REMARK  Name = BDB053237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.176   0.514   0.721  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -0.924  -0.159   0.147  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.159   0.517   0.047  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.330  -0.176  -0.555  0.00  0.00    +0.256 A 
ATOM      5  N   LIG    1       -3.120  -1.467  -0.986  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1       -3.926  -1.927  -1.392  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -1.926  -2.124  -0.890  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1       -4.423   0.367  -0.665  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -2.307   1.831   0.501  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.220   2.493   1.061  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.847  -1.541  -0.357  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        0.008   1.841   1.167  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        1.551  -0.105   0.860  0.00  0.00    +0.047 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.372   0.046  -0.419  0.00  0.00    +0.125 C 
BRANCH  14  16
ATOM     15  O   LIG    1        4.143  -1.220   0.687  0.00  0.00    -0.251 OA
ATOM     16  C   LIG    1        3.728  -0.580  -0.263  0.00  0.00    +0.305 C 
BRANCH  16  17
ATOM     17  O   LIG    1        4.505  -0.373  -1.344  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        5.348  -0.824  -1.128  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4