REMARK  Name = BDB018980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.557  -1.429   0.378  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.715  -0.864   0.118  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.880  -1.655   0.126  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.133  -1.080  -0.149  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.263   0.288  -0.426  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.119   1.097  -0.431  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.814  -3.141   0.371  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.501  -3.548   1.017  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.865   0.504  -0.173  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.655  -2.893   0.276  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -5.601   2.696   0.945  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -5.539   1.203   1.215  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -4.148   0.636   1.138  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.101  -0.360   0.165  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -2.937  -1.058  -0.112  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -1.774  -0.748   0.613  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -1.840   0.262   1.603  0.00  0.00    +0.024 A 
ATOM     18  N   LIG    1       -5.360  -0.489  -0.430  0.00  0.00    -0.274 N 
ATOM     19  C   LIG    1       -5.660  -1.404  -1.498  0.00  0.00    +0.138 C 
ATOM     20  C   LIG    1       -3.023   0.959   1.873  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -6.276   0.413   0.118  0.00  0.00    +0.227 C 
ATOM     22  O   LIG    1       -7.446   0.557  -0.202  0.00  0.00    -0.275 OA
ENDBRANCH   1  16
BRANCH   5  23
ATOM     23  C   LIG    1        4.583   0.815  -0.706  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.640   0.770   0.178  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.689   1.368  -0.458  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.022   1.565   0.058  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.388   1.803  -1.695  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.107   1.457  -1.849  0.00  0.00    +0.142 A 
ENDBRANCH   5  23
BRANCH   6  29
ATOM     29  C   LIG    1        2.182   2.575  -0.724  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        2.343   2.833  -2.052  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        1.049   3.245  -0.360  0.00  0.00    -0.204 F 
ENDBRANCH   6  29
TORSDOF 3