REMARK  Name = BDB045854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.745  -0.232  -0.069  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -0.394   0.593  -0.070  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.701   0.074  -0.025  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -1.900  -1.305   0.034  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.797  -2.150   0.021  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.498  -1.618  -0.039  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.838   1.032  -0.023  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1       -2.706   2.195   0.337  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -4.045   0.576  -0.481  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -4.114  -0.251  -1.055  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1       -4.759   1.283  -0.600  0.00  0.00    +0.145 HD
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  C   LIG    1        3.163  -0.564   0.264  0.00  0.00    +0.129 C 
ATOM     13  N   LIG    1        2.044   0.287  -0.140  0.00  0.00    -0.336 N 
ATOM     14  C   LIG    1        2.245   1.723   0.059  0.00  0.00    +0.129 C 
ENDBRANCH   1  13
TORSDOF 2