REMARK  Name = BDB058877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.745  -0.599   0.586  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.363  -1.569  -0.326  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.870  -1.663  -1.207  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.020  -0.211   1.468  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        5.185  -0.225  -1.781  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        4.264   0.185  -0.672  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1        2.984  -0.377  -0.577  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1        2.606  -1.263  -1.513  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1        2.112  -0.029   0.458  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1        2.538   0.899   1.419  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        3.816   1.458   1.343  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.677   1.099   0.305  0.00  0.00    +0.006 A 
ENDBRANCH   1   9
BRANCH   2  13
ATOM     13  N   LIG    1       -1.144  -1.834  -0.405  0.00  0.00    -0.108 NA
ATOM     14  H   LIG    1       -1.586  -1.687   0.513  0.00  0.00    +0.172 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -1.959  -0.937  -1.625  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -1.090   0.143  -2.049  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1       -2.493  -1.885  -2.579  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -3.306  -0.237  -0.709  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -3.071   0.869   0.114  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -4.128   1.424   0.833  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.410   0.881   0.724  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.640  -0.217  -0.107  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.588  -0.780  -0.830  0.00  0.00    +0.028 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   2  13
TORSDOF 4