REMARK
REMARK TITLE MOLECULE
REMARK CHARGE-VALUE 0
REMARK MULTIPLICITY-VALUE 1
REMARK
REMARK REORIENT 1 3 6 | 6 3 1
REMARK
ATOM      1  O1  ADE     1     -2.992   2.100   0.320          O5'
ATOM      2  H1  ADE     1     -3.419   2.943   0.365          H5T
ATOM      3 CT2  ADE     1     -3.789   1.199  -0.401          C5'
ATOM      4  H2  ADE     1     -4.738   1.031   0.100          H5'1
ATOM      5  H2  ADE     1     -3.989   1.573  -1.401          H5'2
ATOM      6  C3  ADE     1     -3.077  -0.129  -0.513          C4'
ATOM      7  H3  ADE     1     -3.749  -0.827  -1.007          H4'
ATOM      8  O4  ADE     1     -1.901   0.013  -1.284          O4'
ATOM      9  C5  ADE     1     -0.880  -0.824  -0.835          C1'
ATOM     10  H5  ADE     1     -0.532  -1.447  -1.645          H1'
ATOM     11 CT6  ADE     1     -1.475  -1.647   0.310          C2'
ATOM     12  H6  ADE     1     -0.738  -1.896   1.061          H2'1
ATOM     13  H6  ADE     1     -1.895  -2.568  -0.081          H2'2
ATOM     14  C7  ADE     1     -2.618  -0.759   0.796          C3'
ATOM     15  H7  ADE     1     -2.252   0.011   1.464          H3'
ATOM     16  O8  ADE     1     -3.696  -1.442   1.371          O3'
ATOM     17  H8  ADE     1     -3.481  -1.694   2.258          H3T
ATOM     18  N9  ADE     1      0.249   0.000  -0.428          N9
ATOM     19 C10  ADE     1      0.281   1.348  -0.157          C8
ATOM     20 H10  ADE     1     -0.609   1.935  -0.209          H8
ATOM     21 N11  ADE     1      1.448   1.785   0.150          N7
ATOM     22 C12  ADE     1      2.259   0.670   0.082          C5
ATOM     23 C13  ADE     1      3.626   0.464   0.290          C6
ATOM     24 N14  ADE     1      4.454   1.455   0.677          N6
ATOM     25 H14  ADE     1      5.433   1.284   0.624          H61
ATOM     26 H14  ADE     1      4.138   2.395   0.613          H62
ATOM     27 N15  ADE     1      4.121  -0.755   0.123          N1
ATOM     28 C16  ADE     1      3.293  -1.733  -0.225          C2
ATOM     29 H16  ADE     1      3.749  -2.699  -0.344          H2
ATOM     30 N17  ADE     1      1.999  -1.673  -0.443          N3
ATOM     31 C18  ADE     1      1.530  -0.439  -0.279          C4
CONECT    1    2    3  
CONECT    2    1  
CONECT    3    1    4    5    6  
CONECT    4    3  
CONECT    5    3  
CONECT    6    3    7    8   14  
CONECT    7    6  
CONECT    8    6    9  
CONECT    9    8   10   11   18  
CONECT   10    9  
CONECT   11    9   12   13   14  
CONECT   12   11  
CONECT   13   11  
CONECT   14    6   11   15   16  
CONECT   15   14  
CONECT   16   14   17  
CONECT   17   16  
CONECT   18    9   19   31  
CONECT   19   18   20   21  
CONECT   20   19  
CONECT   21   19   22  
CONECT   22   21   23   31  
CONECT   23   22   24   27  
CONECT   24   23   25   26  
CONECT   25   24  
CONECT   26   24  
CONECT   27   23   28  
CONECT   28   27   29   30  
CONECT   29   28  
CONECT   30   28   31  
CONECT   31   18   22   30  
END