REMARK  Name = BDB001849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.869  -2.924   0.757  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.222  -1.935   0.429  0.00  0.00    +0.258 A 
ATOM      3  C   LIG    1        2.833  -0.589   0.369  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.028   0.488  -0.017  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        2.588   1.768  -0.082  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        3.935   1.961   0.237  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.730   0.880   0.623  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.621   0.254  -0.346  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.075  -0.976  -0.265  0.00  0.00    +0.104 A 
ATOM     10  C   LIG    1        4.181  -0.400   0.689  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        0.890  -2.021   0.097  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.498  -2.949   0.165  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -1.234  -1.250  -0.593  0.00  0.00    -0.301 N 
ATOM     14  H   LIG    1       -1.421  -2.232  -0.759  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.404  -0.525  -0.281  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1       -2.446   0.521   0.648  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -3.630   1.228   0.884  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.789   0.905   0.183  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.764  -0.124  -0.753  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.580  -0.829  -0.985  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   9  13
TORSDOF 2