REMARK  Name = BDB059281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.285  -0.070   1.347  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.442   0.426   0.277  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.311   0.002  -0.643  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.136  -0.022   2.500  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.526  -1.006  -0.399  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.313  -0.372  -0.129  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.589  -0.710   1.024  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -2.097  -1.658   1.921  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.322  -2.283   1.670  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -3.853  -3.326   2.608  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.019  -1.958   0.500  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.334  -0.782  -1.478  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -4.261   1.500  -2.292  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -3.870   0.053  -2.537  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        1.918   0.763   0.596  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        2.075   0.696   1.617  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.034  -0.275  -0.186  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        2.364  -0.750  -1.383  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        3.571  -1.190   0.792  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.303   0.835  -0.672  0.00  0.00    +0.145 A 
ATOM     21  C   LIG    1        4.951   1.582   0.304  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        4.608   1.479   1.595  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        5.968   2.467  -0.049  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        6.334   2.598  -1.389  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        5.677   1.843  -2.358  0.00  0.00    +0.125 A 
ATOM     26  F   LIG    1        6.031   1.972  -3.643  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        4.661   0.958  -2.016  0.00  0.00    +0.069 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6