REMARK  Name = BDB006812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.060   1.997  -0.671  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.647   1.654  -1.419  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.264   1.537   0.614  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        0.476   1.726   1.534  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.497   0.734   0.842  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.483  -0.232   1.854  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        3.618  -1.008   2.105  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        4.786  -0.827   1.348  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        4.801   0.162   0.350  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.665   0.938   0.097  0.00  0.00    +0.013 A 
BRANCH   8  11
ATOM     11  C   LIG    1        6.022  -1.647   1.633  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1        5.742  -2.880   2.141  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        6.781  -1.866   0.523  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        6.844  -1.046   2.536  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   1  15
ATOM     15  C   LIG    1       -0.138   2.725  -1.040  0.00  0.00    +0.106 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.210   1.831  -1.663  0.00  0.00    +0.034 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.826   0.848  -0.661  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.893   0.092  -1.325  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -3.590   0.747  -1.680  0.00  0.00    +0.122 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -4.596  -1.611  -1.416  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -3.567  -0.926  -0.496  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -2.587  -1.997   0.013  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -4.317  -0.296   0.689  0.00  0.00    +0.027 C 
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7