REMARK  Name = BDB046989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.378   2.062   0.578  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.649   1.120   0.271  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -1.186   1.329   0.121  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -0.207   0.313   0.123  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        1.161   0.608  -0.004  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        1.564   1.954  -0.140  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.611   2.970  -0.137  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.891  -0.624   0.039  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.956  -1.624   0.200  0.00  0.00    +0.092 A 
ATOM     10  N   LIG    1       -0.289  -1.058   0.242  0.00  0.00    -0.344 N 
ATOM     11  C   LIG    1       -1.510  -1.830   0.372  0.00  0.00    +0.140 C 
ATOM     12  C   LIG    1       -2.626  -1.287  -0.501  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -0.738   2.659  -0.005  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -3.232  -0.101   0.061  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -4.243  -0.057   0.122  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1        3.371  -0.776  -0.057  0.00  0.00    +0.193 C 
BRANCH  16  17
ATOM     17  O   LIG    1        3.769  -2.138  -0.189  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1        4.739  -2.137  -0.233  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 2