REMARK  Name = BDB047545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.727  -1.435   0.913  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.705  -1.176  -0.169  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1        1.409  -1.137   0.356  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.307  -0.876  -0.448  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.510  -0.676  -1.814  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.812  -0.738  -2.341  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.420  -1.377   1.832  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1        2.918  -0.990  -1.523  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.796  -2.035   2.002  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        4.451  -0.161   1.390  0.00  0.00    +0.213 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.192   0.517   0.267  0.00  0.00    +0.322 C 
ATOM     12  O   LIG    1        4.933   1.641  -0.144  0.00  0.00    -0.250 OA
BRANCH  11  13
ATOM     13  O   LIG    1        6.183  -0.280  -0.224  0.00  0.00    -0.464 OA
BRANCH  13  15
ATOM     14  C   LIG    1        8.105   1.100  -0.739  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        6.961   0.274  -1.297  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  16
ATOM     16  C   LIG    1        5.413  -0.470   2.506  0.00  0.00    +0.319 C 
ATOM     17  O   LIG    1        5.822  -1.568   2.847  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.815   0.632   3.171  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1        6.427   0.297   3.861  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   5  20
ATOM     20  O   LIG    1       -0.457  -0.408  -2.745  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.821  -0.376  -2.320  0.00  0.00    +0.235 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.199   1.008  -1.798  0.00  0.00    +0.100 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.621   1.074  -1.381  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1       -4.691   1.698  -1.987  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1       -4.872   2.506  -3.205  0.00  0.00    +0.088 C 
ATOM     26  O   LIG    1       -5.796   1.475  -1.217  0.00  0.00    -0.440 OA
ATOM     27  C   LIG    1       -5.338   0.715  -0.171  0.00  0.00    +0.228 A 
ATOM     28  N   LIG    1       -4.046   0.449  -0.230  0.00  0.00    -0.214 NA
BRANCH  27  29
ATOM     29  C   LIG    1       -6.319   0.314   0.834  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -5.911  -0.466   1.928  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -6.826  -0.865   2.905  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -8.163  -0.489   2.801  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.586   0.285   1.723  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -7.670   0.684   0.746  0.00  0.00    +0.013 A 
ENDBRANCH  27  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 11