REMARK  Name = BDB018348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.392   4.082   0.311  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.641   2.840   0.406  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.221   1.742   1.025  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.346   1.718   1.516  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.386   0.517   1.077  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.140   0.492   0.570  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.582   1.701  -0.067  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.361   2.801  -0.117  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.432  -0.805   0.675  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.145  -1.552  -0.478  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -0.448  -2.759  -0.381  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -0.048  -3.222   0.867  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1        0.619  -4.380   0.961  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -0.328  -2.500   2.022  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -1.019  -1.290   1.927  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.266   1.722  -0.635  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        0.897   1.277  -0.048  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        1.877   1.413  -0.993  0.00  0.00    -0.267 N 
ATOM     19  N   LIG    1        1.447   2.022  -2.121  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        0.139   2.188  -1.906  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.260   0.974  -0.875  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.367  -0.526  -1.010  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        3.574  -1.335   0.118  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.643  -2.723  -0.012  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.506  -3.316  -1.266  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.300  -2.523  -2.393  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.229  -1.136  -2.266  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4