REMARK  Name = BDB017224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.188   0.820   1.233  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.512   1.339   2.301  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.889  -0.846  -0.582  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.423   0.063   0.370  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.043   0.244   0.579  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.117  -0.503  -0.183  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.737  -0.324   0.025  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.268   0.593   0.974  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.192   1.322   1.732  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.597  -1.414  -1.135  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.564   1.151   1.535  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.969  -1.580  -1.330  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.181  -0.389  -0.138  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.199  -1.107  -0.874  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.222   0.407   0.183  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -1.113   1.209  -1.130  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -1.288   2.720  -0.921  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -2.144   0.680  -2.154  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -3.274  -0.153  -1.531  0.00  0.00    +0.084 C 
ATOM     20  N   LIG    1       -3.699   0.443  -0.275  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1       -2.655   0.482   0.758  0.00  0.00    +0.096 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.008   0.016   0.210  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.104  -1.442   0.553  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.920  -1.934   1.968  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.288  -1.936   1.349  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  15
TORSDOF 5