REMARK  Name = BDB062451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.613  -0.673  -0.685  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.487  -0.397   0.148  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.690   0.130  -0.364  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -1.775   0.418  -1.728  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.693   0.152  -2.569  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.484  -0.392  -2.054  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.281  -1.218   0.134  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        3.114  -0.676  -0.408  0.00  0.00    +0.143 A 
ATOM      9  F   LIG    1        3.194   0.412  -1.193  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1        1.857  -1.243  -0.136  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        1.820  -2.387   0.685  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        2.991  -2.948   1.207  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        4.225  -2.368   0.926  0.00  0.00    +0.016 A 
BRANCH   7  16
ATOM     14  C   LIG    1        7.109   1.287  -0.276  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1        5.874   0.678   0.187  0.00  0.00    -0.304 N 
ATOM     16  C   LIG    1        5.599  -0.637  -0.177  0.00  0.00    +0.249 C 
ATOM     17  O   LIG    1        6.410  -1.375  -0.734  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        5.000   1.528   0.984  0.00  0.00    +0.132 C 
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  N   LIG    1       -2.766   0.393   0.535  0.00  0.00    -0.236 N 
ATOM     20  C   LIG    1       -4.104   0.671   0.282  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -4.669   1.084   1.478  0.00  0.00    +0.100 A 
ATOM     22  C   LIG    1       -3.646   0.870   2.419  0.00  0.00    +0.150 A 
ATOM     23  N   LIG    1       -2.524   0.403   1.877  0.00  0.00    -0.174 NA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.891   0.535  -1.059  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -6.103  -0.366  -1.098  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -4.856  -0.770  -1.816  0.00  0.00    +0.010 C 
ENDBRANCH  20  24
BRANCH  21  27
ATOM     27  C   LIG    1       -5.999   1.588   1.724  0.00  0.00    +0.340 C 
ATOM     28  O   LIG    1       -6.846   1.854   0.884  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.277   1.783   3.033  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -7.194   2.125   3.014  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH   3  19
TORSDOF 6