REMARK  Name = BDB001804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.711  -2.610   1.264  0.00  0.00    -0.244 OA
ATOM      2  C   LIG    1       -1.373  -1.548   0.755  0.00  0.00    +0.348 A 
ATOM      3  C   LIG    1       -2.372  -0.625   0.202  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -1.921   0.581  -0.314  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -2.849   1.482  -0.840  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -4.212   1.173  -0.846  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.656  -0.043  -0.325  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.567   0.909  -0.320  0.00  0.00    -0.212 NA
ATOM      9  C   LIG    1        0.244   0.020   0.144  0.00  0.00    +0.234 A 
ATOM     10  C   LIG    1       -3.735  -0.947   0.202  0.00  0.00    +0.017 A 
ATOM     11  O   LIG    1       -0.073  -1.172   0.692  0.00  0.00    -0.403 OA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.700   0.228   0.217  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        2.643  -0.711  -0.213  0.00  0.00    +0.138 A 
ATOM     14  C   LIG    1        4.019  -0.474  -0.062  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        4.450   0.723   0.509  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.517   1.678   0.919  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.148   1.435   0.773  0.00  0.00    +0.015 A 
BRANCH  13  18
ATOM     18  N   LIG    1        2.236  -1.932  -0.887  0.00  0.00    +0.057 N 
ATOM     19  O   LIG    1        2.808  -2.978  -0.555  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        1.373  -1.834  -1.770  0.00  0.00    -0.126 OA
ENDBRANCH  13  18
ENDBRANCH   9  12
TORSDOF 2