REMARK  Name = BDB018668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.169  -0.507  -0.268  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.235  -0.249   0.749  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.129  -0.434   0.522  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -2.043  -0.180   1.548  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -1.711  -0.015   2.490  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.406  -0.216   1.393  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -3.928  -0.245  -0.045  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -5.406  -0.662  -0.098  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -6.199   0.599  -0.240  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -5.269   1.746  -0.132  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -3.058  -1.192  -0.882  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -3.941   1.184  -0.612  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -4.134  -0.121   2.378  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.592  -0.900  -0.711  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.673  -1.174  -1.725  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.692  -0.969  -1.507  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  22
ATOM     17  C   LIG    1        7.712   0.043   1.244  0.00  0.00    +0.173 C 
ATOM     18  N   LIG    1        6.658   0.465   0.353  0.00  0.00    -0.267 N 
ATOM     19  C   LIG    1        5.341   0.076   0.403  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        4.727   0.739  -0.654  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.351   0.551  -0.882  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.610  -0.303  -0.042  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        3.270  -0.954   1.014  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        5.762   1.487  -1.256  0.00  0.00    +0.143 A 
ATOM     25  C   LIG    1        4.640  -0.781   1.258  0.00  0.00    +0.028 A 
ATOM     26  N   LIG    1        6.939   1.322  -0.649  0.00  0.00    -0.179 NA
ENDBRANCH   1  22
BRANCH   9  27
ATOM     27  C   LIG    1       -7.510   0.679   0.029  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1       -8.643   0.748   0.253  0.00  0.00    -0.174 NA
ENDBRANCH   9  27
TORSDOF 2