REMARK  Name = BDB019535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.077  -0.766   0.714  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -3.819  -0.289   0.355  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -3.164  -0.087  -0.953  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.922   0.491  -0.723  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.605   0.550   0.690  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -3.632  -0.391  -2.034  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.875   0.092   1.325  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -3.154   0.008   2.679  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -4.404  -0.468   3.050  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -4.707  -0.563   4.350  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -5.351  -0.850   2.095  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -0.909   0.632  -1.776  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -0.077   1.913  -1.661  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        1.099   1.823  -0.681  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        1.593   0.458  -0.466  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        1.448  -0.367  -1.661  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.039  -0.630  -1.908  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1        2.916   0.431   0.187  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        3.181  -0.924   0.864  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1        4.419  -0.873   1.767  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        5.464   0.150   1.319  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        5.460   0.338  -0.191  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        4.106   0.830  -0.715  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  27
ATOM     24  N   LIG    1       -6.081  -1.002  -1.532  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -6.812  -1.389  -2.113  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.216  -0.738  -2.002  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -6.179  -1.196  -0.191  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -7.193  -1.716   0.267  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3