REMARK  Name = BDB028212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.813  -0.451   0.628  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.039  -0.350  -0.057  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.173   0.185   0.571  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.088   0.622   1.889  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.282   1.184   2.540  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.419   1.235   1.773  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.253   1.620   2.206  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.537   0.819   0.483  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.250   1.582   3.699  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.881   0.529   2.588  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.489   0.319  -0.106  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.754  -0.003   1.959  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.730  -0.848  -0.678  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.590  -0.299  -0.073  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.379  -1.007  -0.028  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.373  -2.264  -0.630  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.438  -2.829  -1.246  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        2.585  -2.113  -1.247  0.00  0.00    +0.119 A 
BRANCH  13  20
ATOM     19  C   LIG    1        4.728   0.234   0.445  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        4.014  -0.127  -0.719  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.567   0.219  -1.968  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        5.784   0.899  -2.059  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.476   1.248  -0.904  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.950   0.917   0.344  0.00  0.00    +0.019 A 
BRANCH  19  26
ATOM     25  N   LIG    1        3.839  -0.324   2.822  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        4.240  -0.087   1.758  0.00  0.00    +0.100 C 
ENDBRANCH  19  26
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  27
ATOM     27  C   LIG    1       -4.611  -0.152  -1.559  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.975   0.045  -2.065  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -6.613  -0.437  -1.426  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -6.216   1.030  -1.926  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5