REMARK  Name = BDB056238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.131  -2.348  -0.271  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        2.501  -1.309  -0.115  0.00  0.00    +0.224 C 
ATOM      3  C   LIG    1        3.102   0.064  -0.110  0.00  0.00    +0.110 C 
ATOM      4  C   LIG    1        2.391   0.840   0.980  0.00  0.00    +0.130 C 
ATOM      5  C   LIG    1        3.058   2.207   1.002  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1        4.832   1.833   0.783  0.00  0.00    -0.158 S 
ATOM      7  N   LIG    1        0.951   0.932   0.700  0.00  0.00    -0.264 NA
ATOM      8  C   LIG    1        0.400  -0.158   0.277  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        4.577   0.115   0.222  0.00  0.00    +0.084 C 
ATOM     10  N   LIG    1        1.129  -1.292  -0.019  0.00  0.00    -0.270 N 
ATOM     11  H   LIG    1        0.678  -2.190  -0.129  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -1.076  -0.245   0.103  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.894   0.600   0.863  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.284   0.547   0.728  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -3.879  -0.350  -0.171  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -3.053  -1.178  -0.948  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -1.661  -1.127  -0.813  0.00  0.00    +0.012 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -5.380  -0.390  -0.337  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -5.815   0.451  -1.315  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.843  -1.627  -0.673  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -6.053  -0.036   0.792  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH   8  12
TORSDOF 2