REMARK  Name = BDB002272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.037   1.661  -0.975  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        0.011   0.401  -0.406  0.00  0.00    -0.259 N 
ATOM      3  C   LIG    1        1.151  -0.476  -0.572  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        1.479  -1.038   0.771  0.00  0.00    +0.017 C 
ATOM      5  C   LIG    1        2.663  -1.014   1.411  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        0.343  -1.723   1.450  0.00  0.00    +0.188 C 
ATOM      7  O   LIG    1        0.508  -2.485   2.397  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -1.009  -1.436   0.888  0.00  0.00    +0.017 C 
ATOM      9  C   LIG    1       -1.954  -2.371   1.110  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -1.220  -0.158   0.132  0.00  0.00    +0.150 C 
ATOM     11  O   LIG    1        1.017   2.146  -1.526  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.892  -0.395   0.907  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1        3.965   0.979   0.646  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        5.153   1.545   0.179  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.278   0.746  -0.017  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.217  -0.620   0.255  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.029  -1.189   0.719  0.00  0.00    +0.008 A 
ENDBRANCH   5  12
BRANCH   9  18
ATOM     18  C   LIG    1       -3.339  -2.260   0.648  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1       -3.780  -3.050  -0.418  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -5.096  -2.944  -0.873  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.976  -2.051  -0.262  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.543  -1.265   0.805  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.228  -1.369   1.262  0.00  0.00    +0.008 A 
ENDBRANCH   9  18
BRANCH   1  24
ATOM     24  O   LIG    1       -1.155   2.306  -0.848  0.00  0.00    -0.451 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -0.728   4.646  -0.396  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -1.221   3.627  -1.406  0.00  0.00    +0.230 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 4