M8M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | O2 | sing | 1.46Å | 1.41Å | |
| O2 | C4 | sing | 1.43Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | N2 | sing | 1.47Å | 1.50Å | |
| N2 | C6 | sing | 1.47Å | 1.48Å | |
| N2 | C5' | sing | 1.47Å | 1.50Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.47Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.36Å | |
| C1' | N5 | sing | 1.47Å | 1.57Å | |
| C1' | C2' | sing | 1.55Å | 1.34Å | |
| N5 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| N5 | C7 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C9 | sing | 1.33Å | 1.36Å | Aromatic |
| C9 | N7 | sing | 1.38Å | 1.33Å | |
| C9 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | N6 | sing | 1.35Å | 1.39Å | Aromatic |
| N6 | C7 | doub | 1.30Å | 1.32Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N7 | HN7A | sing | 0.97Å | 1.00Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | O2 | C4 | 110.1° | 114.0° |
| O2 | N1 | HN1 | 109.5° | 111.0° |
| O2 | N1 | HN1A | 109.5° | 111.0° |
| O2 | C4 | C5 | 113.5° | 109.5° |
| O2 | C4 | H4 | 108.2° | 109.5° |
| O2 | C4 | H4A | 107.3° | 109.5° |
| C4 | C5 | N2 | 110.7° | 109.5° |
| C5 | C4 | H4 | 108.2° | 109.5° |
| C5 | C4 | H4A | 107.2° | 109.5° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C4 | C5 | H5A | 108.8° | 109.5° |
| C5 | N2 | C6 | 107.7° | 111.0° |
| C5 | N2 | C5' | 110.9° | 111.0° |
| N2 | C5 | H5 | 109.1° | 109.4° |
| N2 | C5 | H5A | 108.8° | 109.4° |
| C6 | N2 | C5' | 109.3° | 111.0° |
| N2 | C6 | H6 | 109.5° | 109.5° |
| N2 | C6 | H6A | 109.5° | 109.5° |
| N2 | C6 | H6B | 109.5° | 109.5° |
| N2 | C5' | C4' | 112.4° | 109.4° |
| N2 | C5' | H5' | 108.5° | 109.5° |
| N2 | C5' | H5'A | 107.8° | 109.5° |
| C5' | C4' | O4' | 113.5° | 109.9° |
| C5' | C4' | C3' | 114.7° | 109.9° |
| C4' | C5' | H5' | 108.5° | 109.5° |
| C4' | C5' | H5'A | 107.8° | 109.5° |
| C5' | C4' | H4' | 101.4° | 109.9° |
| O4' | C4' | C3' | 104.8° | 107.3° |
| C4' | O4' | C1' | 101.7° | 106.9° |
| O4' | C4' | H4' | 111.9° | 109.9° |
| C4' | C3' | C2' | 100.8° | 104.2° |
| C4' | C3' | O3' | 110.8° | 110.5° |
| C3' | C4' | H4' | 110.6° | 110.0° |
| C4' | C3' | H3' | 114.2° | 110.5° |
| O4' | C1' | N5 | 107.0° | 110.6° |
| O4' | C1' | C2' | 119.2° | 103.5° |
| O4' | C1' | H1' | 106.3° | 110.6° |
| N5 | C1' | C2' | 114.3° | 110.6° |
| C1' | N5 | C11 | 118.8° | 126.3° |
| C1' | N5 | C7 | 136.0° | 126.3° |
| N5 | C1' | H1' | 112.1° | 110.5° |
| C1' | C2' | O2' | 121.9° | 110.9° |
| C1' | C2' | C3' | 100.6° | 102.1° |
| C2' | C1' | H1' | 97.4° | 110.8° |
| C1' | C2' | H2' | 109.5° | 110.9° |
| C11 | N5 | C7 | 105.3° | 107.5° |
| N5 | C11 | N4 | 128.3° | 135.0° |
| N5 | C11 | C12 | 105.5° | 106.0° |
| N5 | C7 | N6 | 114.2° | 110.0° |
| N5 | C7 | C8 | 119.7° | 125.0° |
| N4 | C11 | C12 | 126.1° | 119.1° |
| C11 | N4 | C10 | 111.4° | 120.7° |
| C11 | C12 | C9 | 116.9° | 118.2° |
| C11 | C12 | N6 | 110.9° | 107.2° |
| N4 | C10 | N3 | 129.0° | 122.4° |
| N4 | C10 | H10 | 115.5° | 118.8° |
| C10 | N3 | C9 | 118.4° | 121.2° |
| N3 | C10 | H10 | 115.5° | 118.8° |
| N3 | C9 | N7 | 118.6° | 120.8° |
| N3 | C9 | C12 | 118.2° | 118.4° |
| N7 | C9 | C12 | 123.2° | 120.8° |
| C9 | N7 | HN7 | 109.5° | 120.0° |
| C9 | N7 | HN7A | 109.4° | 120.0° |
| C9 | C12 | N6 | 132.2° | 134.7° |
| C12 | N6 | C7 | 104.1° | 109.4° |
| N6 | C7 | C8 | 126.1° | 125.0° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| O2' | C2' | C3' | 114.6° | 110.9° |
| O2' | C2' | H2' | 93.7° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 109.4° | 110.5° |
| C3' | C2' | H2' | 117.6° | 111.0° |
| C2' | C3' | H3' | 115.4° | 110.5° |
| O3' | C3' | H3' | 106.2° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| HN1 | N1 | HN1A | 109.5° | 111.0° |
| H4 | C4 | H4A | 112.6° | 109.5° |
| H5 | C5 | H5A | 110.4° | 109.4° |
| H6 | C6 | H6A | 109.4° | 109.4° |
| H6 | C6 | H6B | 109.5° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H5' | C5' | H5'A | 111.8° | 109.5° |
| HN7 | N7 | HN7A | 109.5° | 120.0° |
| H8 | C8 | H8A | 109.4° | 109.4° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | O2 | C4 | C5 | 179.8° | 180.0° |
| O2 | N1 | HN1 | HN1A | 120.0° | 123.9° |
| N1 | O2 | C4 | H4 | 60.2° | 60.0° |
| N1 | O2 | C4 | H4A | 61.5° | 60.0° |
| O2 | C4 | C5 | H4 | 120.0° | 120.0° |
| O2 | C4 | C5 | H4A | 118.3° | 120.0° |
| O2 | C4 | C5 | N2 | 166.9° | 64.7° |
| C4 | O2 | N1 | HN1 | 170.2° | 56.1° |
| C4 | O2 | N1 | HN1A | 50.2° | 180.0° |
| O2 | C4 | H4 | H4A | 118.4° | 120.0° |
| O2 | C4 | C5 | H5 | 73.1° | 175.3° |
| O2 | C4 | C5 | H5A | 47.4° | 55.3° |
| C4 | C5 | N2 | H5 | 120.0° | 120.0° |
| C4 | C5 | N2 | H5A | 119.5° | 120.1° |
| C4 | C5 | N2 | C6 | 82.5° | 164.4° |
| C4 | C5 | N2 | C5' | 157.9° | 71.6° |
| C5 | C4 | H4 | H4A | 118.3° | 120.0° |
| C4 | C5 | H5 | H5A | 119.5° | 120.0° |
| C5 | N2 | C6 | C5' | 120.6° | 124.0° |
| C5 | N2 | C5' | C4' | 178.9° | 170.0° |
| N2 | C5 | C4 | H4 | 46.9° | 55.3° |
| N2 | C5 | C4 | H4A | 74.9° | 175.3° |
| N2 | C5 | H5 | H5A | 119.5° | 119.9° |
| C5 | N2 | C6 | H6 | 152.1° | 63.2° |
| C5 | N2 | C6 | H6A | 87.9° | 176.8° |
| C5 | N2 | C6 | H6B | 32.0° | 56.8° |
| C5 | N2 | C5' | H5' | 61.1° | 50.0° |
| C5 | N2 | C5' | H5'A | 60.2° | 70.1° |
| C6 | N2 | C5' | C4' | 60.3° | 66.1° |
| C6 | N2 | C5 | H5 | 157.5° | 75.5° |
| C6 | N2 | C5 | H5A | 37.0° | 44.4° |
| N2 | C6 | H6 | H6A | 120.0° | 120.0° |
| N2 | C6 | H6 | H6B | 120.0° | 120.0° |
| N2 | C6 | H6A | H6B | 120.0° | 120.0° |
| C6 | N2 | C5' | H5' | 179.7° | 174.0° |
| C6 | N2 | C5' | H5'A | 58.5° | 53.9° |
| N2 | C5' | C4' | H5' | 120.0° | 120.0° |
| N2 | C5' | C4' | H5'A | 118.7° | 120.0° |
| N2 | C5' | C4' | O4' | 59.3° | 66.5° |
| N2 | C5' | C4' | C3' | 179.8° | 175.7° |
| C5' | N2 | C5 | H5 | 38.0° | 48.5° |
| C5' | N2 | C5 | H5A | 82.5° | 168.4° |
| C5' | N2 | C6 | H6 | 87.4° | 172.8° |
| C5' | N2 | C6 | H6A | 32.6° | 52.8° |
| C5' | N2 | C6 | H6B | 152.6° | 67.2° |
| N2 | C5' | H5' | H5'A | 118.8° | 120.0° |
| N2 | C5' | C4' | H4' | 61.0° | 54.6° |
| C5' | C4' | O4' | C3' | 126.0° | 119.4° |
| C5' | C4' | O4' | H4' | 114.1° | 121.1° |
| C5' | C4' | C3' | H4' | 114.0° | 121.1° |
| C5' | C4' | O4' | C1' | 105.9° | 145.9° |
| C5' | C4' | C3' | C2' | 91.8° | 121.4° |
| C5' | C4' | C3' | O3' | 152.4° | 119.9° |
| C4' | C5' | H5' | H5'A | 118.8° | 120.0° |
| C5' | C4' | C3' | H3' | 32.5° | 2.8° |
| O4' | C4' | C3' | H4' | 120.8° | 119.5° |
| C4' | O4' | C1' | N5 | 134.7° | 158.6° |
| C4' | O4' | C1' | C2' | 3.0° | 40.1° |
| O4' | C4' | C3' | C2' | 33.3° | 2.0° |
| O4' | C4' | C3' | O3' | 82.4° | 120.7° |
| O4' | C4' | C5' | H5' | 60.8° | 53.5° |
| O4' | C4' | C5' | H5'A | 178.0° | 173.5° |
| C4' | O4' | C1' | H1' | 105.4° | 78.7° |
| O4' | C4' | C3' | H3' | 157.7° | 116.6° |
| C3' | C4' | O4' | C1' | 20.0° | 26.5° |
| C4' | C3' | C2' | C1' | 33.3° | 20.9° |
| C4' | C3' | C2' | O2' | 165.9° | 139.1° |
| C4' | C3' | C2' | O3' | 116.8° | 118.7° |
| C4' | C3' | C2' | H3' | 123.5° | 118.7° |
| C4' | C3' | O3' | H3' | 124.5° | 122.6° |
| C3' | C4' | C5' | H5' | 59.8° | 64.3° |
| C3' | C4' | C5' | H5'A | 61.5° | 55.7° |
| C4' | C3' | C2' | H2' | 85.4° | 97.3° |
| C4' | C3' | O3' | HO3' | 56.9° | 180.0° |
| O4' | C1' | N5 | C2' | 134.2° | 114.1° |
| O4' | C1' | N5 | H1' | 116.1° | 122.8° |
| O4' | C1' | C2' | H1' | 113.3° | 118.6° |
| O4' | C1' | N5 | C11 | 44.6° | 136.4° |
| O4' | C1' | N5 | C7 | 135.4° | 43.3° |
| O4' | C1' | C2' | O2' | 152.3° | 155.2° |
| O4' | C1' | C2' | C3' | 24.3° | 37.0° |
| C1' | O4' | C4' | H4' | 140.0° | 93.0° |
| O4' | C1' | C2' | H2' | 100.2° | 81.2° |
| N5 | C1' | C2' | H1' | 118.3° | 122.9° |
| C1' | N5 | C11 | C7 | 180.0° | 179.7° |
| C1' | N5 | C11 | N4 | 0.2° | 0.1° |
| C1' | N5 | C11 | C12 | 179.8° | 180.0° |
| C1' | N5 | C7 | N6 | 179.8° | 179.8° |
| C1' | N5 | C7 | C8 | 0.2° | 0.0° |
| N5 | C1' | C2' | O2' | 79.4° | 86.3° |
| N5 | C1' | C2' | C3' | 152.7° | 155.5° |
| N5 | C1' | C2' | H2' | 28.2° | 37.3° |
| C2' | C1' | N5 | C11 | 89.6° | 109.5° |
| C2' | C1' | N5 | C7 | 90.4° | 70.8° |
| C1' | C2' | O2' | C3' | 121.5° | 112.7° |
| C1' | C2' | O2' | H2' | 115.8° | 123.6° |
| C1' | C2' | C3' | H2' | 118.8° | 118.2° |
| C1' | C2' | C3' | O3' | 83.4° | 97.8° |
| C1' | C2' | O2' | HO2' | 153.6° | 180.0° |
| C1' | C2' | C3' | H3' | 156.9° | 139.6° |
| N5 | C11 | N4 | C12 | 180.0° | 179.9° |
| N5 | C11 | N4 | C10 | 179.9° | 179.9° |
| N5 | C11 | C12 | C9 | 179.7° | 180.0° |
| N5 | C11 | C12 | N6 | 0.1° | 0.0° |
| C11 | N5 | C7 | N6 | 0.2° | 0.4° |
| C11 | N5 | C7 | C8 | 179.8° | 179.7° |
| C11 | N5 | C1' | H1' | 160.8° | 13.6° |
| C7 | N5 | C11 | N4 | 179.8° | 179.7° |
| C7 | N5 | C11 | C12 | 0.2° | 0.2° |
| N5 | C7 | N6 | C12 | 0.2° | 0.5° |
| N5 | C7 | N6 | C8 | 180.0° | 179.9° |
| C7 | N5 | C1' | H1' | 19.2° | 166.1° |
| N5 | C7 | C8 | H8 | 137.3° | 90.0° |
| N5 | C7 | C8 | H8A | 102.7° | 150.0° |
| N5 | C7 | C8 | H8B | 17.4° | 30.0° |
| C11 | N4 | C10 | N3 | 0.1° | 0.0° |
| N4 | C11 | C12 | C9 | 0.3° | 0.0° |
| N4 | C11 | C12 | N6 | 179.9° | 179.9° |
| C11 | N4 | C10 | H10 | 179.9° | 179.9° |
| C12 | C11 | N4 | C10 | 0.1° | 0.0° |
| C11 | C12 | C9 | N3 | 0.2° | 0.0° |
| C11 | C12 | C9 | N7 | 179.8° | 179.9° |
| C11 | C12 | C9 | N6 | 179.8° | 180.0° |
| C11 | C12 | N6 | C7 | 0.0° | 0.3° |
| N4 | C10 | N3 | H10 | 180.0° | 180.0° |
| N4 | C10 | N3 | C9 | 0.1° | 0.0° |
| C10 | N3 | C9 | N7 | 180.0° | 180.0° |
| C10 | N3 | C9 | C12 | 0.1° | 0.0° |
| N3 | C9 | N7 | C12 | 180.0° | 180.0° |
| N3 | C9 | C12 | N6 | 180.0° | 180.0° |
| C9 | N3 | C10 | H10 | 179.9° | 180.0° |
| N3 | C9 | N7 | HN7 | 30.3° | 0.0° |
| N3 | C9 | N7 | HN7A | 150.3° | 179.9° |
| N7 | C9 | C12 | N6 | 0.0° | 0.1° |
| C9 | N7 | HN7 | HN7A | 120.0° | 179.9° |
| C9 | C12 | N6 | C7 | 179.8° | 179.7° |
| C12 | C9 | N7 | HN7 | 149.7° | 180.0° |
| C12 | C9 | N7 | HN7A | 29.7° | 0.1° |
| C12 | N6 | C7 | C8 | 179.9° | 179.7° |
| N6 | C7 | C8 | H8 | 42.7° | 89.8° |
| N6 | C7 | C8 | H8A | 77.3° | 30.1° |
| N6 | C7 | C8 | H8B | 162.7° | 150.2° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| O2' | C2' | C3' | H2' | 108.7° | 123.6° |
| O2' | C2' | C3' | O3' | 49.1° | 20.4° |
| O2' | C2' | C1' | H1' | 38.9° | 36.7° |
| O2' | C2' | C3' | H3' | 70.6° | 102.3° |
| C2' | C3' | O3' | H3' | 125.2° | 122.6° |
| C2' | C3' | C4' | H4' | 154.2° | 117.5° |
| C3' | C2' | C1' | H1' | 89.0° | 81.5° |
| C3' | C2' | O2' | HO2' | 84.9° | 67.3° |
| C2' | C3' | O3' | HO3' | 53.4° | 65.3° |
| O3' | C3' | C4' | H4' | 38.4° | 1.3° |
| O3' | C3' | C2' | H2' | 157.8° | 144.0° |
| H4 | C4 | C5 | H5 | 166.8° | 64.7° |
| H4 | C4 | C5 | H5A | 72.6° | 175.3° |
| H4A | C4 | C5 | H5 | 45.1° | 55.3° |
| H4A | C4 | C5 | H5A | 165.6° | 64.7° |
| H6 | C6 | H6A | H6B | 120.0° | 119.9° |
| H5' | C5' | C4' | H4' | 179.0° | 174.6° |
| H5'A | C5' | C4' | H4' | 57.8° | 65.4° |
| H4' | C4' | C3' | H3' | 81.5° | 123.9° |
| H1' | C1' | C2' | H2' | 146.5° | 160.2° |
| H2' | C2' | O2' | HO2' | 37.8° | 56.4° |
| H2' | C2' | C3' | H3' | 38.1° | 21.3° |
| H3' | C3' | O3' | HO3' | 178.6° | 57.4° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
