REMARK  Name = BDB003814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.947   1.651  -0.191  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.893   1.154   0.201  0.00  0.00    +0.221 C 
ATOM      3  N   LIG    1       -1.706   1.522  -0.370  0.00  0.00    -0.254 N 
ATOM      4  H   LIG    1       -1.943   2.261  -1.026  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.009   0.603  -1.111  0.00  0.00    +0.253 C 
ATOM      6  O   LIG    1       -0.900   0.775  -2.328  0.00  0.00    -0.272 OA
ATOM      7  C   LIG    1       -0.356  -0.602  -0.385  0.00  0.00    +0.234 C 
ATOM      8  O   LIG    1       -0.819  -0.964   0.908  0.00  0.00    -0.362 OA
ATOM      9  C   LIG    1       -2.229  -1.128   0.977  0.00  0.00    +0.170 C 
ATOM     10  C   LIG    1       -2.854   0.192   1.357  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.149  -0.385  -0.300  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        1.976  -0.767  -1.369  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.353  -0.545  -1.317  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.921   0.065  -0.200  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.112   0.458   0.864  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        1.734   0.239   0.813  0.00  0.00    +0.006 A 
ENDBRANCH   7  11
TORSDOF 1