REMARK  Name = BDB029394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.254   2.769   0.972  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.667   1.761   0.616  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -3.266   0.579   0.203  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -4.267   0.457   0.170  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.319  -0.374  -0.133  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.549  -1.660  -0.569  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -1.432  -2.450  -0.838  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.131  -1.937  -0.664  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.094  -0.619  -0.221  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1       -1.036   0.149   0.040  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -1.151   1.563   0.538  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.454  -0.105  -0.043  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        2.288  -0.615   0.957  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.567  -0.098   1.088  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.068   0.876   0.300  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        3.252   1.355  -0.662  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        1.958   0.904  -0.870  0.00  0.00    +0.028 A 
ENDBRANCH   9  12
TORSDOF 1