REMARK  Name = BDB000590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.046   3.159  -0.113  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1        0.468   2.100  -0.024  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        1.066   0.765  -0.012  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.024  -0.154   0.100  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.292  -1.510   0.135  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.631  -1.915   0.057  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        2.672  -0.973  -0.053  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.218   0.498   0.160  0.00  0.00    -0.241 N 
ATOM      9  C   LIG    1        2.394   0.394  -0.090  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.060   1.871   0.102  0.00  0.00    +0.293 C 
ATOM     11  O   LIG    1       -1.901   2.743   0.135  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -2.480  -0.152   0.329  0.00  0.00    +0.272 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.753  -0.907  -0.834  0.00  0.00    -0.377 OA
ATOM     14  H   LIG    1       -2.717  -0.270  -1.568  0.00  0.00    +0.211 HD
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 2