ANU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | doub | 1.22Å | 1.23Å | |
N3 | C4 | sing | 1.34Å | 1.40Å | |
N3 | C2 | doub | 1.33Å | 1.40Å | |
C4 | C5 | sing | 1.42Å | 1.39Å | |
O2 | C2 | sing | 1.35Å | 1.36Å | |
O2 | C2' | sing | 1.45Å | 1.44Å | |
C2 | N1 | sing | 1.35Å | 1.40Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
C5 | C6 | doub | 1.35Å | 1.39Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.53Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
N1 | C6 | sing | 1.37Å | 1.40Å | |
N1 | C1' | sing | 1.47Å | 1.48Å | |
C1' | O4' | sing | 1.44Å | 1.44Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
O3' | H1 | sing | 0.97Å | 0.95Å | |
C3' | H2 | sing | 1.09Å | 1.10Å | |
C2' | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C1' | H6 | sing | 1.09Å | 1.10Å | |
C4' | H7 | sing | 1.09Å | 1.10Å | |
C5' | H8 | sing | 1.09Å | 1.10Å | |
C5' | H9 | sing | 1.09Å | 1.10Å | |
O5' | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | N3 | 119.4° | 120.2° |
O4 | C4 | C5 | 120.2° | 120.2° |
C4 | N3 | C2 | 120.7° | 121.5° |
N3 | C4 | C5 | 120.4° | 119.6° |
N3 | C2 | O2 | 129.8° | 127.5° |
N3 | C2 | N1 | 118.7° | 119.9° |
C4 | C5 | C6 | 119.4° | 118.4° |
C4 | C5 | H4 | 120.3° | 120.8° |
C2 | O2 | C2' | 109.0° | 110.2° |
O2 | C2 | N1 | 111.4° | 112.6° |
O2 | C2' | C3' | 108.4° | 109.6° |
O2 | C2' | C1' | 107.0° | 104.2° |
O2 | C2' | H3 | 113.1° | 113.0° |
C2 | N1 | C6 | 120.1° | 121.1° |
C2 | N1 | C1' | 108.4° | 109.3° |
C3' | C2' | C1' | 104.6° | 104.2° |
C2' | C3' | O3' | 110.0° | 110.9° |
C2' | C3' | C4' | 102.0° | 102.1° |
C2' | C3' | H2 | 111.5° | 111.1° |
C3' | C2' | H3 | 111.6° | 112.5° |
C2' | C1' | N1 | 103.3° | 103.7° |
C2' | C1' | O4' | 106.7° | 107.1° |
C1' | C2' | H3 | 111.7° | 112.7° |
C2' | C1' | H6 | 111.1° | 112.0° |
C5 | C6 | N1 | 120.7° | 119.6° |
C6 | C5 | H4 | 120.3° | 120.8° |
C5 | C6 | H5 | 119.6° | 120.2° |
O3' | C3' | C4' | 108.1° | 110.8° |
C3' | O3' | H1 | 109.5° | 114.0° |
O3' | C3' | H2 | 113.1° | 110.8° |
C3' | C4' | C5' | 111.5° | 110.6° |
C3' | C4' | O4' | 102.9° | 103.5° |
C4' | C3' | H2 | 111.5° | 110.9° |
C3' | C4' | H7 | 110.2° | 110.6° |
C4' | C5' | O5' | 109.2° | 109.5° |
C5' | C4' | O4' | 110.6° | 110.6° |
C5' | C4' | H7 | 110.1° | 110.7° |
C4' | C5' | H8 | 109.5° | 109.5° |
C4' | C5' | H9 | 109.5° | 109.5° |
O5' | C5' | H8 | 109.5° | 109.5° |
O5' | C5' | H9 | 109.5° | 109.4° |
C5' | O5' | H10 | 109.5° | 114.0° |
C6 | N1 | C1' | 131.4° | 129.6° |
N1 | C6 | H5 | 119.6° | 120.2° |
N1 | C1' | O4' | 111.2° | 108.9° |
N1 | C1' | H6 | 111.7° | 112.0° |
C1' | O4' | C4' | 107.7° | 107.1° |
O4' | C1' | H6 | 112.4° | 112.7° |
O4' | C4' | H7 | 111.4° | 110.6° |
H8 | C5' | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | N3 | C5 | 177.8° | 179.9° |
O4 | C4 | N3 | C2 | 177.2° | 179.9° |
O4 | C4 | C5 | C6 | 177.5° | 179.9° |
O4 | C4 | C5 | H4 | 2.5° | 0.0° |
C4 | N3 | C2 | O2 | 174.9° | 179.9° |
C4 | N3 | C2 | N1 | 0.6° | 0.1° |
N3 | C4 | C5 | C6 | 0.2° | 0.2° |
N3 | C4 | C5 | H4 | 179.7° | 179.9° |
C2 | N3 | C4 | C5 | 0.6° | 0.2° |
N3 | C2 | O2 | N1 | 175.8° | 179.9° |
N3 | C2 | O2 | C2' | 174.9° | 179.2° |
N3 | C2 | N1 | C6 | 0.3° | 0.4° |
N3 | C2 | N1 | C1' | 178.1° | 179.5° |
C4 | C5 | C6 | H4 | 180.0° | 179.9° |
C4 | C5 | C6 | N1 | 0.1° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C2 | O2 | C2' | C3' | 121.4° | 112.6° |
C2 | O2 | C2' | C1' | 9.1° | 1.7° |
O2 | C2 | N1 | C6 | 176.0° | 179.7° |
O2 | C2 | N1 | C1' | 5.6° | 0.4° |
C2 | O2 | C2' | H3 | 114.4° | 121.1° |
C2' | O2 | C2 | N1 | 9.3° | 0.9° |
O2 | C2' | C3' | C1' | 113.9° | 110.9° |
O2 | C2' | C3' | H3 | 125.1° | 126.6° |
O2 | C2' | C1' | H3 | 124.3° | 122.9° |
O2 | C2' | C3' | O3' | 156.7° | 109.7° |
O2 | C2' | C3' | C4' | 88.8° | 132.2° |
O2 | C2' | C1' | N1 | 5.5° | 1.8° |
O2 | C2' | C1' | O4' | 111.8° | 113.2° |
O2 | C2' | C3' | H2 | 30.4° | 14.0° |
O2 | C2' | C1' | H6 | 125.4° | 122.7° |
C2 | N1 | C1' | C2' | 0.2° | 1.4° |
C2 | N1 | C6 | C5 | 0.0° | 0.3° |
C2 | N1 | C6 | C1' | 178.0° | 179.9° |
C2 | N1 | C1' | O4' | 113.9° | 112.4° |
C2 | N1 | C6 | H5 | 180.0° | 179.7° |
C2 | N1 | C1' | H6 | 119.7° | 122.4° |
C3' | C2' | C1' | H3 | 120.8° | 122.3° |
C2' | C3' | O3' | C4' | 110.6° | 112.7° |
C2' | C3' | O3' | H2 | 125.4° | 123.8° |
C2' | C3' | C4' | H2 | 119.1° | 118.4° |
C2' | C3' | C4' | C5' | 80.0° | 155.8° |
C3' | C2' | C1' | N1 | 120.4° | 116.6° |
C3' | C2' | C1' | O4' | 3.1° | 1.6° |
C2' | C3' | C4' | O4' | 38.6° | 37.3° |
C2' | C3' | O3' | H1 | 180.0° | 174.2° |
C3' | C2' | C1' | H6 | 119.7° | 122.4° |
C2' | C3' | C4' | H7 | 157.5° | 81.2° |
C1' | C2' | C3' | O3' | 89.4° | 139.4° |
C1' | C2' | C3' | C4' | 25.1° | 21.3° |
C2' | C1' | N1 | C6 | 178.0° | 178.7° |
C2' | C1' | N1 | O4' | 114.1° | 113.7° |
C2' | C1' | N1 | H6 | 119.5° | 121.0° |
C2' | C1' | O4' | H6 | 122.0° | 123.6° |
C2' | C1' | O4' | C4' | 22.3° | 26.2° |
C1' | C2' | C3' | H2 | 144.3° | 97.0° |
C5 | C6 | N1 | H5 | 180.0° | 180.0° |
C5 | C6 | N1 | C1' | 178.0° | 179.6° |
O3' | C3' | C4' | H2 | 125.0° | 123.5° |
O3' | C3' | C4' | C5' | 164.1° | 86.0° |
O3' | C3' | C4' | O4' | 77.3° | 155.4° |
O3' | C3' | C2' | H3 | 31.6° | 17.0° |
O3' | C3' | C4' | H7 | 41.6° | 36.9° |
C3' | C4' | C5' | O4' | 113.9° | 114.1° |
C3' | C4' | C5' | H7 | 122.5° | 123.0° |
C3' | C4' | C5' | O5' | 178.0° | 175.0° |
C3' | C4' | O4' | C1' | 38.4° | 40.1° |
C3' | C4' | O4' | H7 | 118.0° | 118.5° |
C4' | C3' | O3' | H1 | 69.4° | 61.5° |
C4' | C3' | C2' | H3 | 146.1° | 101.1° |
C3' | C4' | C5' | H8 | 62.1° | 55.0° |
C3' | C4' | C5' | H9 | 58.0° | 65.0° |
C4' | C5' | O5' | H8 | 120.0° | 120.0° |
C4' | C5' | O5' | H9 | 120.0° | 120.0° |
C5' | C4' | O4' | C1' | 80.7° | 158.6° |
C5' | C4' | O4' | H7 | 122.8° | 123.0° |
C5' | C4' | C3' | H2 | 39.2° | 37.4° |
C4' | C5' | H8 | H9 | 120.1° | 120.1° |
C4' | C5' | O5' | H10 | 180.0° | 180.0° |
O5' | C5' | C4' | O4' | 64.1° | 70.9° |
O5' | C5' | C4' | H7 | 59.5° | 52.1° |
O5' | C5' | H8 | H9 | 120.1° | 120.0° |
C6 | N1 | C1' | O4' | 68.0° | 67.5° |
N1 | C6 | C5 | H4 | 180.0° | 179.9° |
C6 | N1 | C1' | H6 | 58.5° | 57.8° |
N1 | C1' | O4' | H6 | 126.0° | 124.9° |
N1 | C1' | O4' | C4' | 89.7° | 137.7° |
N1 | C1' | C2' | H3 | 118.8° | 121.1° |
C1' | N1 | C6 | H5 | 2.0° | 0.4° |
O4' | C1' | C2' | H3 | 123.9° | 123.9° |
C1' | O4' | C4' | H7 | 156.5° | 78.4° |
O4' | C4' | C3' | H2 | 157.7° | 81.1° |
C4' | O4' | C1' | H6 | 144.3° | 97.4° |
O4' | C4' | C5' | H8 | 175.9° | 169.1° |
O4' | C4' | C5' | H9 | 55.9° | 49.0° |
H1 | O3' | C3' | H2 | 54.6° | 62.0° |
H2 | C3' | C2' | H3 | 94.8° | 140.6° |
H2 | C3' | C4' | H7 | 83.4° | 160.4° |
H3 | C2' | C1' | H6 | 1.1° | 0.2° |
H4 | C5 | C6 | H5 | 0.0° | 0.1° |
H7 | C4' | C5' | H8 | 60.5° | 67.9° |
H7 | C4' | C5' | H9 | 179.5° | 172.0° |
H8 | C5' | O5' | H10 | 60.0° | 60.0° |
H9 | C5' | O5' | H10 | 60.0° | 60.0° |