REMARK  Name = BDB002781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.572   0.143  -0.228  0.00  0.00    +0.337 C 
ATOM      2  O   LIG    1        1.883   0.333  -1.393  0.00  0.00    -0.245 OA
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -0.826  -0.096  -0.612  0.00  0.00    +0.015 C 
ATOM      4  C   LIG    1        0.194  -0.082   0.260  0.00  0.00    +0.092 C 
BRANCH   3   8
ATOM      5  C   LIG    1       -4.949  -0.653   0.421  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -4.576   0.277  -0.570  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -3.221   0.445  -0.888  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -2.229  -0.289  -0.224  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -2.611  -1.218   0.749  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.960  -1.396   1.072  0.00  0.00    +0.050 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -6.705  -1.666   1.686  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -6.293  -0.761   0.672  0.00  0.00    -0.491 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  O   LIG    1       -5.604   0.963  -1.169  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -5.267   1.958  -2.124  0.00  0.00    +0.277 C 
ENDBRANCH   6  13
ENDBRANCH   3   8
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  O   LIG    1        2.413   0.075   0.852  0.00  0.00    -0.420 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.743   0.364   0.516  0.00  0.00    +0.169 A 
ATOM     17  C   LIG    1        4.343   1.543   0.744  0.00  0.00    +0.232 A 
ATOM     18  C   LIG    1        5.757   1.766   0.404  0.00  0.00    +0.283 A 
ATOM     19  O   LIG    1        6.341   2.834   0.543  0.00  0.00    -0.265 OA
ATOM     20  N   LIG    1        6.407   0.660  -0.117  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        7.382   0.804  -0.359  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        5.814  -0.566  -0.336  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        6.677  -1.644  -0.916  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        4.515  -0.737  -0.032  0.00  0.00    +0.069 A 
BRANCH  17  25
ATOM     25  N   LIG    1        3.607   2.588   1.374  0.00  0.00    +0.065 N 
ATOM     26  O   LIG    1        3.955   2.914   2.516  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        2.636   3.053   0.760  0.00  0.00    -0.126 OA
ENDBRANCH  17  25
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7