REMARK  Name = BDB003597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.704  -0.482   0.166  0.00  0.00    +0.317 C 
ATOM      2  O   LIG    1       -2.500  -0.000   1.492  0.00  0.00    -0.378 OA
ATOM      3  N   LIG    1       -1.132   0.314   1.659  0.00  0.00    -0.088 NA
ATOM      4  C   LIG    1       -0.495  -0.151   0.634  0.00  0.00    +0.091 C 
ATOM      5  C   LIG    1       -1.341  -0.868  -0.357  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.971  -0.009   0.462  0.00  0.00    -0.000 A 
ATOM      7  C   LIG    1        1.688   0.775   1.378  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.069   0.928   1.242  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        3.728   0.298   0.194  0.00  0.00    +0.123 A 
ATOM     10  F   LIG    1        5.053   0.444   0.062  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.032  -0.484  -0.721  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        1.649  -0.641  -0.590  0.00  0.00    +0.012 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     13  O   LIG    1       -3.834   1.641  -0.397  0.00  0.00    -0.247 OA
ATOM     14  C   LIG    1       -3.400   0.547  -0.714  0.00  0.00    +0.349 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -3.563   0.113  -1.986  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -4.048   0.851  -2.415  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 3