REMARK  Name = BDB053809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.574  -0.084   0.849  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.474   1.306   0.904  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.594   1.960   0.279  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        1.578   1.226  -0.393  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.468  -0.165  -0.470  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.399  -0.811   0.156  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.679   1.965  -1.055  0.00  0.00    +0.186 C 
ATOM      8  O   LIG    1        2.453   3.042  -1.598  0.00  0.00    -0.287 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.061   1.416  -1.074  0.00  0.00    +0.052 C 
ATOM     10  C   LIG    1        4.582   0.648  -0.105  0.00  0.00    +0.011 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.960   0.137  -0.123  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1        6.213  -1.139   0.398  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        7.512  -1.653   0.423  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        8.573  -0.892  -0.061  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        8.337   0.386  -0.565  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        7.038   0.900  -0.591  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1       -1.557  -0.851   1.406  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.622  -0.214   2.111  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.733   0.257   1.168  0.00  0.00    +0.042 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.329  -0.902   0.355  0.00  0.00    +0.021 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.653   0.122   0.111  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -5.462  -0.513  -0.626  0.00  0.00    +0.062 C 
ATOM     23  C   LIG    1       -4.974   0.470  -1.703  0.00  0.00    +0.022 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.947  -1.802  -1.288  0.00  0.00    +0.310 C 
ATOM     25  O   LIG    1       -6.939  -2.446  -0.989  0.00  0.00    -0.250 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.130  -2.251  -2.262  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -5.554  -3.082  -2.561  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10