REMARK  Name = BDB009233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.392  -1.380  -0.296  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.281  -2.346  -1.303  0.00  0.00    +0.146 A 
ATOM      3  F   LIG    1        3.272  -2.527  -2.189  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        1.150  -3.150  -1.400  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.096  -2.977  -0.501  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.170  -1.994   0.497  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        1.336  -1.215   0.603  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        4.852  -1.095  -0.243  0.00  0.00    +0.157 C 
ATOM      9  N   LIG    1        3.509  -0.466  -0.204  0.00  0.00    -0.208 N 
BRANCH   9  10
ATOM     10  S   LIG    1        3.375   0.917  -1.219  0.00  0.00    +0.042 S 
ATOM     11  O   LIG    1        4.678   1.548  -1.292  0.00  0.00    -0.155 OA
ATOM     12  O   LIG    1        2.639   0.582  -2.419  0.00  0.00    -0.155 OA
ATOM     13  C   LIG    1        2.356   1.978  -0.216  0.00  0.00    +0.218 C 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   6  14
ATOM     14  C   LIG    1       -0.982  -1.786   1.454  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.401  -0.322   1.574  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1       -2.157   0.329   0.457  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -2.583  -0.456  -0.752  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -3.619   0.274  -1.613  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -3.243   1.738  -1.798  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -3.142   2.452  -0.449  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -2.429   1.638   0.596  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.020   2.358   1.827  0.00  0.00    +0.268 A 
ATOM     23  O   LIG    1       -2.259   3.550   1.991  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -1.363   1.611   2.767  0.00  0.00    -0.243 N 
ATOM     25  H   LIG    1       -1.081   2.084   3.619  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1       -1.035   0.297   2.658  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   6  14
TORSDOF 4