REMARK  Name = BDB059359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -1.838   0.111  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.023  -0.623  -0.335  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.477   0.224  -0.154  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.269  -2.772   0.412  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -3.371  -4.090   2.265  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.839  -3.069   1.301  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.715  -2.219   0.610  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -3.216  -1.251  -0.273  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -1.828  -1.122  -0.451  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -0.948  -1.946   0.259  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.458  -2.920   1.127  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -4.090  -0.390  -0.997  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -3.592   0.551  -1.842  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -4.666   1.166  -2.338  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -5.864   0.644  -1.833  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -5.469  -0.354  -0.974  0.00  0.00    +0.114 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        2.546  -0.431  -0.132  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.963  -1.319   0.197  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.929   0.783   1.025  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.504   0.075   2.147  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.753   1.623   1.143  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.187   1.718   0.233  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        4.974   2.547   1.023  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        4.762   2.655   2.341  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        5.995   3.300   0.450  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.229   3.223  -0.923  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.436   2.395  -1.720  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.411   1.639  -1.146  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5