REMARK  Name = BDB043681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.754  -2.744   0.835  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        2.182  -1.706   0.532  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1        2.907  -0.471   0.212  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        2.171   0.660  -0.121  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        2.830   1.850  -0.431  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        4.226   1.899  -0.406  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        4.962   0.761  -0.071  0.00  0.00    +0.001 A 
ATOM      8  O   LIG    1        0.801   0.672  -0.163  0.00  0.00    -0.455 OA
ATOM      9  C   LIG    1        0.101  -0.493   0.139  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        4.304  -0.429   0.240  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.711  -1.641   0.473  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.382  -0.342   0.056  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -1.943   0.901  -0.303  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -3.329   1.087  -0.394  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1       -4.186   0.019  -0.123  0.00  0.00    +0.126 A 
ATOM     16  C   LIG    1       -3.663  -1.226   0.236  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -2.274  -1.398   0.322  0.00  0.00    +0.014 A 
BRANCH  15  18
ATOM     18  N   LIG    1       -5.639   0.204  -0.215  0.00  0.00    +0.056 N 
ATOM     19  O   LIG    1       -6.361  -0.772   0.034  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1       -6.058   1.325  -0.536  0.00  0.00    -0.126 OA
ENDBRANCH  15  18
ENDBRANCH   9  12
TORSDOF 2