REMARK  Name = BDB018734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.707   1.945  -0.808  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -5.789   0.475  -1.054  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -4.658  -0.124  -0.212  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.964  -1.561   0.188  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -6.094  -2.043   0.171  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.913  -2.287   0.687  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -4.146  -3.189   1.082  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.574  -1.903   0.576  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.235  -0.790  -0.197  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -0.887  -0.428  -0.328  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        0.127  -1.157   0.317  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -0.246  -2.274   1.083  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.586  -2.652   1.208  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.314  -0.061  -0.954  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.695   0.785   1.026  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -4.983   2.174   0.469  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.541  -0.769   0.182  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        2.507  -1.687  -0.254  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.851  -1.316  -0.384  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        4.276  -0.015  -0.080  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        3.310   0.903   0.357  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.965   0.533   0.485  0.00  0.00    +0.009 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.689   0.374  -0.215  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        6.386   0.957   0.857  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.728   1.327   0.729  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.396   1.121  -0.475  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.724   0.545  -1.550  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.383   0.175  -1.421  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  30
ATOM     29  N   LIG    1       -7.187   3.633  -1.899  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -6.502   2.849  -1.395  0.00  0.00    +0.169 C 
ENDBRANCH   1  30
TORSDOF 3