REMARK  Name = BDB018666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.151  -0.231  -0.469  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.226  -0.479   0.559  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.139  -0.552   0.282  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -2.044  -0.813   1.315  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -1.702  -1.104   2.223  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.408  -0.787   1.172  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -3.945  -0.150  -0.112  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -5.421  -0.509  -0.341  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -6.223   0.666   0.121  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -5.298   1.641   0.744  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -3.080  -0.593  -1.299  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -3.971   1.378   0.049  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -4.125  -1.167   2.094  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.613  -0.401  -1.023  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.704  -0.167  -2.056  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.663  -0.075  -1.778  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  22
ATOM     17  C   LIG    1        7.774   0.557   1.199  0.00  0.00    +0.068 C 
ATOM     18  C   LIG    1        6.756  -0.163   0.397  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1        5.351   0.047   0.386  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        4.861  -0.876  -0.527  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        3.500  -0.999  -0.836  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1        2.592  -0.142  -0.184  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        3.080   0.795   0.743  0.00  0.00    +0.009 A 
ATOM     24  N   LIG    1        5.961  -1.552  -0.980  0.00  0.00    -0.277 N 
ATOM     25  H   LIG    1        5.988  -2.305  -1.658  0.00  0.00    +0.189 HD
ATOM     26  C   LIG    1        4.448   0.903   1.038  0.00  0.00    +0.012 A 
ATOM     27  N   LIG    1        7.122  -1.142  -0.442  0.00  0.00    -0.178 NA
ENDBRANCH   1  22
BRANCH   9  28
ATOM     28  C   LIG    1       -7.531   0.601   0.405  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -8.662   0.549   0.641  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 2