REMARK  Name = BDB049426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.128   1.294  -0.672  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        1.230   0.636  -0.288  0.00  0.00    +0.176 C 
ATOM      3  C   LIG    1        2.558   1.293  -0.147  0.00  0.00    +0.232 C 
ATOM      4  O   LIG    1        2.866   2.446  -0.354  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1        3.414   0.204   0.304  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1        2.619  -0.933   0.397  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1        3.150  -2.136   0.805  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        4.517  -2.174   1.120  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        5.320  -1.017   1.023  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        4.760   0.196   0.607  0.00  0.00    +0.061 A 
ATOM     11  O   LIG    1        1.308  -0.711   0.050  0.00  0.00    -0.451 OA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.628   0.941  -0.502  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1       -3.816  -0.303  -1.111  0.00  0.00    +0.158 A 
ATOM     14  C   LIG    1       -2.716  -1.032  -1.578  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -1.422  -0.527  -1.435  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.209   0.706  -0.815  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -2.320   1.434  -0.367  0.00  0.00    +0.057 A 
BRANCH  13  18
ATOM     18  O   LIG    1       -5.061  -0.842  -1.274  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -4.982  -1.702  -1.718  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
BRANCH  12  20
ATOM     20  O   LIG    1       -4.568   1.795   0.006  0.00  0.00    -0.489 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -6.759   2.539   0.555  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -5.940   1.422  -0.071  0.00  0.00    +0.226 C 
ENDBRANCH  20  22
ENDBRANCH  12  20
ENDBRANCH   1  16
BRANCH   9  23
ATOM     23  O   LIG    1        6.658  -0.950   1.306  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        7.288  -2.147   1.746  0.00  0.00    +0.277 C 
ENDBRANCH   9  23
TORSDOF 5