REMARK  Name = BDB043569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.518  -0.530  -0.654  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1       -2.265  -0.566   0.210  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -0.946  -0.190  -0.274  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1        0.083  -0.192   0.579  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        1.487   0.133   0.362  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1        2.150  -0.032   1.572  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        3.502   0.220   1.624  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        4.137   0.634   0.441  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.360   0.773  -0.747  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1        4.006   1.183  -1.904  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        5.378   1.456  -1.925  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.131   1.319  -0.764  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.514   0.909   0.417  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.194  -0.478   2.634  0.00  0.00    +0.162 C 
ATOM     15  N   LIG    1        2.037   0.526  -0.794  0.00  0.00    -0.245 NA
ATOM     16  N   LIG    1       -0.077  -0.547   1.904  0.00  0.00    -0.302 N 
ATOM     17  C   LIG    1       -1.271  -0.935   2.456  0.00  0.00    +0.259 A 
ATOM     18  O   LIG    1       -1.414  -1.242   3.634  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1       -2.420  -0.944   1.499  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1       -3.744  -1.404   2.007  0.00  0.00    +0.273 C 
ATOM     21  O   LIG    1       -4.494  -2.109   0.994  0.00  0.00    -0.457 OA
ATOM     22  C   LIG    1       -4.308  -1.835  -0.328  0.00  0.00    +0.344 C 
ATOM     23  O   LIG    1       -4.759  -2.595  -1.181  0.00  0.00    -0.247 OA
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1       -3.064   1.003  -2.705  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -3.328  -0.410  -2.186  0.00  0.00    +0.048 C 
ENDBRANCH   1  25
BRANCH   1  26
ATOM     26  O   LIG    1       -4.309   0.588  -0.213  0.00  0.00    -0.373 OA
ATOM     27  H   LIG    1       -3.705   1.335  -0.059  0.00  0.00    +0.211 HD
ENDBRANCH   1  26
TORSDOF 2