REMARK  Name = BDB047931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.472  -2.501   2.960  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -3.356  -2.124   1.904  0.00  0.00    -0.490 OA
BRANCH   2   8
ATOM      3  C   LIG    1       -3.897  -0.532   0.247  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -4.034   0.809  -0.144  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1       -3.779   1.816   0.793  0.00  0.00    +0.148 A 
ATOM      6  N   LIG    1       -3.411   1.571   2.074  0.00  0.00    -0.245 NA
ATOM      7  C   LIG    1       -3.289   0.269   2.427  0.00  0.00    +0.157 A 
ATOM      8  C   LIG    1       -3.489  -0.807   1.566  0.00  0.00    +0.145 A 
BRANCH   5   9
ATOM      9  C   LIG    1       -3.907   3.253   0.415  0.00  0.00    +0.182 C 
ATOM     10  O   LIG    1       -4.222   3.559  -0.736  0.00  0.00    -0.291 OA
ATOM     11  C   LIG    1       -3.637   4.286   1.475  0.00  0.00    +0.093 C 
ENDBRANCH   5   9
BRANCH   4  12
ATOM     12  O   LIG    1       -4.406   1.075  -1.437  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -4.450   2.051  -1.560  0.00  0.00    +0.292 HD
ENDBRANCH   4  12
BRANCH   3  14
ATOM     14  C   LIG    1       -4.173  -1.655  -0.734  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.086  -1.353  -2.181  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -2.918  -2.301  -1.330  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   3  14
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.123  -2.959   2.415  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.314  -1.825   1.792  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.963  -2.350   1.424  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.809  -1.505   0.760  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        1.564  -0.167   0.457  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        2.525   0.580  -0.234  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        3.736   0.005  -0.626  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        3.982  -1.332  -0.321  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.020  -2.079   0.369  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1        4.578   0.849  -1.294  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.838   0.325  -1.693  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.684   1.367  -2.408  0.00  0.00    +0.345 C 
ATOM     29  O   LIG    1        7.479   1.096  -3.301  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.494   2.612  -1.889  0.00  0.00    -0.466 OA
ATOM     31  C   LIG    1        7.276   3.631  -2.512  0.00  0.00    +0.280 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 14