REMARK  Name = BDB017099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.557  -1.516  -0.797  0.00  0.00    +0.171 C 
ATOM      2  O   LIG    1        0.476  -2.494  -1.537  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.487   1.465  -1.709  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        3.413   0.944  -0.413  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        2.486  -0.054  -0.104  0.00  0.00    +0.134 A 
ATOM      6  C   LIG    1        1.597  -0.504  -1.080  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        1.690  -0.010  -2.385  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        2.631   0.977  -2.697  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1        4.443   3.115  -3.128  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        4.437   2.433  -1.879  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
BRANCH   5  11
ATOM     11  O   LIG    1        2.449  -0.545   1.173  0.00  0.00    -0.494 OA
ATOM     12  C   LIG    1        3.410  -1.592   1.325  0.00  0.00    +0.277 C 
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   1  13
ATOM     13  C   LIG    1       -0.428  -1.241   0.330  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -1.763  -0.813  -0.296  0.00  0.00    +0.096 C 
ATOM     15  N   LIG    1       -2.853  -0.571   0.673  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -3.024  -1.771   1.518  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -1.747  -2.269   2.202  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -0.615  -2.480   1.204  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -2.607   0.637   1.494  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -3.923   1.084   2.195  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -4.240   1.964   0.974  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -2.742   1.927   0.632  0.00  0.00    +0.019 C 
ENDBRANCH  15  19
ENDBRANCH   1  13
TORSDOF 5