REMARK  Name = BDB017252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.452   0.732  -1.114  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.049   0.763  -2.238  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.858   0.235  -0.978  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.413  -0.153   0.246  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.740  -0.618   0.328  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        4.541  -0.696  -0.839  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        5.870  -1.161  -0.698  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        6.378  -1.561   0.537  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        5.580  -1.487   1.671  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        3.954  -0.320  -2.068  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.272  -1.014   1.567  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.635   0.138  -2.134  0.00  0.00    +0.012 A 
BRANCH   7  13
ATOM     13  O   LIG    1        6.752  -1.247  -1.743  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1        6.442  -0.680  -2.465  0.00  0.00    +0.292 HD
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  C   LIG    1       -0.586   3.565  -0.726  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -1.276   2.348  -0.110  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -0.325   1.158   0.134  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1       -1.074  -0.070   0.700  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -2.544   0.064   0.706  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -2.995   0.514  -0.619  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -2.531   1.948  -0.899  0.00  0.00    +0.019 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.161  -1.211   1.095  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.599  -1.009   1.471  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.718  -1.371   0.525  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.473  -2.208   1.748  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 5