REMARK  Name = BDB051646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.688   2.672  -0.259  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.679   1.994  -0.122  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.691   0.515  -0.301  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.487  -0.215  -0.312  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.537  -1.617  -0.392  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -1.254  -2.397  -0.320  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.261  -1.656   0.578  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        0.004  -0.304   0.077  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.275   0.234  -0.128  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        1.414   1.346  -0.639  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.770  -2.267  -0.530  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.955  -1.532  -0.553  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.159   0.530  -0.291  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -1.324   1.772   0.611  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.919  -0.143  -0.429  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.478   2.563   0.223  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -2.514   3.552   0.438  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.470  -0.611   0.301  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.799   0.105   0.240  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1        4.476   0.252  -0.974  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        5.693   0.917  -0.982  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1        6.274   1.435   0.121  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        5.597   1.297   1.280  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        4.374   0.652   1.390  0.00  0.00    +0.024 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2