REMARK  Name = BDB002497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.594  -0.722  -0.263  0.00  0.00    +0.085 C 
ATOM      2  C   LIG    1        1.270  -0.923  -0.222  0.00  0.00    +0.076 C 
ATOM      3  C   LIG    1        0.694  -2.294  -0.303  0.00  0.00    +0.346 C 
ATOM      4  O   LIG    1        1.304  -3.344  -0.407  0.00  0.00    -0.244 OA
ATOM      5  O   LIG    1       -0.677  -2.169  -0.240  0.00  0.00    -0.422 OA
ATOM      6  C   LIG    1       -0.919  -0.784  -0.124  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1        0.175  -0.023  -0.113  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -2.324  -0.351  -0.045  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -3.354  -1.219  -0.440  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -4.695  -0.828  -0.367  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.027   0.438   0.106  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.020   1.311   0.508  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.680   0.919   0.435  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
BRANCH   1  15
ATOM     14  C   LIG    1        2.881   1.750   0.120  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        3.390   0.421  -0.207  0.00  0.00    -0.341 N 
ATOM     16  C   LIG    1        4.851   0.304  -0.192  0.00  0.00    +0.128 C 
ENDBRANCH   1  15
TORSDOF 2