REMARK  Name = BDB058910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.746   0.061   0.868  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.711  -0.396   1.795  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -1.447  -0.308   2.445  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.684   0.141   1.325  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1       -0.665   0.542   0.478  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1       -0.835   0.601  -0.531  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -3.080   0.255   0.830  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -3.395   0.725  -0.447  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -2.430   1.098  -1.302  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.719   0.817  -0.873  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -5.751   0.435  -0.018  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -5.455  -0.038   1.260  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.126  -0.129   1.684  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1        1.415  -1.070  -0.242  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1        0.708  -0.893  -1.495  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        1.445  -2.328   0.470  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.059  -0.492  -0.464  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1        4.008  -1.387  -0.939  0.00  0.00    +0.150 A 
ATOM     19  F   LIG    1        3.680  -2.647  -1.255  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        5.329  -0.981  -1.116  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        5.698   0.330  -0.816  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.744   1.233  -0.343  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.420   0.826  -0.165  0.00  0.00    +0.031 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4