REMARK  Name = BDB016967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.468  -1.321  -0.740  0.00  0.00    -0.330 N 
ATOM      2  C   LIG    1       -0.648  -0.273  -0.371  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.641  -0.771  -0.544  0.00  0.00    +0.115 A 
ATOM      4  N   LIG    1        0.597  -2.075  -1.008  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.675  -2.366  -1.122  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.132   1.023   0.089  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.502   2.006  -0.834  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -1.953   3.243  -0.382  0.00  0.00    +0.142 A 
ATOM      9  F   LIG    1       -2.308   4.167  -1.288  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.038   3.515   0.982  0.00  0.00    +0.076 A 
ATOM     11 CL   LIG    1       -2.599   5.044   1.540  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -1.666   2.542   1.909  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -1.212   1.298   1.461  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   3  14
ATOM     14  C   LIG    1        1.905  -0.075  -0.303  0.00  0.00    +0.092 A 
ATOM     15  N   LIG    1        1.853   1.222   0.094  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        3.018   1.866   0.309  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        4.258   1.281   0.149  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        4.299  -0.051  -0.259  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        3.109  -0.742  -0.490  0.00  0.00    +0.045 A 
BRANCH  18  20
ATOM     20  C   LIG    1        5.578  -0.768  -0.458  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        5.704  -1.927  -0.806  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        6.650   0.006  -0.210  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        7.410  -0.590  -0.381  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   3  14
BRANCH   1  24
ATOM     24  C   LIG    1       -2.918  -1.342  -0.773  0.00  0.00    +0.123 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -3.306  -3.032   1.093  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.573  -1.625   0.579  0.00  0.00    +0.018 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6