REMARK  Name = BDB027934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.010   0.551  -0.181  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1        0.014   1.581  -0.136  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1        5.146  -0.698  -1.510  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1        4.023  -0.505  -1.054  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1        3.637   0.737  -0.620  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1        4.303   1.482  -0.776  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1        2.376   1.130  -0.244  0.00  0.00    +0.239 C 
ATOM      8  O   LIG    1        2.108   2.322  -0.089  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        1.347   0.008  -0.007  0.00  0.00    +0.158 C 
ATOM     10  C   LIG    1        1.594  -1.098  -1.031  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1        3.016  -1.618  -0.890  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1       -1.063   0.093   0.629  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -2.230   0.880   0.728  0.00  0.00    +0.148 A 
ATOM     14  C   LIG    1       -3.329   0.488   1.493  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -3.312  -0.749   2.128  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.201  -1.578   1.991  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -1.093  -1.165   1.238  0.00  0.00    +0.026 A 
BRANCH  13  18
ATOM     18  O   LIG    1       -2.281   2.100   0.098  0.00  0.00    -0.432 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.710   1.909  -1.245  0.00  0.00    +0.541 C 
ATOM     20  F   LIG    1       -2.421   3.049  -1.925  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -4.063   1.792  -1.252  0.00  0.00    -0.166 F 
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  12
TORSDOF 4