REMARK  Name = BDB058911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.731  -0.398   0.744  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.732  -0.371   1.777  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -1.433  -0.409   2.400  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.700  -0.401   1.199  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1       -0.714  -0.561   0.241  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1       -0.878  -0.250  -0.721  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -3.096  -0.205   0.730  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -3.437  -0.136  -0.622  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -2.499  -0.238  -1.576  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.759   0.049  -1.022  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -5.764   0.167  -0.062  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -5.441   0.101   1.293  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.113  -0.084   1.689  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1        1.501   1.021   0.174  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        0.841   1.419  -1.052  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        1.633   1.916   1.301  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.103   0.391  -0.243  0.00  0.00    +0.108 A 
ATOM     18  C   LIG    1        3.261  -0.327  -1.432  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        4.523  -0.806  -1.769  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        4.736  -1.698  -3.224  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        5.619  -0.569  -0.937  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.455   0.158   0.244  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.195   0.644   0.594  0.00  0.00    +0.028 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4