REMARK  Name = BDB018967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.497  -1.427  -0.878  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        1.703  -0.737  -0.581  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        2.937  -1.115  -1.145  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        4.115  -0.407  -0.828  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        4.088   0.707   0.017  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        2.858   1.113   0.538  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.039  -2.300  -2.068  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.688  -2.637  -2.672  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.688   0.406   0.237  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.655  -2.727  -1.560  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -5.471   1.300  -0.016  0.00  0.00    +0.216 C 
ATOM     12  N   LIG    1       -5.253  -0.043   0.266  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -4.395  -0.933  -0.505  0.00  0.00    +0.146 C 
ATOM     14  C   LIG    1       -3.091  -1.234   0.191  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -2.976  -1.534   1.556  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1       -1.711  -1.755   2.115  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -0.559  -1.719   1.329  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -0.649  -1.454  -0.038  0.00  0.00    +0.034 A 
ATOM     19  O   LIG    1       -3.987  -1.607   2.477  0.00  0.00    -0.490 OA
ATOM     20  C   LIG    1       -5.299  -1.875   1.986  0.00  0.00    +0.248 C 
ATOM     21  C   LIG    1       -1.917  -1.222  -0.592  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -5.952  -0.618   1.415  0.00  0.00    +0.149 C 
ATOM     23  O   LIG    1       -6.301   1.964   0.607  0.00  0.00    -0.276 OA
BRANCH  11  25
ATOM     24  C   LIG    1       -4.838   3.424  -1.232  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -4.649   1.918  -1.137  0.00  0.00    +0.092 C 
ENDBRANCH  11  25
ENDBRANCH   1  18
BRANCH   5  26
ATOM     26  C   LIG    1        5.314   1.427   0.322  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.554   2.143   1.477  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.819   2.643   1.365  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.519   3.458   2.327  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.431   2.302   0.218  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.514   1.564  -0.415  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
TORSDOF 3