REMARK  Name = BDB002827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.498  -0.077  -2.174  0.00  0.00    -0.305 N 
ATOM      2  H   LIG    1       -0.219  -0.519  -1.608  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.386   1.286  -2.357  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1        1.340   1.988  -2.687  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.815  -0.695  -2.141  0.00  0.00    +0.224 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.436  -0.594  -0.752  0.00  0.00    +0.324 C 
ATOM      7  O   LIG    1        1.819  -0.339   0.276  0.00  0.00    -0.249 OA
BRANCH   6   8
ATOM      8  O   LIG    1        3.765  -0.892  -0.819  0.00  0.00    -0.464 OA
BRANCH   8  10
ATOM      9  C   LIG    1        4.392  -2.159   1.147  0.00  0.00    +0.048 C 
ATOM     10  C   LIG    1        4.482  -0.829   0.422  0.00  0.00    +0.229 C 
ENDBRANCH   8  10
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   3  11
ATOM     11  C   LIG    1       -1.014   1.862  -2.205  0.00  0.00    +0.130 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.817   1.300  -1.055  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1       -3.045   0.669  -1.285  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.777   0.143  -0.218  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -3.302   0.238   1.091  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -2.083   0.873   1.327  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -1.349   1.405   0.262  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -4.115  -0.323   2.037  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1       -3.672  -0.252   3.387  0.00  0.00    +0.277 C 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 7