REMARK  Name = BDB052558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.926   1.916  -1.221  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.845   1.328  -1.186  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -5.343   0.785   0.102  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -3.996   0.423   0.332  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -3.634  -0.023   1.605  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.542  -0.137   2.664  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -5.867   0.222   2.423  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -2.288  -0.292   1.577  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1       -1.750  -0.608   2.372  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -1.760  -0.041   0.334  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.808   0.391  -0.468  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -2.748   0.737  -1.919  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -4.023   0.333  -2.652  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -6.261   0.680   1.168  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.147   1.200  -2.360  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -5.667   1.574  -3.145  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1       -0.339  -0.227   0.052  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        0.287  -1.447   0.327  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        1.649  -1.618   0.066  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        2.412  -0.570  -0.469  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        1.781   0.650  -0.747  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        0.418   0.819  -0.487  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.886  -0.762  -0.765  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.655  -1.219   0.408  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1        4.815  -0.163   1.420  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1        6.019   0.660   0.984  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1        6.816  -0.256   0.067  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        6.036  -1.562   0.037  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  10  17
TORSDOF 3