REMARK  Name = BDB048560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.014   2.915   0.252  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.165   2.224   0.188  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.174   2.702   1.026  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.422   2.076   1.067  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        3.673   0.951   0.274  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1        2.652   0.462  -0.550  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        1.404   1.092  -0.590  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.026   0.281   0.302  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.897   0.605  -0.920  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.279   2.086  -0.937  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        6.115   2.853  -1.875  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.904   2.512   0.180  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        7.119   3.448  -0.010  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        7.037  -0.263  -0.879  0.00  0.00    -0.365 OA
BRANCH  14  15
ATOM     15  C   LIG    1        7.784  -0.252  -2.095  0.00  0.00    +0.157 C 
ATOM     16  C   LIG    1        8.926  -1.240  -1.959  0.00  0.00    +0.034 C 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.911   2.800  -0.853  0.00  0.00    +0.256 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.150   1.004   0.451  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -1.987   1.768  -0.642  0.00  0.00    +0.014 C 
BRANCH  18  24
ATOM     20  C   LIG    1       -3.866  -2.212   1.386  0.00  0.00    +0.125 A 
ATOM     21  C   LIG    1       -5.170  -1.963   0.962  0.00  0.00    +0.091 A 
ATOM     22  C   LIG    1       -5.509  -0.742   0.365  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -4.528   0.236   0.194  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -3.207  -0.007   0.594  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -2.892  -1.230   1.198  0.00  0.00    +0.053 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -3.409  -3.357   1.977  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -4.566  -5.347   1.215  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -4.350  -4.362   2.351  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
BRANCH  22  29
ATOM     29  O   LIG    1       -6.827  -0.636   0.016  0.00  0.00    -0.492 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -7.261   0.512  -0.711  0.00  0.00    +0.225 C 
ATOM     31  C   LIG    1       -7.684   1.622   0.236  0.00  0.00    +0.048 C 
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  18  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 14