REMARK  Name = BDB041972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C1*   U A  1       -0.235   0.192  -1.116  0.00  0.00    +0.226 C 
ATOM      2  O4*   U A  1       -1.366   0.692  -0.369  0.00  0.00    -0.348 OA
ATOM      3  C4*   U A  1       -2.200  -0.444  -0.056  0.00  0.00    +0.175 C 
ATOM      4  C3*   U A  1       -1.235  -1.615   0.066  0.00  0.00    +0.150 C 
ATOM      5  C2*   U A  1       -0.292  -1.334  -1.081  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1  12
ATOM      6  O4    U A  1        4.564   1.993   0.784  0.00  0.00    -0.268 OA
ATOM      7  C4    U A  1        3.479   1.612   0.363  0.00  0.00    +0.254 A 
ATOM      8  N3    U A  1        3.251   1.312  -0.948  0.00  0.00    -0.275 N 
ATOM      9  H3    U A  1        4.030   1.399  -1.581  0.00  0.00    +0.173 HD
ATOM     10  C2    U A  1        2.081   0.828  -1.472  0.00  0.00    +0.331 A 
ATOM     11  O2    U A  1        2.022   0.505  -2.657  0.00  0.00    -0.246 OA
ATOM     12  N1    U A  1        1.017   0.721  -0.582  0.00  0.00    -0.274 N 
ATOM     13  C6    U A  1        1.176   0.997   0.762  0.00  0.00    +0.098 A 
ATOM     14  C5    U A  1        2.333   1.431   1.266  0.00  0.00    +0.088 A 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  O3*   U A  1       -1.886  -2.864  -0.087  0.00  0.00    -0.389 OA
ATOM     16  H3*   U A  1       -1.212  -3.560   0.006  0.00  0.00    +0.210 HD
ENDBRANCH   4  15
BRANCH   3  17
ATOM     17  C5*   U A  1       -3.015  -0.174   1.205  0.00  0.00    +0.190 C 
BRANCH  17  18
ATOM     18  O5*   U A  1       -2.178   0.306   2.257  0.00  0.00    -0.392 OA
ATOM     19  H5*   U A  1       -1.857   1.173   1.946  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4