REMARK  Name = BDB031574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.643  -0.091   0.735  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.237   0.510   0.029  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.112  -1.134   1.218  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.282  -1.874   2.113  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -4.727   1.203  -1.433  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -3.979   0.928  -0.500  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.365   1.917   0.223  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.526   2.845  -0.148  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.173   1.763   0.883  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.358   2.685   0.924  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.849   0.362   1.415  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -3.038  -0.584   1.249  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.605  -0.494  -0.158  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.392  -1.321   0.564  0.00  0.00    +0.082 A 
ATOM     15  C   LIG    1        2.289  -0.393  -0.062  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        3.350  -1.158  -0.539  0.00  0.00    +0.136 A 
ATOM     17  C   LIG    1        4.444  -0.645  -1.232  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.465   0.737  -1.438  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.438   1.549  -0.956  0.00  0.00    +0.001 A 
ATOM     20  O   LIG    1        3.174  -2.468  -0.223  0.00  0.00    -0.462 OA
ATOM     21  C   LIG    1        2.347   1.003  -0.262  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        2.007  -2.555   0.461  0.00  0.00    +0.209 A 
ENDBRANCH   3  14
TORSDOF 2