AO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | N1 | sing | 1.47Å | 1.44Å | |
| N1 | C6 | sing | 1.36Å | 1.31Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.33Å | 1.32Å | |
| N3 | C4 | doub | 1.33Å | 1.31Å | |
| C5 | C4 | sing | 1.41Å | 1.38Å | |
| C4 | N4 | sing | 1.38Å | 1.33Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C6 | C5 | doub | 1.35Å | 1.37Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O4' | C1' | sing | 1.44Å | 1.39Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C3' | C2' | sing | 1.55Å | 1.49Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C32 | C30 | sing | 1.42Å | 1.46Å | |
| O31 | C30 | doub | 1.22Å | 1.18Å | |
| C30 | N5' | sing | 1.35Å | 1.33Å | |
| N33 | C32 | sing | 1.41Å | 1.51Å | Aromatic |
| C32 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | N33 | sing | 1.37Å | 1.40Å | Aromatic |
| C34 | N33 | sing | 1.35Å | 1.32Å | Aromatic |
| S37 | C34 | sing | 1.77Å | 1.67Å | Aromatic |
| C34 | N35 | doub | 1.32Å | 1.39Å | Aromatic |
| N35 | C36 | sing | 1.33Å | 1.38Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | S37 | sing | 1.77Å | 1.74Å | Aromatic |
| C38 | C39 | doub | 1.32Å | 1.42Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.39Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| N5' | C5' | sing | 1.46Å | 1.44Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| N5' | HN5' | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1' | N1 | C6 | 121.2° | 119.8° |
| C1' | N1 | C2 | 118.6° | 119.8° |
| N1 | C1' | O4' | 105.1° | 110.6° |
| N1 | C1' | C2' | 115.6° | 110.6° |
| N1 | C1' | H1' | 107.4° | 110.5° |
| C6 | N1 | C2 | 120.1° | 120.4° |
| N1 | C6 | C5 | 120.3° | 119.3° |
| N1 | C6 | H6 | 119.9° | 120.4° |
| N1 | C2 | O2 | 118.6° | 119.5° |
| N1 | C2 | N3 | 118.9° | 121.1° |
| O2 | C2 | N3 | 122.5° | 119.4° |
| C2 | N3 | C4 | 122.5° | 120.7° |
| N3 | C4 | C5 | 119.3° | 119.6° |
| N3 | C4 | N4 | 120.3° | 120.2° |
| C5 | C4 | N4 | 120.4° | 120.2° |
| C4 | C5 | C6 | 119.0° | 118.9° |
| C4 | C5 | H5 | 120.5° | 120.5° |
| C4 | N4 | HN4 | 120.0° | 120.0° |
| C4 | N4 | HN4A | 120.0° | 120.1° |
| HN4 | N4 | HN4A | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.5° | 120.5° |
| C5 | C6 | H6 | 119.9° | 120.3° |
| O4' | C1' | C2' | 105.9° | 103.7° |
| O4' | C1' | H1' | 116.8° | 110.6° |
| C1' | O4' | C4' | 110.3° | 106.9° |
| C2' | C1' | H1' | 106.6° | 110.7° |
| C1' | C2' | C3' | 103.1° | 102.1° |
| C1' | C2' | O2' | 109.6° | 110.9° |
| C1' | C2' | H2' | 113.9° | 111.0° |
| C3' | C2' | O2' | 110.7° | 110.9° |
| C3' | C2' | H2' | 112.8° | 110.9° |
| C2' | C3' | C4' | 105.0° | 104.2° |
| C2' | C3' | O3' | 106.2° | 110.5° |
| C2' | C3' | H3' | 114.9° | 110.5° |
| O2' | C2' | H2' | 106.7° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C4' | C3' | O3' | 111.3° | 110.6° |
| C4' | C3' | H3' | 110.2° | 110.5° |
| C3' | C4' | C5' | 118.6° | 109.9° |
| C3' | C4' | O4' | 106.9° | 107.4° |
| C3' | C4' | H4' | 103.3° | 109.9° |
| O3' | C3' | H3' | 109.1° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C32 | C30 | O31 | 118.2° | 120.0° |
| C32 | C30 | N5' | 121.1° | 120.0° |
| C30 | C32 | N33 | 122.9° | 126.7° |
| C30 | C32 | C36 | 131.8° | 126.7° |
| O31 | C30 | N5' | 120.8° | 120.0° |
| C30 | N5' | C5' | 121.8° | 120.0° |
| C30 | N5' | HN5' | 119.1° | 120.0° |
| N33 | C32 | C36 | 105.3° | 106.6° |
| C32 | N33 | C39 | 139.3° | 138.5° |
| C32 | N33 | C34 | 104.8° | 105.6° |
| C32 | C36 | N35 | 109.8° | 108.0° |
| C32 | C36 | H36 | 125.1° | 126.0° |
| C39 | N33 | C34 | 115.6° | 115.9° |
| N33 | C39 | C38 | 110.6° | 118.6° |
| N33 | C39 | H39 | 124.7° | 120.8° |
| N33 | C34 | S37 | 112.2° | 105.8° |
| N33 | C34 | N35 | 113.2° | 110.3° |
| S37 | C34 | N35 | 134.5° | 143.9° |
| C34 | S37 | C38 | 93.0° | 94.3° |
| C34 | N35 | C36 | 106.8° | 109.6° |
| N35 | C36 | H36 | 125.1° | 126.1° |
| S37 | C38 | C39 | 108.5° | 105.4° |
| S37 | C38 | H38 | 125.8° | 127.3° |
| C39 | C38 | H38 | 125.8° | 127.3° |
| C38 | C39 | H39 | 124.7° | 120.6° |
| C5' | C4' | O4' | 103.3° | 109.9° |
| C5' | C4' | H4' | 106.9° | 110.0° |
| C4' | C5' | N5' | 118.4° | 109.5° |
| C4' | C5' | H5' | 106.6° | 109.4° |
| C4' | C5' | H5'A | 106.6° | 109.5° |
| O4' | C4' | H4' | 118.6° | 109.7° |
| N5' | C5' | H5' | 106.6° | 109.5° |
| N5' | C5' | H5'A | 106.6° | 109.5° |
| C5' | N5' | HN5' | 119.1° | 120.0° |
| H5' | C5' | H5'A | 112.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1' | N1 | C6 | C2 | 177.5° | 179.7° |
| C1' | N1 | C2 | O2 | 1.4° | 0.3° |
| C1' | N1 | C2 | N3 | 178.9° | 179.7° |
| C1' | N1 | C6 | C5 | 179.4° | 179.7° |
| C1' | N1 | C6 | H6 | 0.6° | 0.3° |
| N1 | C1' | O4' | C2' | 122.8° | 118.6° |
| N1 | C1' | O4' | H1' | 118.8° | 122.8° |
| N1 | C1' | C2' | H1' | 119.2° | 122.8° |
| N1 | C1' | C2' | C3' | 145.2° | 155.5° |
| N1 | C1' | C2' | O2' | 96.9° | 86.3° |
| N1 | C1' | C2' | H2' | 22.6° | 37.3° |
| N1 | C1' | O4' | C4' | 151.2° | 158.4° |
| C6 | N1 | C2 | O2 | 178.9° | 180.0° |
| C6 | N1 | C2 | N3 | 1.3° | 0.0° |
| N1 | C6 | C5 | C4 | 1.4° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 178.6° | 180.0° |
| C6 | N1 | C1' | O4' | 62.1° | 128.6° |
| C6 | N1 | C1' | C2' | 54.3° | 117.2° |
| C6 | N1 | C1' | H1' | 173.0° | 5.7° |
| N1 | C2 | O2 | N3 | 179.7° | 179.9° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| C2 | N1 | C6 | C5 | 1.9° | 0.0° |
| C2 | N1 | C6 | H6 | 178.1° | 180.0° |
| C2 | N1 | C1' | O4' | 115.5° | 51.7° |
| C2 | N1 | C1' | C2' | 128.2° | 62.6° |
| C2 | N1 | C1' | H1' | 9.5° | 174.6° |
| O2 | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | N4 | 179.1° | 180.0° |
| N3 | C4 | C5 | N4 | 179.3° | 180.0° |
| N3 | C4 | N4 | HN4 | 0.0° | 0.1° |
| N3 | C4 | N4 | HN4A | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.4° | 0.0° |
| N3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C5 | C4 | N4 | HN4 | 179.3° | 180.0° |
| C5 | C4 | N4 | HN4A | 0.7° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 178.6° | 179.9° |
| C4 | N4 | HN4 | HN4A | 180.0° | 179.9° |
| N4 | C4 | C5 | C6 | 179.6° | 179.9° |
| N4 | C4 | C5 | H5 | 0.4° | 0.0° |
| H5 | C5 | C6 | H6 | 1.4° | 0.0° |
| O4' | C1' | C2' | H1' | 125.0° | 118.6° |
| O4' | C1' | C2' | C3' | 29.4° | 37.0° |
| O4' | C1' | C2' | O2' | 147.3° | 155.1° |
| O4' | C1' | C2' | H2' | 93.3° | 81.3° |
| C1' | O4' | C4' | C3' | 15.4° | 26.3° |
| C1' | O4' | C4' | C5' | 141.2° | 145.8° |
| C1' | O4' | C4' | H4' | 100.7° | 93.2° |
| C1' | C2' | C3' | O2' | 117.1° | 118.2° |
| C1' | C2' | C3' | H2' | 123.4° | 118.3° |
| C1' | C2' | O2' | H2' | 123.8° | 123.7° |
| C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 19.7° | 20.9° |
| C1' | C2' | C3' | O3' | 98.3° | 97.9° |
| C1' | C2' | C3' | H3' | 141.0° | 139.6° |
| C2' | C1' | O4' | C4' | 28.5° | 39.9° |
| H1' | C1' | C2' | C3' | 95.6° | 81.7° |
| H1' | C1' | C2' | O2' | 22.3° | 36.5° |
| H1' | C1' | C2' | H2' | 141.8° | 160.1° |
| H1' | C1' | O4' | C4' | 89.9° | 78.8° |
| C3' | C2' | O2' | H2' | 123.1° | 123.6° |
| C3' | C2' | O2' | HO2' | 66.9° | 67.3° |
| C2' | C3' | C4' | O3' | 114.5° | 118.8° |
| C2' | C3' | C4' | H3' | 124.3° | 118.7° |
| C2' | C3' | O3' | H3' | 124.4° | 122.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | C5' | 112.1° | 121.4° |
| C2' | C3' | C4' | O4' | 4.0° | 1.9° |
| C2' | C3' | C4' | H4' | 129.9° | 117.4° |
| O2' | C2' | C3' | C4' | 136.8° | 139.1° |
| O2' | C2' | C3' | O3' | 18.8° | 20.2° |
| O2' | C2' | C3' | H3' | 101.9° | 102.2° |
| H2' | C2' | O2' | HO2' | 56.2° | 56.4° |
| H2' | C2' | C3' | C4' | 103.6° | 97.4° |
| H2' | C2' | C3' | O3' | 138.4° | 143.8° |
| H2' | C2' | C3' | H3' | 17.7° | 21.3° |
| C4' | C3' | O3' | H3' | 121.8° | 122.6° |
| C4' | C3' | O3' | HO3' | 66.3° | 176.2° |
| C3' | C4' | C5' | O4' | 118.0° | 118.0° |
| C3' | C4' | C5' | H4' | 116.2° | 121.1° |
| C3' | C4' | O4' | H4' | 116.1° | 119.4° |
| C3' | C4' | C5' | N5' | 30.9° | 175.0° |
| C3' | C4' | C5' | H5' | 89.1° | 55.0° |
| C3' | C4' | C5' | H5'A | 150.9° | 64.9° |
| O3' | C3' | C4' | C5' | 133.4° | 119.8° |
| O3' | C3' | C4' | O4' | 110.5° | 120.7° |
| O3' | C3' | C4' | H4' | 15.4° | 1.3° |
| H3' | C3' | O3' | HO3' | 55.6° | 61.2° |
| H3' | C3' | C4' | C5' | 12.3° | 2.7° |
| H3' | C3' | C4' | O4' | 128.3° | 116.8° |
| H3' | C3' | C4' | H4' | 105.8° | 123.9° |
| C32 | C30 | O31 | N5' | 178.9° | 179.9° |
| C30 | C32 | N33 | C36 | 179.6° | 179.7° |
| C30 | C32 | N33 | C39 | 4.9° | 0.1° |
| C30 | C32 | N33 | C34 | 178.2° | 179.9° |
| C30 | C32 | C36 | N35 | 179.0° | 179.9° |
| C30 | C32 | C36 | H36 | 1.0° | 0.1° |
| C32 | C30 | N5' | C5' | 161.2° | 174.9° |
| C32 | C30 | N5' | HN5' | 18.8° | 5.1° |
| O31 | C30 | C32 | N33 | 4.0° | 174.2° |
| O31 | C30 | C32 | C36 | 176.5° | 5.4° |
| O31 | C30 | N5' | C5' | 17.7° | 5.0° |
| O31 | C30 | N5' | HN5' | 162.3° | 175.0° |
| N5' | C30 | C32 | N33 | 177.1° | 5.9° |
| N5' | C30 | C32 | C36 | 2.4° | 174.5° |
| C30 | N5' | C5' | C4' | 95.1° | 180.0° |
| C30 | N5' | C5' | HN5' | 180.0° | 180.0° |
| C30 | N5' | C5' | H5' | 144.9° | 60.0° |
| C30 | N5' | C5' | H5'A | 24.9° | 60.0° |
| C32 | N33 | C39 | C34 | 172.8° | 180.0° |
| C32 | N33 | C34 | S37 | 179.0° | 180.0° |
| C32 | N33 | C34 | N35 | 2.3° | 0.0° |
| N33 | C32 | C36 | N35 | 1.4° | 0.4° |
| N33 | C32 | C36 | H36 | 178.6° | 179.8° |
| C32 | N33 | C39 | C38 | 176.1° | 180.0° |
| C32 | N33 | C39 | H39 | 3.9° | 0.0° |
| C36 | C32 | N33 | C39 | 175.5° | 179.8° |
| C36 | C32 | N33 | C34 | 2.2° | 0.3° |
| C32 | C36 | N35 | C34 | 0.1° | 0.4° |
| C32 | C36 | N35 | H36 | 180.0° | 179.8° |
| C39 | N33 | C34 | S37 | 3.8° | 0.0° |
| C39 | N33 | C34 | N35 | 177.4° | 180.0° |
| N33 | C39 | C38 | S37 | 1.3° | 0.0° |
| N33 | C39 | C38 | H39 | 180.0° | 180.0° |
| N33 | C39 | C38 | H38 | 178.6° | 180.0° |
| N33 | C34 | S37 | N35 | 178.4° | 180.0° |
| N33 | C34 | N35 | C36 | 1.5° | 0.3° |
| N33 | C34 | S37 | C38 | 2.5° | 0.0° |
| C34 | N33 | C39 | C38 | 3.3° | 0.0° |
| C34 | N33 | C39 | H39 | 176.7° | 180.0° |
| S37 | C34 | N35 | C36 | 179.9° | 179.8° |
| C34 | S37 | C38 | C39 | 0.6° | 0.0° |
| C34 | S37 | C38 | H38 | 179.4° | 180.0° |
| C34 | N35 | C36 | H36 | 179.9° | 179.8° |
| N35 | C34 | S37 | C38 | 179.2° | 180.0° |
| S37 | C38 | C39 | H38 | 180.0° | 180.0° |
| S37 | C38 | C39 | H39 | 178.6° | 180.0° |
| H38 | C38 | C39 | H39 | 1.4° | 0.0° |
| C5' | C4' | O4' | H4' | 118.0° | 121.1° |
| C4' | C5' | N5' | H5' | 120.0° | 119.9° |
| C4' | C5' | N5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 116.3° | 120.0° |
| C4' | C5' | N5' | HN5' | 84.9° | 0.0° |
| O4' | C4' | C5' | N5' | 148.9° | 67.0° |
| O4' | C4' | C5' | H5' | 28.9° | 173.0° |
| O4' | C4' | C5' | H5'A | 91.1° | 53.0° |
| H4' | C4' | C5' | N5' | 85.2° | 53.9° |
| H4' | C4' | C5' | H5' | 154.8° | 66.1° |
| H4' | C4' | C5' | H5'A | 34.8° | 173.9° |
| N5' | C5' | H5' | H5'A | 116.3° | 120.0° |
| H5' | C5' | N5' | HN5' | 35.1° | 120.0° |
| H5'A | C5' | N5' | HN5' | 155.1° | 120.0° |
