REMARK  Name = BDB059239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.737  -0.603   0.624  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.768  -1.637   0.643  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -1.385  -2.316   0.681  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.679  -1.125   0.639  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1       -0.727  -0.125   0.751  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1       -0.900   0.775   0.297  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -3.084  -0.687   0.418  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -3.538   0.580   0.808  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -4.868   0.935   0.575  0.00  0.00    +0.014 A 
ATOM     10  I   LIG    1       -5.547   2.816   1.150  0.00  0.00    -0.044 I 
ATOM     11  C   LIG    1       -5.749   0.041  -0.034  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -5.300  -1.226  -0.408  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.973  -1.591  -0.179  0.00  0.00    +0.013 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1        1.500  -0.076  -0.818  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1        1.586  -1.199  -1.723  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.822   1.151  -1.199  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.115   0.332  -0.267  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1        3.880  -0.650   0.348  0.00  0.00    +0.150 A 
ATOM     19  F   LIG    1        3.397  -1.885   0.540  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        5.167  -0.360   0.790  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        5.689   0.923   0.612  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.920   1.911  -0.007  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.628   1.619  -0.450  0.00  0.00    +0.031 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4