REMARK  Name = BDB058894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.501   0.259   0.687  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.422   0.199   1.715  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -0.863   0.657   0.094  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.001   0.395  -0.886  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1       -1.928   0.630   0.977  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1       -1.752   0.574   2.193  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1       -3.300   0.657   0.407  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -3.547   0.675  -0.967  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -2.538   0.663  -1.851  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.851   0.700  -1.462  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -5.929   0.707  -0.578  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -5.699   0.688   0.797  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.391   0.662   1.289  0.00  0.00    +0.016 A 
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        1.077  -1.253   0.117  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        0.492  -1.488  -1.188  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.895  -2.192   1.202  0.00  0.00    -0.152 OA
BRANCH  14  19
ATOM     17  C   LIG    1        2.442   0.537  -2.152  0.00  0.00    +0.046 C 
ATOM     18  C   LIG    1        3.315  -0.114  -1.116  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        2.818  -0.923  -0.076  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.696  -1.525   0.841  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        5.071  -1.322   0.734  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.575  -0.527  -0.290  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.707   0.067  -1.208  0.00  0.00    +0.005 A 
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4