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.483  -0.051   0.374  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.947  -1.199  -0.239  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.216  -1.346  -0.789  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.060  -0.227  -0.716  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -2.609   0.963  -0.105  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.026  -2.147  -0.217  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -1.327   1.074   0.463  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1        1.151  -1.639   0.407  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        1.700   0.477   1.425  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        1.436   1.457   1.510  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        3.337   0.200   1.635  0.00  0.00    +0.082 S 
ATOM     13  O   LIG    1        3.454  -0.984   2.461  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        3.901   1.457   2.086  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1        4.821  -1.168  -0.257  0.00  0.00    +0.153 A 
ATOM     16  C   LIG    1        3.971  -0.101   0.025  0.00  0.00    +0.211 A 
ATOM     17  C   LIG    1        3.628   0.748  -1.017  0.00  0.00    +0.246 A 
ATOM     18  N   LIG    1        4.059   0.570  -2.293  0.00  0.00    -0.219 NA
ATOM     19  C   LIG    1        4.883  -0.469  -2.531  0.00  0.00    +0.118 A 
ATOM     20  C   LIG    1        5.298  -1.351  -1.553  0.00  0.00    +0.067 A 
BRANCH  15  22
ATOM     21  C   LIG    1        4.691  -3.275   0.680  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        5.309  -1.986   0.724  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1        2.804   1.826  -0.764  0.00  0.00    -0.478 OA
ATOM     24  C   LIG    1        2.599   2.676  -1.888  0.00  0.00    +0.279 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  C   LIG    1       -4.464  -0.296  -1.278  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.454  -0.375  -0.212  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1       -5.941   0.756   0.345  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -6.816   0.309   1.250  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -6.890  -1.095   1.277  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -5.998  -1.511   0.317  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1       -0.826   2.189   1.075  0.00  0.00    -0.433 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -1.759   3.199   1.430  0.00  0.00    +0.541 C 
ATOM     33  F   LIG    1       -2.134   3.858   0.306  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -1.096   4.096   2.202  0.00  0.00    -0.166 F 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 9