REMARK  Name = BDB058889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.607   1.194  -0.198  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.863   2.125  -0.568  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        3.099   2.260  -0.442  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        3.069   1.115   0.001  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1        1.879   0.481   0.322  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.831  -0.537   0.251  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        4.317   0.323   0.177  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.389  -0.772   1.051  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        5.587  -1.480   1.182  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        6.703  -1.090   0.448  0.00  0.00    +0.123 A 
ATOM     11  F   LIG    1        7.848  -1.772   0.579  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        6.649  -0.000  -0.412  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        5.455   0.712  -0.546  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.192   0.326  -1.441  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        0.166  -1.070  -1.278  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.045   1.037  -2.677  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -1.886   0.534  -0.973  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -2.435  -0.307   0.000  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.782  -0.171   0.369  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.578   0.818  -0.258  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -5.925   0.951   0.114  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.481   0.122   1.090  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.698  -0.851   1.705  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.008   1.644  -1.242  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.357  -0.997   1.347  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.667   1.502  -1.604  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4