REMARK  Name = BDB056889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.362   4.913   3.062  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.283   3.998   2.543  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.667   2.982   1.679  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.426   2.167   1.112  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.110   0.894   0.559  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.554  -0.242   0.028  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.332  -1.161  -0.390  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.542  -0.633  -0.114  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.453   0.612   0.428  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.546   1.525   0.836  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.971   2.951   0.977  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.885   4.160   2.898  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.992  -0.465  -0.097  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.617  -0.641  -1.361  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.015  -0.835  -1.410  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.645  -1.004  -2.649  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        3.881  -0.970  -3.803  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        2.549  -0.784  -3.812  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        4.760  -0.854  -0.218  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.146  -0.673   1.026  0.00  0.00    -0.049 A 
ATOM     21  C   LIG    1        4.953  -0.736   2.289  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        1.954  -0.631  -2.602  0.00  0.00    +0.119 A 
ATOM     23  C   LIG    1        2.762  -0.493   1.079  0.00  0.00    +0.014 A 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1       -2.745  -1.389  -0.434  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1       -2.710  -2.814   0.120  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -4.020  -3.534  -0.184  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1       -4.707  -2.988  -1.313  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -3.818  -2.619  -2.362  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1       -3.018  -1.393  -1.945  0.00  0.00    +0.055 C 
ENDBRANCH   8  24
TORSDOF 2