REMARK  Name = BDB058862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.448  -0.652  -0.547  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.075  -1.159  -1.367  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        2.163  -1.194  -1.108  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.979  -0.529  -0.089  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1        0.707  -0.317   0.413  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        0.530   0.464   1.050  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        3.121   0.085   0.637  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        2.955   0.888   1.766  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        1.732   1.152   2.252  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        4.053   1.447   2.418  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        5.340   1.204   1.942  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        5.524   0.404   0.814  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.420  -0.153   0.163  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -1.290   0.727  -1.115  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -1.107   1.785  -0.142  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.943   0.897  -2.508  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.970   0.165  -1.012  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -3.625   0.192   0.226  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1       -4.953  -0.230   0.307  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -5.608  -0.663  -0.843  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1       -6.882  -1.067  -0.761  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.963  -0.681  -2.076  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1       -3.635  -0.261  -2.167  0.00  0.00    +0.031 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4