REMARK  Name = BDB047339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.564   0.039  -0.568  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -1.312  -2.116   0.328  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.959  -1.434  -0.623  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.859  -1.989  -1.849  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.087  -2.931  -1.702  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.773   0.249  -1.029  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.815  -0.084  -0.211  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        3.077   0.166  -0.756  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.239  -0.124  -0.038  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.155  -0.681   1.242  0.00  0.00    -0.022 A 
ATOM     11  C   LIG    1        2.890  -0.920   1.793  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.727  -0.627   1.070  0.00  0.00    +0.046 A 
BRANCH  10  13
ATOM     13  C   LIG    1        5.401  -0.967   2.036  0.00  0.00    +0.191 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.770   0.163   2.814  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1        5.135   0.875   2.627  0.00  0.00    +0.210 HD
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.486   0.869  -1.476  0.00  0.00    +0.091 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.909   0.951  -0.980  0.00  0.00    -0.043 A 
ATOM     18  C   LIG    1       -3.248   1.825   0.062  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -4.560   1.887   0.533  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.543   1.078  -0.031  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.217   0.206  -1.068  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.905   0.142  -1.541  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8