REMARK  Name = BDB058156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.860  -2.241  -0.298  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -5.208  -0.779  -0.312  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1       -4.197   0.199  -0.251  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -4.564   1.551  -0.269  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -3.486   2.549  -0.201  0.00  0.00    +0.260 A 
ATOM      6  N   LIG    1       -2.212   2.048  -0.160  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -1.487   2.743  -0.062  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -1.925   0.702  -0.141  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -3.712   3.753  -0.173  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -5.899   1.951  -0.343  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -6.880   0.975  -0.403  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -8.167   1.337  -0.475  0.00  0.00    -0.205 F 
ATOM     13  N   LIG    1       -2.851  -0.204  -0.174  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1       -6.552  -0.378  -0.388  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -0.490   0.320  -0.061  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        0.521   1.126  -0.593  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.859   0.731  -0.494  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.210  -0.477   0.128  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1        1.187  -1.286   0.643  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -0.151  -0.894   0.546  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.658  -0.926   0.246  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        4.521   0.038   1.084  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1        5.481   0.856   0.224  0.00  0.00    +0.081 C 
ATOM     24  N   LIG    1        6.369   0.043  -0.603  0.00  0.00    -0.316 NA
ATOM     25  H   LIG    1        7.252  -0.122  -0.120  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        5.804  -1.239  -1.026  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1        4.283  -1.210  -1.131  0.00  0.00    +0.023 C 
ENDBRANCH  18  21
ENDBRANCH   8  15
TORSDOF 2