REMARK  Name = BDB048787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.932  -2.391   0.671  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.870  -1.461   0.312  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        3.179  -1.954   0.272  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        4.194  -1.094  -0.092  0.00  0.00    +0.128 A 
ATOM      5  O   LIG    1        5.517  -1.445  -0.165  0.00  0.00    -0.491 OA
ATOM      6  C   LIG    1        6.123  -0.335  -0.872  0.00  0.00    +0.238 C 
ATOM      7  C   LIG    1        5.245   0.918  -0.685  0.00  0.00    +0.071 C 
ATOM      8  C   LIG    1        3.955   0.235  -0.399  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.669   0.744  -0.368  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        1.621  -0.116  -0.013  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.691   1.787   0.492  0.00  0.00    +0.132 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.947   2.542   0.162  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1        7.594   2.480  -0.869  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.333   3.348   1.170  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1        8.153   3.774   0.844  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.423  -1.966   0.839  0.00  0.00    +0.235 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.181  -2.034  -0.485  0.00  0.00    +0.100 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -4.058  -3.791  -0.444  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1       -3.748  -2.357  -0.322  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1       -2.593  -1.605  -0.336  0.00  0.00    +0.086 A 
ATOM     21  N   LIG    1       -2.910  -0.274  -0.178  0.00  0.00    -0.214 NA
ATOM     22  C   LIG    1       -4.227  -0.261  -0.082  0.00  0.00    +0.228 A 
ATOM     23  O   LIG    1       -4.802  -1.503  -0.162  0.00  0.00    -0.440 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -5.129   0.875   0.096  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -4.600   2.172   0.183  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -5.438   3.277   0.354  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.817   3.099   0.440  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.358   1.819   0.356  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.520   0.713   0.184  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8