REMARK  Name = BDB059251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.937  -1.812   0.137  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.237  -1.687  -0.865  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.737  -1.871  -2.143  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.303  -1.371  -2.920  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.185  -1.265  -0.760  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        1.590  -0.593   0.403  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        2.916  -0.166   0.554  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        3.833  -0.422  -0.474  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        3.438  -1.105  -1.627  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.116  -1.530  -1.771  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        3.319   0.548   1.762  0.00  0.00    -0.011 A 
ATOM     12  C   LIG    1        4.507   0.275   2.414  0.00  0.00    +0.053 A 
ATOM     13  S   LIG    1        4.735   1.244   3.807  0.00  0.00    -0.104 S 
ATOM     14  C   LIG    1        3.239   2.034   3.568  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.583   1.568   2.449  0.00  0.00    +0.016 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1       -2.269  -1.942  -2.247  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1       -2.690  -2.342  -1.395  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.012  -0.442  -2.638  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1       -2.007   0.323  -3.356  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1       -4.312  -0.704  -3.212  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.258   0.326  -1.075  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1       -3.927  -0.373  -0.080  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1       -4.361  -1.624  -0.292  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -4.133   0.208   1.168  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -3.666   1.500   1.415  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -2.992   2.205   0.414  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.785   1.619  -0.836  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5