REMARK  Name = BDB028088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.824  -0.452   0.067  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.725  -1.091   0.621  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.658  -1.687   1.679  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.613  -0.915  -0.318  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.055  -0.112  -1.367  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.193   0.228  -2.394  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.119  -0.260  -2.342  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.561  -1.082  -1.278  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1       -0.324  -1.408  -0.240  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.479   0.275  -1.149  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.477   1.834   1.836  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.471   1.169   1.610  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.234   1.592   2.026  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.224   2.513   2.443  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.028   1.186   1.499  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.044   1.919   1.569  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.037  -0.202   0.836  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.302  -0.342  -0.005  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.522  -0.155   0.883  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.990  -1.558  -1.238  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.843  -0.545  -0.660  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.485  -0.097   0.169  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        4.211  -0.740  -0.670  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.848   0.289  -0.012  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        4.274   1.096   0.180  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.730  -1.702  -1.217  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.225   0.417   0.257  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        7.162  -0.588   0.012  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        8.513  -0.386   0.316  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        8.936   0.820   0.870  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.008   1.826   1.123  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.659   1.625   0.820  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4