REMARK  Name = BDB047085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.364   0.550   0.035  0.00  0.00    +0.114 A 
ATOM      2  C   LIG    1        2.015   0.303  -0.040  0.00  0.00    +0.155 A 
ATOM      3  N   LIG    1        1.879  -0.983  -0.534  0.00  0.00    -0.179 N 
ATOM      4  C   LIG    1        0.649  -1.625  -0.761  0.00  0.00    +0.278 A 
ATOM      5  C   LIG    1       -0.548  -0.790  -0.416  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -1.891  -1.432  -0.619  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -3.028  -0.662   0.055  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -2.879   0.838  -0.163  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -1.550   1.347   0.399  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1       -0.368   0.463   0.058  0.00  0.00    +0.026 A 
ATOM     11  O   LIG    1        0.588  -2.764  -1.204  0.00  0.00    -0.265 OA
ATOM     12  N   LIG    1        3.086  -1.567  -0.778  0.00  0.00    -0.169 NA
ATOM     13  N   LIG    1        0.894   1.006   0.247  0.00  0.00    -0.342 N 
ATOM     14  H   LIG    1        0.927   1.959   0.613  0.00  0.00    +0.167 HD
ATOM     15  C   LIG    1        3.973  -0.629  -0.430  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   1  17
ATOM     16  N   LIG    1        4.501   2.718   0.853  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        3.998   1.740   0.484  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
TORSDOF 1