REMARK  Name = BDB056498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.631  -0.371   3.231  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -2.321   0.328   2.274  0.00  0.00    +0.267 C 
ATOM      3  N   LIG    1       -1.024   0.568   1.849  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1       -0.681   1.390   0.683  0.00  0.00    +0.127 C 
ATOM      5  C   LIG    1        0.826   1.675   0.558  0.00  0.00    +0.123 C 
ATOM      6  N   LIG    1        1.618   0.429   0.610  0.00  0.00    -0.333 N 
ATOM      7  C   LIG    1        1.167  -0.585   1.591  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        0.096  -0.049   2.557  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -3.440   0.936   1.450  0.00  0.00    +0.153 A 
ATOM     10  C   LIG    1       -4.202   0.070   0.534  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.210   0.672  -0.216  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -5.970  -0.082  -1.117  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -5.716  -1.446  -1.262  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.709  -2.053  -0.511  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.464   2.114  -0.049  0.00  0.00    +0.272 A 
ATOM     16  O   LIG    1       -6.340   2.687  -0.687  0.00  0.00    -0.266 OA
ATOM     17  N   LIG    1       -4.661   2.770   0.855  0.00  0.00    -0.242 N 
ATOM     18  H   LIG    1       -4.835   3.761   0.997  0.00  0.00    +0.192 HD
ATOM     19  C   LIG    1       -3.949  -1.299   0.389  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -3.664   2.211   1.598  0.00  0.00    -0.166 NA
ENDBRANCH   2   9
BRANCH   6  21
ATOM     21  C   LIG    1        2.745   0.257  -0.182  0.00  0.00    +0.071 C 
ATOM     22  C   LIG    1        3.538  -0.819  -0.291  0.00  0.00    +0.023 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.710  -0.886  -1.175  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1        5.607   0.182  -1.306  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.728   0.071  -2.133  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.968  -1.112  -2.828  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.092  -2.187  -2.693  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.972  -2.076  -1.866  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH   6  21
TORSDOF 3