REMARK  Name = BDB003820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.866  -0.929   1.541  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.868  -0.893   0.824  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.743  -1.581   1.185  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.038  -2.049   2.039  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -1.662  -0.841   1.572  0.00  0.00    +0.224 C 
ATOM      6  O   LIG    1       -1.413  -0.726   2.772  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.721  -0.324   0.489  0.00  0.00    +0.092 C 
ATOM      8  C   LIG    1       -1.386  -0.075  -0.872  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -2.691   0.709  -0.791  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -3.880  -0.198  -0.517  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        0.023   0.910   1.044  0.00  0.00    +0.114 C 
BRANCH  11  12
ATOM     12  N   LIG    1        1.071   1.398   0.147  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        0.731   1.909  -0.663  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.258   0.706  -0.072  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        2.760  -0.269   0.800  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        3.988  -0.895   0.556  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.736  -0.530  -0.553  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        5.912  -1.127  -0.786  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        4.284   0.457  -1.416  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        3.057   1.077  -1.167  0.00  0.00    +0.026 A 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
TORSDOF 3