REMARK  Name = BDB059726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.090   0.050   0.483  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        0.618   1.430   0.812  0.00  0.00    +0.256 A 
ATOM      3  O   LIG    1        1.371   2.287   1.263  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -0.697   1.715   0.573  0.00  0.00    -0.320 N 
ATOM      5  H   LIG    1       -0.986   2.658   0.800  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.622   0.776   0.108  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -1.211  -0.532  -0.163  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.181  -1.458  -0.557  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -3.494  -1.030  -0.697  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1       -3.902   0.236  -0.472  0.00  0.00    -0.261 NA
ATOM     11  C   LIG    1       -2.958   1.112  -0.065  0.00  0.00    +0.137 A 
ATOM     12  C   LIG    1        0.216  -0.858   0.013  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.420   0.292  -0.426  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        2.552  -0.230   0.710  0.00  0.00    +0.041 C 
ENDBRANCH   1  14
BRANCH  12  15
ATOM     15  O   LIG    1        0.642  -2.121  -0.350  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1        0.142  -2.401  -1.135  0.00  0.00    +0.292 HD
ENDBRANCH  12  15
TORSDOF 2