REMARK  Name = BDB047347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851  -1.181  -0.400  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.020  -2.596   0.153  0.00  0.00    +0.346 C 
ATOM      3  O   LIG    1       -1.857  -2.920   0.984  0.00  0.00    -0.247 OA
BRANCH   2   4
ATOM      4  O   LIG    1       -0.151  -3.492  -0.379  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        0.447  -3.049  -1.021  0.00  0.00    +0.295 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  O   LIG    1        0.309  -1.141  -1.256  0.00  0.00    -0.477 OA
BRANCH   6  10
ATOM      7  C   LIG    1        3.880   0.515   0.128  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        3.041  -0.127   1.039  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        1.830  -0.689   0.613  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        1.448  -0.600  -0.726  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        2.296   0.021  -1.641  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        3.502   0.581  -1.214  0.00  0.00    +0.049 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.506   1.071   1.770  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        5.081   1.101   0.414  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -2.073  -0.827  -1.262  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.005   0.134  -0.560  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -3.993  -0.342   0.311  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.835   0.550   0.977  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.695   1.922   0.781  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.711   2.405  -0.079  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.867   1.516  -0.746  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7