REMARK  Name = BDB053236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.333   0.383   0.534  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.829  -0.182  -0.031  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -2.013   0.583  -0.051  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.249   0.005  -0.644  0.00  0.00    +0.256 A 
ATOM      5  N   LIG    1       -3.144  -1.272  -1.148  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1       -3.994  -1.653  -1.549  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -1.996  -2.013  -1.137  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1       -4.304   0.628  -0.683  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -2.050   1.879   0.477  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.901   2.428   1.036  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.862  -1.535  -0.615  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        0.280   1.684   1.067  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.736   0.090   0.063  0.00  0.00    +0.092 C 
ATOM     14  C   LIG    1        1.601  -0.358   0.619  0.00  0.00    +0.015 C 
BRANCH  13  16
ATOM     15  O   LIG    1        4.091  -1.796   0.701  0.00  0.00    -0.246 OA
ATOM     16  C   LIG    1        3.961  -0.710   0.171  0.00  0.00    +0.330 C 
BRANCH  16  17
ATOM     17  O   LIG    1        4.984  -0.070  -0.416  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1        5.744  -0.676  -0.292  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  14
TORSDOF 3