REMARK  Name = BDB059237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.407   0.894   0.070  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.684   0.323  -0.559  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.680  -0.648  -0.865  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.346   1.975   0.650  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.092   0.207  -0.188  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -2.872   0.872  -0.111  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -1.682   0.139  -0.002  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -1.709  -1.261   0.070  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.929  -1.929   0.001  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -4.108  -1.190  -0.137  0.00  0.00    +0.091 A 
BRANCH   9  11
ATOM     11  O   LIG    1       -3.107  -3.284   0.057  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1       -1.954  -4.083   0.296  0.00  0.00    +0.277 C 
ENDBRANCH   9  11
BRANCH   5  13
ATOM     13  O   LIG    1       -5.325   0.783  -0.303  0.00  0.00    -0.492 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -5.469   2.845   0.971  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -5.423   2.203  -0.405  0.00  0.00    +0.225 C 
ENDBRANCH  13  15
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.058   0.849  -0.125  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        1.947   1.708   0.442  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.954  -0.287   0.795  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        2.922   0.124   2.179  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.476  -1.596   0.385  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.583  -0.075   0.179  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        5.170   1.181   0.258  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        4.507   2.223   0.778  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        6.464   1.380  -0.215  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        7.171   0.312  -0.771  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        6.581  -0.952  -0.851  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.284  -1.151  -0.376  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7