REMARK  Name = BDB052274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.376  -0.261   0.828  0.00  0.00    +0.148 A 
ATOM      2  C   LIG    1       -2.489  -0.430  -0.025  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -2.168  -0.657  -1.383  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -0.829  -0.648  -1.811  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.246  -0.430  -0.962  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.401  -0.491  -1.803  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        1.061  -0.769  -3.070  0.00  0.00    -0.173 NA
ATOM      8  N   LIG    1       -0.277  -0.837  -3.048  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -0.760  -1.026  -3.918  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.026  -0.249   0.402  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1       -3.818  -0.406   0.363  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -4.920  -0.849  -0.498  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -6.157  -0.686   0.377  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -5.826   0.561   1.175  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -4.341   0.383   1.488  0.00  0.00    +0.105 C 
ENDBRANCH   2  11
BRANCH   1  17
ATOM     16  O   LIG    1       -1.420   0.961   2.767  0.00  0.00    -0.126 OA
ATOM     17  N   LIG    1       -1.540  -0.166   2.262  0.00  0.00    +0.058 N 
ATOM     18  O   LIG    1       -1.732  -1.218   2.886  0.00  0.00    -0.126 OA
ENDBRANCH   1  17
BRANCH   6  19
ATOM     19  C   LIG    1        2.773  -0.326  -1.426  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        3.245   0.463  -0.446  0.00  0.00    +0.010 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.672   0.598  -0.119  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        5.051   0.712   1.225  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.394   0.869   1.574  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.371   0.925   0.583  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.005   0.830  -0.758  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.662   0.672  -1.108  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH   6  19
TORSDOF 4