REMARK  Name = BDB055648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.041   0.562  -2.711  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.629   0.185  -1.714  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1        1.041  -0.135  -0.362  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1       -0.289  -0.022  -0.216  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.088  -0.241   1.057  0.00  0.00    +0.210 C 
ATOM      6  O   LIG    1       -0.730  -0.617   2.152  0.00  0.00    -0.285 OA
ATOM      7  C   LIG    1       -2.477   0.118   0.712  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.475   0.494  -0.634  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -3.652   0.857  -1.253  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -4.831   0.871  -0.484  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -4.807   0.505   0.883  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -3.613   0.117   1.497  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1       -1.214   0.348  -1.188  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -0.903   0.722  -2.080  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1        2.168  -0.507   0.509  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        2.285  -0.890   1.832  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.555  -1.182   2.344  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.696  -1.089   1.534  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        4.600  -0.700   0.188  0.00  0.00    +0.077 A 
ATOM     20  C   LIG    1        3.326  -0.420  -0.289  0.00  0.00    +0.053 A 
ATOM     21  N   LIG    1        2.987  -0.019  -1.580  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        3.636   0.135  -2.342  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  19  23
ATOM     23  C   LIG    1        5.834  -0.622  -0.659  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1        6.807   0.148  -0.096  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.623  -0.100  -1.901  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.400  -1.844  -0.864  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
BRANCH  10  27
ATOM     27  C   LIG    1       -6.089   1.274  -1.159  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -6.197   1.604  -2.325  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -7.153   1.246  -0.339  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -7.899   1.529  -0.909  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  10  27
TORSDOF 3