REMARK  Name = BDB054138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.730   2.103  -0.410  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.329   0.984  -0.117  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -0.896   0.635  -0.123  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -0.551  -0.673   0.228  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        0.799  -1.032   0.231  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.797  -0.104  -0.117  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        1.422   1.207  -0.458  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1       -1.509  -1.639   0.580  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -2.747  -1.281   0.569  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1        0.076   1.578  -0.465  0.00  0.00    +0.016 A 
ATOM     11  N   LIG    1       -3.181  -0.029   0.239  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -4.165   0.196   0.248  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        3.251  -0.507  -0.084  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        3.793  -0.381   1.158  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        4.032   0.241  -0.911  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        3.454  -1.802  -0.453  0.00  0.00    -0.166 F 
ENDBRANCH   6  13
TORSDOF 1