REMARK  Name = BDB051666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.023  -1.130   2.361  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.961  -1.098   1.753  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.473   0.139   1.082  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.176   0.194   0.540  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -1.775   1.338  -0.173  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -0.423   1.348  -0.835  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.073  -0.077  -1.268  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -0.044  -0.980  -0.114  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.041  -1.761   0.265  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        1.000  -2.466   1.277  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.637   2.437  -0.272  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.908   2.388   0.302  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.216  -0.963   0.783  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -2.025  -2.275   0.750  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.332   1.238   0.968  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -3.169  -2.215   1.642  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -3.569  -3.067   2.016  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.303  -1.746  -0.587  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.166  -0.519  -0.397  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1        3.773   0.090  -1.505  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.584   1.215  -1.342  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.809   1.734  -0.069  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.231   1.124   1.042  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.421  -0.000   0.881  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2