REMARK  Name = BDB000558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.479   2.196   1.087  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        0.162   1.151   1.066  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.576   1.113   0.608  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.282  -0.085   0.454  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        3.613  -0.048   0.007  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        4.242   1.170  -0.285  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.532   2.360  -0.132  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        2.207   2.332   0.310  0.00  0.00    +0.012 A 
BRANCH   5   9
ATOM      9  N   LIG    1        4.354  -1.303  -0.167  0.00  0.00    +0.056 N 
ATOM     10  O   LIG    1        5.577  -1.230  -0.343  0.00  0.00    -0.126 OA
ATOM     11  O   LIG    1        3.706  -2.358  -0.135  0.00  0.00    -0.126 OA
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1       -0.532  -0.119   1.501  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -0.034  -0.764   2.416  0.00  0.00    -0.283 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -1.772  -0.569   0.814  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.281   0.083  -0.315  0.00  0.00    +0.044 A 
ATOM     16  C   LIG    1       -3.451  -0.403  -0.920  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1       -4.113  -1.528  -0.411  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -3.599  -2.175   0.711  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -2.434  -1.699   1.318  0.00  0.00    +0.012 A 
BRANCH  16  20
ATOM     20  N   LIG    1       -3.984   0.272  -2.111  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1       -5.125  -0.035  -2.484  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1       -3.254   1.100  -2.673  0.00  0.00    -0.126 OA
ENDBRANCH  16  20
ENDBRANCH  12  14
ENDBRANCH   2  12
TORSDOF 5