REMARK  Name = BDB045451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.476   1.064   0.846  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -2.677   0.385   0.641  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -2.687  -0.854  -0.005  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -1.483  -1.411  -0.453  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1       -0.267  -0.755  -0.223  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.276   0.492   0.412  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.992  -1.529  -0.217  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1       -5.045  -0.905  -0.238  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -3.983  -2.891  -0.350  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -3.208  -3.454  -0.032  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1       -4.895  -3.330  -0.358  0.00  0.00    +0.145 HD
ENDBRANCH   3   7
BRANCH   5  12
ATOM     12  N   LIG    1        0.892  -1.387  -0.710  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1        0.756  -2.108  -1.411  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        2.223  -1.189  -0.478  0.00  0.00    +0.241 C 
ATOM     15  O   LIG    1        3.060  -1.750  -1.182  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.644  -0.425   0.715  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1        3.643   0.469   0.698  0.00  0.00    +0.096 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.354   0.916  -0.504  0.00  0.00    +0.330 C 
ATOM     19  O   LIG    1        5.539   1.186  -0.548  0.00  0.00    -0.246 OA
BRANCH  18  20
ATOM     20  O   LIG    1        3.528   1.131  -1.538  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1        4.127   1.389  -2.269  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  14  16
ENDBRANCH   5  12
BRANCH   1  23
ATOM     22  C   LIG    1       -0.437   3.064   1.622  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -1.609   2.273   1.473  0.00  0.00    -0.495 OA
ENDBRANCH   1  23
TORSDOF 6