REMARK  Name = BDB046763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.084  -0.457  -0.348  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        1.117  -1.236   0.298  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        2.242  -0.154  -1.029  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1        2.385   0.649  -1.941  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.526   0.181   0.176  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.235  -0.367   0.261  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.180   0.153  -0.499  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -0.428   1.235  -1.344  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.710   1.786  -1.433  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.759   1.262  -0.677  0.00  0.00    +0.011 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.998   0.143   0.928  0.00  0.00    +0.091 C 
ATOM     12  C   LIG    1       -3.605  -0.423   1.012  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1       -3.345  -1.368   1.754  0.00  0.00    -0.292 OA
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   3  14
ATOM     14  C   LIG    1        3.412  -0.970  -0.619  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1        3.702  -1.222   0.665  0.00  0.00    +0.096 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.888  -1.979   1.081  0.00  0.00    +0.330 C 
ATOM     17  O   LIG    1        5.186  -2.195   2.241  0.00  0.00    -0.246 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.626  -2.437   0.061  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        6.369  -2.908   0.494  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   3  14
TORSDOF 5