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      3.099  -2.035   0.471          O5'
ATOM      2  H1  ADE     1      3.406  -2.930   0.512          H5T
ATOM      3 CT2  ADE     1      3.691  -1.377  -0.620          C5'
ATOM      4  H2  ADE     1      4.770  -1.320  -0.496          H5'1
ATOM      5  H2  ADE     1      3.480  -1.900  -1.547          H5'2
ATOM      6  C3  ADE     1      3.133   0.027  -0.720          C4'
ATOM      7  H3  ADE     1      3.673   0.557  -1.495          H4'
ATOM      8  O4  ADE     1      1.768  -0.033  -1.078          O4'
ATOM      9  C5  ADE     1      0.958   0.644  -0.161          C1'
ATOM     10  H5  ADE     1      0.707   1.626  -0.531          H1'
ATOM     11 CT6  ADE     1      1.785   0.722   1.121          C2'
ATOM     12  H6  ADE     1      1.679  -0.194   1.686          H2'1
ATOM     13  H6  ADE     1      1.494   1.557   1.747          H2'2
ATOM     14  C7  ADE     1      3.203   0.841   0.578          C3'
ATOM     15  H7  ADE     1      3.946   0.448   1.263          H3'
ATOM     16  O8  ADE     1      3.520   2.162   0.212          O3'
ATOM     17  H8  ADE     1      3.521   2.715   0.981          H3T
ATOM     18  N9  ADE     1     -0.286  -0.071  -0.030          N9
ATOM     19 C10  ADE     1     -0.451  -1.425   0.138          C8
ATOM     20 H10  ADE     1      0.399  -2.071   0.194          H8
ATOM     21 N11  ADE     1     -1.675  -1.796   0.204          N7
ATOM     22 C12  ADE     1     -2.392  -0.621   0.070          C5
ATOM     23 C13  ADE     1     -3.759  -0.334   0.051          C6
ATOM     24 N14  ADE     1     -4.700  -1.285   0.219          N6
ATOM     25 H14  ADE     1     -5.641  -1.043   0.007          H61
ATOM     26 H14  ADE     1     -4.433  -2.240   0.144          H62
ATOM     27 N15  ADE     1     -4.145   0.924  -0.115          N1
ATOM     28 C16  ADE     1     -3.212   1.859  -0.245          C2
ATOM     29 H16  ADE     1     -3.582   2.860  -0.375          H2
ATOM     30 N17  ADE     1     -1.906   1.722  -0.237          N3
ATOM     31 C18  ADE     1     -1.544   0.452  -0.082          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