REMARK  Name = BDB056876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.779   5.486   0.724  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.458   4.147   0.856  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.756   3.029   0.425  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.490   1.749   0.474  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.546   0.602   0.368  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.777  -0.792   0.466  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.359  -1.478   0.273  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.310  -0.543   0.067  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.802   0.723   0.099  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.492   2.022  -0.092  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.439   3.094  -0.444  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.588   4.074   1.340  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.041  -1.476   0.726  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.640  -2.335  -0.235  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.879  -2.943   0.070  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -4.487  -3.781  -0.873  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -3.861  -3.992  -2.089  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -2.684  -3.436  -2.430  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -4.489  -2.699   1.311  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -3.889  -1.862   2.250  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.104  -2.635  -1.501  0.00  0.00    +0.119 A 
ATOM     22  C   LIG    1       -2.672  -1.253   1.960  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.675  -0.995  -0.172  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.105  -0.804  -1.634  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        4.607  -0.578  -1.746  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        5.290  -1.391  -0.801  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        5.073  -0.994   0.553  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        3.691  -0.396   0.800  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2