REMARK  Name = BDB009521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.693  -0.067   0.589  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.939  -1.438   0.599  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        3.110  -1.927   1.035  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.975  -2.332   0.144  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.256  -1.855  -0.310  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.533  -0.478  -0.302  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.448   0.412   0.162  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        8.182   0.345  -0.221  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        6.780   0.674  -0.040  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        6.436   1.566   0.978  0.00  0.00    +0.233 C 
ATOM     11  O   LIG    1        7.284   2.209   1.601  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1        4.935   1.821   1.220  0.00  0.00    +0.204 C 
ATOM     13  N   LIG    1        3.997   0.861   0.637  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1        2.687   0.896   1.103  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        2.299   1.717   1.934  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        4.407   0.310  -0.650  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        5.802  -0.291  -0.529  0.00  0.00    +0.126 C 
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  C   LIG    1       -1.881   0.034  -0.760  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.032  -0.203   0.218  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -4.433  -0.108  -0.307  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.688   0.265  -1.740  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -6.144   0.653  -2.015  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -7.108  -0.306  -1.329  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.883  -0.322   0.185  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -5.428  -0.350   0.563  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.117  -0.657   1.982  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -6.001  -0.881   2.802  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -3.790  -0.665   2.312  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -3.551  -0.863   3.279  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -2.751  -0.452   1.462  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3