REMARK  Name = BDB000624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.114   0.571  -0.450  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.930   0.364  -0.311  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        1.785   1.407  -0.442  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        1.879   2.584  -0.700  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        0.552   0.659  -0.184  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.923  -0.662   0.067  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -0.019  -1.630   0.348  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.364  -1.234   0.372  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -1.728   0.113   0.114  0.00  0.00    +0.127 A 
ATOM     10  C   LIG    1       -0.761   1.087  -0.171  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1        2.302  -0.828  -0.007  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1        2.811  -1.689   0.136  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -3.148   0.493   0.146  0.00  0.00    +0.056 N 
ATOM     14  O   LIG    1       -3.430   1.677  -0.083  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1       -3.974  -0.394   0.401  0.00  0.00    -0.126 OA
ENDBRANCH   9  13
TORSDOF 1