REMARK  Name = BDB047380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.227   1.402   1.775  0.00  0.00    +0.113 C 
ATOM      2  C   LIG    1       -2.775   1.736   1.730  0.00  0.00    +0.229 C 
ATOM      3  N   LIG    1       -1.930   0.924   0.937  0.00  0.00    -0.287 N 
ATOM      4  C   LIG    1       -2.212  -0.188   0.122  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.993  -0.627  -0.433  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -0.983  -1.770  -1.266  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.169  -2.438  -1.563  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.367  -1.987  -1.035  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.023   0.247   0.028  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.408  -0.871  -0.192  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -0.563   1.157   0.866  0.00  0.00    +0.103 A 
ATOM     12  O   LIG    1       -2.290   2.681   2.348  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.435   0.177  -0.301  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        2.502   0.129   0.552  0.00  0.00    +0.222 A 
ATOM     15  O   LIG    1        2.787   0.105   1.849  0.00  0.00    -0.474 OA
ATOM     16  C   LIG    1        4.246   0.073   1.940  0.00  0.00    +0.254 C 
ATOM     17  C   LIG    1        4.815   0.013   0.513  0.00  0.00    +0.188 C 
ATOM     18  N   LIG    1        3.591   0.083  -0.235  0.00  0.00    -0.229 N 
ATOM     19  N   LIG    1        3.384   0.108  -1.545  0.00  0.00    -0.173 NA
ATOM     20  C   LIG    1        2.035   0.189  -1.609  0.00  0.00    +0.071 A 
ATOM     21  C   LIG    1        1.375   0.298  -2.934  0.00  0.00    +0.068 C 
ENDBRANCH   9  13
TORSDOF 1