REMARK  Name = BDB027896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.188  -2.624   0.585  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1        0.209  -1.353  -0.138  0.00  0.00    -0.321 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.129  -0.734  -0.363  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -1.294  -0.132  -1.772  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -0.868  -0.653  -2.802  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.053   1.014  -1.859  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.180   1.375  -2.794  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -2.927   1.498  -0.919  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -3.769   2.341  -1.212  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.862   0.868   0.450  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.483   0.290   0.721  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1        1.292  -0.502   0.104  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        1.782   0.324  -0.921  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        2.853   1.197  -0.709  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        3.453   1.250   0.539  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        4.479   2.085   0.748  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        3.006   0.441   1.573  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        1.935  -0.431   1.353  0.00  0.00    +0.026 A 
ENDBRANCH   2  12
TORSDOF 2