REMARK  Name = BDB018361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134  -4.511   0.924  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.644  -3.173   0.671  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -1.988  -2.905   0.895  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -2.812  -3.716   1.306  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -2.423  -1.517   0.605  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -1.562  -0.593   0.139  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -0.151  -0.948  -0.085  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.229  -2.212   0.193  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.800  -0.000  -0.586  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        2.042   0.274  -0.077  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        2.984  -0.067   1.004  0.00  0.00    +0.057 C 
ATOM     12  C   LIG    1        4.001   1.106   0.928  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        3.891   1.683  -0.496  0.00  0.00    +0.144 C 
ATOM     14  N   LIG    1        2.571   1.228  -0.879  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        1.811   1.620  -1.893  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        0.708   0.870  -1.715  0.00  0.00    +0.143 A 
ENDBRANCH   7   9
BRANCH   6  17
ATOM     17  C   LIG    1       -2.132   0.756  -0.070  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1       -1.795   1.805   0.795  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -2.326   3.081   0.595  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.198   3.316  -0.467  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.540   2.278  -1.332  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.010   1.001  -1.136  0.00  0.00    +0.008 A 
ENDBRANCH   6  17
TORSDOF 2