REMARK  Name = BDB028551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.388   1.637  -0.890  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.228   2.704  -1.345  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -0.979   2.901  -2.264  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.062   2.142  -0.832  0.00  0.00    +0.266 C 
BRANCH   4   5
ATOM      5  O   LIG    1        1.939   1.049  -0.536  0.00  0.00    -0.448 OA
BRANCH   5   7
ATOM      6  O   LIG    1        3.678   2.502  -0.746  0.00  0.00    -0.226 OA
ATOM      7  C   LIG    1        3.260   1.374  -0.514  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        4.070   0.289  -0.203  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        3.514  -0.939   0.362  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1        4.394  -2.154   0.081  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1        5.843  -1.898   0.479  0.00  0.00    +0.003 C 
ATOM     12  C   LIG    1        6.366  -0.644  -0.212  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        5.476   0.560   0.077  0.00  0.00    +0.111 C 
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1       -0.854   1.147   0.506  0.00  0.00    +0.119 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -2.105   0.372   0.602  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -3.294   1.139   0.200  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -4.578   0.341   0.329  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1       -4.553  -1.066   0.326  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -5.754  -1.784   0.406  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -6.974  -1.110   0.462  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -7.003   0.283   0.445  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.233  -1.796   0.307  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -5.812   1.005   0.375  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -2.062  -0.900  -0.124  0.00  0.00    +0.089 C 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6