REMARK  Name = BDB018976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.407  -1.697   0.639  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -0.064  -1.241   0.574  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        0.988  -2.071   0.155  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.299  -1.569   0.079  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.607  -0.255   0.464  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        1.586   0.565   0.967  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        0.738  -3.496  -0.259  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.560  -4.006   0.342  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.268   0.058   1.005  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.673  -3.019   0.031  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -3.192   2.443  -2.431  0.00  0.00    +0.139 C 
ATOM     12  N   LIG    1       -4.081   1.964  -1.406  0.00  0.00    -0.267 N 
ATOM     13  C   LIG    1       -3.783   0.913  -0.525  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -4.838   0.685   0.355  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -4.807  -0.294   1.326  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -3.651  -1.075   1.402  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.559  -0.866   0.522  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -5.892   1.647   0.033  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1       -6.965   1.760   0.579  0.00  0.00    -0.282 OA
ATOM     20  C   LIG    1       -2.636   0.144  -0.458  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -5.341   2.484  -1.152  0.00  0.00    +0.291 C 
ATOM     22  O   LIG    1       -5.929   3.389  -1.703  0.00  0.00    -0.266 OA
ENDBRANCH   1  17
BRANCH   5  23
ATOM     23  C   LIG    1        3.982   0.182   0.329  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.397   1.266  -0.413  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        5.756   1.307  -0.297  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        6.646   2.287  -0.869  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.264   0.292   0.428  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.181  -0.387   0.814  0.00  0.00    +0.142 A 
ENDBRANCH   5  23
BRANCH   6  29
ATOM     29  C   LIG    1        1.823   1.972   1.456  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        2.954   2.126   2.198  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        1.903   2.875   0.438  0.00  0.00    -0.204 F 
ENDBRANCH   6  29
TORSDOF 3