REMARK  Name = BDB056239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.766   3.543   0.153  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.541   2.337   0.212  0.00  0.00    +0.265 A 
ATOM      3  C   LIG    1        2.593   1.284   0.319  0.00  0.00    +0.094 A 
ATOM      4  S   LIG    1        4.234   1.813   0.443  0.00  0.00    -0.118 S 
ATOM      5  C   LIG    1        5.129   0.289   0.064  0.00  0.00    +0.075 C 
ATOM      6  C   LIG    1        4.545  -0.869   0.850  0.00  0.00    +0.017 C 
ATOM      7  C   LIG    1        3.115  -1.181   0.417  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        2.177   0.003   0.310  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1        0.854  -0.378   0.202  0.00  0.00    -0.233 NA
ATOM     10  C   LIG    1       -0.054   0.543   0.148  0.00  0.00    +0.141 A 
ATOM     11  N   LIG    1        0.256   1.877   0.168  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -0.442   2.594   0.047  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.494   0.184   0.041  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -1.840  -1.035  -0.556  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.181  -1.409  -0.675  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.199  -0.571  -0.197  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -3.846   0.639   0.422  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -2.503   1.015   0.541  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -5.649  -0.985  -0.302  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -6.496   0.075  -0.423  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -5.900  -1.786  -1.374  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -6.069  -1.677   0.792  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH  10  13
TORSDOF 2