REMARK  Name = BDB002732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.108  -2.243   0.362  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -0.444  -1.185   0.086  0.00  0.00    +0.280 C 
ATOM      3  N   LIG    1        0.212  -0.092  -0.429  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.312   0.759  -0.594  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.911  -0.958   0.288  0.00  0.00    +0.193 A 
ATOM      6  O   LIG    1       -2.425   0.286  -0.049  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -3.768   0.500   0.134  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1       -4.627  -0.472   0.641  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -5.988  -0.200   0.807  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -6.486   1.057   0.460  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.627   2.033  -0.049  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.074  -1.787   0.998  0.00  0.00    +0.193 A 
ATOM     13  O   LIG    1       -4.768  -2.688   1.449  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1       -4.267   1.756  -0.212  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -2.632  -1.973   0.784  0.00  0.00    +0.103 A 
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1        1.643  -0.097  -0.669  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.445   0.127   0.615  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.928   0.167   0.344  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1        4.583   1.388   0.137  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.953   1.417  -0.132  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.677   0.228  -0.201  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.032  -0.992  -0.001  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.664  -1.023   0.269  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4