REMARK  Name = BDB046921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.184  -0.492  -0.459  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.120   0.107  -0.346  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -1.836  -0.603  -0.198  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.665   0.161  -0.075  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.524  -0.571   0.062  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        0.551  -1.947   0.076  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -0.609  -2.619  -0.048  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1       -0.733   1.570  -0.093  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1       -1.875   2.144  -0.223  0.00  0.00    +0.200 A 
ATOM     10  C   LIG    1       -1.826  -1.997  -0.187  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1       -3.052   1.472  -0.348  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -3.925   1.970  -0.449  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   5  13
ATOM     13  N   LIG    1        1.804   0.069   0.199  0.00  0.00    -0.220 N 
ATOM     14  N   LIG    1        2.009   1.413   0.211  0.00  0.00    -0.173 NA
ATOM     15  C   LIG    1        3.325   1.564   0.356  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1        4.003   0.342   0.440  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        3.012  -0.602   0.338  0.00  0.00    +0.116 A 
ENDBRANCH   5  13
TORSDOF 1