REMARK  Name = BDB059256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.603   2.540   1.985  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.003   1.578   1.511  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.655   0.571   0.820  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.145   0.050   0.102  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.477   1.469   1.622  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        2.149   0.246   1.486  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        3.550   0.199   1.603  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1        4.271   1.371   1.863  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        3.587   2.571   2.008  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        4.276   3.691   2.263  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        2.204   2.633   1.895  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  N   LIG    1        4.233  -1.036   1.462  0.00  0.00    -0.150 N 
ATOM     13  N   LIG    1        3.572  -2.198   1.204  0.00  0.00    -0.156 NA
ATOM     14  C   LIG    1        4.571  -3.083   1.146  0.00  0.00    +0.156 A 
ATOM     15  C   LIG    1        5.790  -2.439   1.368  0.00  0.00    +0.156 A 
ATOM     16  N   LIG    1        5.585  -1.136   1.570  0.00  0.00    -0.156 NA
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1       -2.110   0.894   0.424  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1       -2.436   1.740   0.918  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -2.325   1.133  -1.258  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -1.127   0.673  -1.933  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1       -2.810   2.487  -1.416  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.638   0.025  -1.622  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -3.425  -1.339  -1.478  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1       -2.249  -1.819  -1.049  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -4.444  -2.241  -1.771  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -5.681  -1.770  -2.213  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.895  -0.398  -2.363  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.873   0.506  -2.069  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5