REMARK  Name = BDB001991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.352   2.069  -1.414  0.00  0.00    -0.285 OA
ATOM      2  C   LIG    1        1.971   1.019  -0.906  0.00  0.00    +0.210 C 
ATOM      3  C   LIG    1        2.982   0.074  -0.420  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        2.609  -1.200  -0.035  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        3.578  -2.110   0.413  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        4.918  -1.728   0.482  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        5.295  -0.444   0.096  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.206  -1.612  -0.137  0.00  0.00    +0.214 C 
ATOM      9  O   LIG    1        0.949  -2.809  -0.077  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1        0.147  -0.578  -0.342  0.00  0.00    +0.139 C 
ATOM     11  C   LIG    1        4.331   0.456  -0.358  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.502   0.680  -0.712  0.00  0.00    +0.107 C 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -1.205  -0.992  -0.260  0.00  0.00    -0.207 N 
ATOM     14  C   LIG    1       -1.779  -1.866   0.683  0.00  0.00    +0.095 A 
ATOM     15  C   LIG    1       -3.113  -1.965   0.304  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1       -3.997  -2.775   1.034  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1       -3.515  -3.457   2.155  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -2.184  -3.328   2.546  0.00  0.00    +0.002 A 
ATOM     19  N   LIG    1       -3.346  -1.181  -0.778  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1       -1.291  -2.525   1.825  0.00  0.00    +0.030 A 
ATOM     21  N   LIG    1       -2.217  -0.570  -1.091  0.00  0.00    -0.059 NA
ENDBRANCH  10  13
BRANCH  12  22
ATOM     22  N   LIG    1       -0.394   1.759  -0.868  0.00  0.00    -0.321 N 
ATOM     23  C   LIG    1       -0.327   2.696  -2.014  0.00  0.00    +0.133 C 
ATOM     24  C   LIG    1       -1.677   3.409  -2.186  0.00  0.00    +0.178 C 
ATOM     25  O   LIG    1       -2.040   4.216  -1.052  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -1.478   3.737   0.179  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1       -1.299   2.211   0.216  0.00  0.00    +0.133 C 
ENDBRANCH  12  22
TORSDOF 2