REMARK  Name = BDB046783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.339  -0.345  -0.687  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.021   0.256  -1.440  0.00  0.00    -0.031 C 
ATOM      3  C   LIG    1       -0.187  -0.292  -1.650  0.00  0.00    -0.031 C 
BRANCH   2   4
ATOM      4  C   LIG    1        1.480   0.995  -0.215  0.00  0.00    +0.027 C 
BRANCH   4   5
ATOM      5  C   LIG    1        2.358   0.148   0.711  0.00  0.00    +0.004 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.658  -0.386   0.096  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1        4.607   0.722  -0.372  0.00  0.00    +0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.962   0.182  -0.845  0.00  0.00    -0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1        7.083   0.271   0.196  0.00  0.00    -0.000 C 
BRANCH   9  11
ATOM     10  C   LIG    1        8.061  -0.558   2.364  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1        6.850  -0.579   1.444  0.00  0.00    -0.003 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   2   4
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -2.463   0.599  -1.117  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.646   0.532  -0.148  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.770   1.475  -0.581  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.933   1.535   0.414  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.646   0.207   0.685  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -7.250  -0.423  -0.565  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -8.030  -1.663  -0.211  0.00  0.00    +0.305 C 
ATOM     19  O   LIG    1       -7.588  -2.798  -0.305  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -9.274  -1.402   0.246  0.00  0.00    -0.481 OA
ATOM     21  H   LIG    1       -9.492  -0.451   0.278  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 16