REMARK  Name = BDB009120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.588   0.098   0.821  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1       -1.640  -0.781   0.322  0.00  0.00    -0.262 N 
ATOM      3  C   LIG    1       -0.296  -0.798   0.945  0.00  0.00    +0.099 C 
ATOM      4  C   LIG    1        0.368  -2.184   0.746  0.00  0.00    +0.104 C 
ATOM      5  N   LIG    1        0.410  -2.603  -0.667  0.00  0.00    -0.313 NA
ATOM      6  H   LIG    1        0.822  -3.535  -0.718  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -0.970  -2.670  -1.181  0.00  0.00    +0.100 C 
ATOM      8  C   LIG    1       -1.743  -1.348  -1.027  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1       -2.441   0.736   1.855  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -3.687   0.170   0.026  0.00  0.00    -0.445 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -5.452   0.619   1.687  0.00  0.00    +0.055 C 
ATOM     12  C   LIG    1       -4.800   1.037   0.365  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1       -5.815   0.823  -0.769  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -4.378   2.510   0.371  0.00  0.00    +0.055 C 
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   3  15
ATOM     15  C   LIG    1        0.563   0.360   0.398  0.00  0.00    +0.081 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.947   0.397   1.034  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.167   0.351   0.169  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        3.058   0.175  -1.320  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        4.394  -0.145  -2.000  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.519   0.712  -1.437  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        5.671   0.493   0.069  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.353   0.468   0.792  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.410   0.583   2.271  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1        5.475   0.677   2.872  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        3.205   0.566   2.918  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1        3.218   0.658   3.928  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1        1.983   0.495   2.329  0.00  0.00    -0.176 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 4