REMARK  Name = BDB046687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.332   0.080  -1.434  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.235   0.820  -0.665  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -1.148   0.519  -1.249  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -2.247   1.252  -0.476  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -3.642   1.070  -1.081  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -4.152  -0.373  -1.154  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -4.181  -1.136   0.174  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -5.158  -1.338   2.487  0.00  0.00    +0.004 C 
ATOM      9  C   LIG    1       -5.080  -0.489   1.227  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   LIG    1        2.749   0.435  -0.971  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.062  -0.047   0.448  0.00  0.00    +0.001 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.480   0.306   0.909  0.00  0.00    +0.011 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.574  -0.424   0.131  0.00  0.00    +0.120 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.937  -0.161   0.712  0.00  0.00    +0.305 C 
ATOM     15  O   LIG    1        7.224   0.595   1.624  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        7.894  -0.875   0.088  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1        8.720  -0.615   0.547  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 13