REMARK  Name = BDB029428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.251   1.012  -0.453  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.129   0.554  -0.316  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1       -2.946   1.276  -0.437  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -2.925   2.261  -0.656  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -1.850   0.459  -0.222  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -2.264  -0.836   0.048  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.437  -1.861   0.297  0.00  0.00    -0.257 NA
ATOM      8  C   LIG    1       -0.116  -1.536   0.266  0.00  0.00    +0.119 A 
ATOM      9  C   LIG    1        0.408  -0.253  -0.001  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.512   0.779  -0.253  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -3.767  -0.897   0.015  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.857  -0.006  -0.017  0.00  0.00    -0.014 A 
ATOM     13  C   LIG    1        2.427   1.013   0.755  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.799   1.208   0.708  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.635   0.469  -0.050  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.075  -0.509  -0.791  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.716  -0.781  -0.807  0.00  0.00    +0.028 A 
ENDBRANCH   9  12
TORSDOF 1