AHX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | CA | sing | 1.47Å | 1.44Å | |
| N10 | HN11 | sing | 1.01Å | 1.02Å | |
| N10 | HN12 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | C9 | sing | 1.51Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | OG | sing | 1.43Å | 1.44Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| OG | HOG | sing | 0.97Å | 0.95Å | |
| C9 | O9 | doub | 1.21Å | 1.24Å | |
| C9 | N8 | sing | 1.35Å | 1.31Å | |
| N8 | O3A | sing | 1.42Å | 1.38Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| PA | O1A | doub | 1.48Å | 1.47Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.57Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N10 | HN11 | 109.4° | 106.7° |
| CA | N10 | HN12 | 112.3° | 106.7° |
| N10 | CA | CB | 109.4° | 109.5° |
| N10 | CA | C9 | 98.2° | 109.5° |
| N10 | CA | HA | 117.0° | 109.4° |
| HN11 | N10 | HN12 | 112.2° | 106.7° |
| CB | CA | C9 | 110.9° | 109.5° |
| CB | CA | HA | 105.6° | 109.4° |
| CA | CB | OG | 105.8° | 109.5° |
| CA | CB | HB1 | 113.6° | 109.4° |
| CA | CB | HB2 | 113.6° | 109.4° |
| C9 | CA | HA | 115.7° | 109.5° |
| CA | C9 | O9 | 119.8° | 120.0° |
| CA | C9 | N8 | 117.1° | 120.0° |
| OG | CB | HB1 | 113.6° | 109.5° |
| OG | CB | HB2 | 113.6° | 109.6° |
| CB | OG | HOG | 105.8° | 106.7° |
| HB1 | CB | HB2 | 97.0° | 109.4° |
| O9 | C9 | N8 | 123.0° | 120.0° |
| C9 | N8 | O3A | 114.9° | 120.0° |
| C9 | N8 | HN8 | 120.2° | 120.0° |
| O3A | N8 | HN8 | 124.9° | 120.0° |
| N8 | O3A | PA | 113.3° | 106.9° |
| O1A | PA | O2A | 119.1° | 109.5° |
| O1A | PA | O3A | 105.1° | 109.5° |
| O1A | PA | O5' | 110.7° | 109.4° |
| O2A | PA | O3A | 108.7° | 109.4° |
| O2A | PA | O5' | 105.6° | 109.5° |
| PA | O2A | HOA2 | 119.1° | 106.8° |
| O3A | PA | O5' | 107.2° | 109.5° |
| PA | O5' | C5' | 121.0° | 106.9° |
| O5' | C5' | C4' | 115.2° | 109.5° |
| O5' | C5' | H5'1 | 110.1° | 109.4° |
| O5' | C5' | H5'2 | 110.1° | 109.5° |
| C4' | C5' | H5'1 | 110.1° | 109.5° |
| C4' | C5' | H5'2 | 110.1° | 109.5° |
| C5' | C4' | O4' | 115.2° | 109.9° |
| C5' | C4' | C3' | 110.2° | 109.9° |
| C5' | C4' | H4' | 104.8° | 109.8° |
| H5'1 | C5' | H5'2 | 100.2° | 109.4° |
| O4' | C4' | C3' | 108.7° | 107.4° |
| O4' | C4' | H4' | 106.3° | 109.9° |
| C4' | O4' | C1' | 105.1° | 107.0° |
| C3' | C4' | H4' | 111.7° | 109.9° |
| C4' | C3' | O3' | 111.3° | 110.8° |
| C4' | C3' | C2' | 101.3° | 104.1° |
| C4' | C3' | H3' | 114.4° | 110.5° |
| O4' | C1' | C2' | 109.2° | 103.5° |
| O4' | C1' | N9 | 110.6° | 110.7° |
| O4' | C1' | H1' | 109.5° | 110.6° |
| O3' | C3' | C2' | 111.9° | 110.5° |
| O3' | C3' | H3' | 104.4° | 110.4° |
| C3' | O3' | HO3' | 111.2° | 106.9° |
| C2' | C3' | H3' | 113.8° | 110.5° |
| C3' | C2' | O2' | 109.2° | 110.9° |
| C3' | C2' | C1' | 100.8° | 102.1° |
| C3' | C2' | H2' | 114.1° | 111.0° |
| O2' | C2' | C1' | 106.3° | 110.9° |
| O2' | C2' | H2' | 109.2° | 110.8° |
| C2' | O2' | HO2' | 109.1° | 106.8° |
| C1' | C2' | H2' | 116.6° | 110.9° |
| C2' | C1' | N9 | 111.0° | 110.7° |
| C2' | C1' | H1' | 109.0° | 110.6° |
| N9 | C1' | H1' | 107.5° | 110.6° |
| C1' | N9 | C8 | 129.7° | 126.3° |
| C1' | N9 | C4 | 123.2° | 126.3° |
| C8 | N9 | C4 | 106.0° | 107.4° |
| N9 | C8 | N7 | 112.8° | 109.9° |
| N9 | C8 | H8 | 126.0° | 125.0° |
| N9 | C4 | C5 | 105.9° | 106.0° |
| N9 | C4 | N3 | 126.7° | 135.0° |
| N7 | C8 | H8 | 121.3° | 125.0° |
| C8 | N7 | C5 | 104.7° | 109.5° |
| N7 | C5 | C6 | 132.6° | 134.7° |
| N7 | C5 | C4 | 110.4° | 107.1° |
| C6 | C5 | C4 | 116.7° | 118.2° |
| C5 | C6 | N6 | 123.2° | 120.8° |
| C5 | C6 | N1 | 116.8° | 118.4° |
| C5 | C4 | N3 | 127.4° | 119.0° |
| N6 | C6 | N1 | 120.0° | 120.8° |
| C6 | N6 | HN61 | 123.2° | 119.9° |
| C6 | N6 | HN62 | 107.4° | 120.0° |
| C6 | N1 | C2 | 120.2° | 121.2° |
| HN61 | N6 | HN62 | 107.3° | 120.0° |
| N1 | C2 | N3 | 129.5° | 122.4° |
| N1 | C2 | H2 | 115.7° | 118.8° |
| N3 | C2 | H2 | 114.8° | 118.8° |
| C2 | N3 | C4 | 108.7° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N10 | HN11 | HN12 | 125.3° | 113.8° |
| N10 | CA | CB | C9 | 107.2° | 120.1° |
| N10 | CA | CB | HA | 126.8° | 119.9° |
| N10 | CA | C9 | HA | 125.3° | 119.9° |
| N10 | CA | CB | OG | 51.2° | 59.9° |
| N10 | CA | CB | HB1 | 176.5° | 60.1° |
| N10 | CA | CB | HB2 | 74.0° | 180.0° |
| N10 | CA | C9 | O9 | 25.1° | 30.0° |
| N10 | CA | C9 | N8 | 150.9° | 150.0° |
| HN11 | N10 | CA | CB | 180.0° | 53.7° |
| HN11 | N10 | CA | C9 | 64.3° | 173.8° |
| HN11 | N10 | CA | HA | 60.0° | 66.2° |
| HN12 | N10 | CA | CB | 54.7° | 60.0° |
| HN12 | N10 | CA | C9 | 170.4° | 60.1° |
| HN12 | N10 | CA | HA | 65.3° | 180.0° |
| CB | CA | C9 | HA | 120.2° | 120.0° |
| CA | CB | OG | HB1 | 125.2° | 119.9° |
| CA | CB | OG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 119.5° | 119.9° |
| CA | CB | OG | HOG | 180.0° | 179.9° |
| CB | CA | C9 | O9 | 89.3° | 90.0° |
| CB | CA | C9 | N8 | 94.6° | 90.0° |
| C9 | CA | CB | OG | 56.0° | 180.0° |
| C9 | CA | CB | HB1 | 69.3° | 60.0° |
| C9 | CA | CB | HB2 | 178.8° | 59.9° |
| CA | C9 | O9 | N8 | 175.8° | 180.0° |
| CA | C9 | N8 | O3A | 179.4° | 180.0° |
| CA | C9 | N8 | HN8 | 0.6° | 0.0° |
| HA | CA | CB | OG | 178.0° | 60.0° |
| HA | CA | CB | HB1 | 56.8° | 180.0° |
| HA | CA | CB | HB2 | 52.8° | 60.1° |
| HA | CA | C9 | O9 | 150.4° | 150.0° |
| HA | CA | C9 | N8 | 25.6° | 30.1° |
| OG | CB | HB1 | HB2 | 119.5° | 120.1° |
| HB1 | CB | OG | HOG | 54.7° | 60.0° |
| HB2 | CB | OG | HOG | 54.8° | 60.0° |
| O9 | C9 | N8 | O3A | 3.4° | 0.0° |
| O9 | C9 | N8 | HN8 | 176.6° | 180.0° |
| C9 | N8 | O3A | HN8 | 180.0° | 180.0° |
| C9 | N8 | O3A | PA | 112.2° | 180.0° |
| N8 | O3A | PA | O1A | 150.9° | 60.0° |
| N8 | O3A | PA | O2A | 22.3° | 60.0° |
| N8 | O3A | PA | O5' | 91.3° | 180.0° |
| HN8 | N8 | O3A | PA | 67.8° | 0.0° |
| O1A | PA | O2A | O3A | 120.2° | 120.0° |
| O1A | PA | O2A | O5' | 125.1° | 120.0° |
| O1A | PA | O3A | O5' | 117.8° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5' | C5' | 152.0° | 60.0° |
| O2A | PA | O3A | O5' | 113.7° | 120.0° |
| O2A | PA | O5' | C5' | 21.8° | 60.0° |
| O3A | PA | O2A | HOA2 | 59.9° | 60.1° |
| O3A | PA | O5' | C5' | 94.0° | 180.0° |
| O5' | PA | O2A | HOA2 | 54.8° | 60.0° |
| PA | O5' | C5' | C4' | 145.3° | 180.0° |
| PA | O5' | C5' | H5'1 | 20.0° | 60.0° |
| PA | O5' | C5' | H5'2 | 89.5° | 59.9° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 115.9° | 120.0° |
| O5' | C5' | C4' | O4' | 56.2° | 61.7° |
| O5' | C5' | C4' | C3' | 67.2° | 179.7° |
| O5' | C5' | C4' | H4' | 172.6° | 59.3° |
| C4' | C5' | H5'1 | H5'2 | 116.0° | 120.0° |
| C5' | C4' | O4' | C3' | 124.2° | 119.5° |
| C5' | C4' | O4' | H4' | 115.5° | 121.0° |
| C5' | C4' | C3' | H4' | 116.0° | 121.0° |
| C5' | C4' | O4' | C1' | 136.5° | 145.9° |
| C5' | C4' | C3' | O3' | 81.6° | 119.9° |
| C5' | C4' | C3' | C2' | 159.2° | 121.4° |
| C5' | C4' | C3' | H3' | 36.4° | 2.8° |
| H5'1 | C5' | C4' | O4' | 178.5° | 58.3° |
| H5'1 | C5' | C4' | C3' | 58.1° | 59.7° |
| H5'1 | C5' | C4' | H4' | 62.2° | 179.3° |
| H5'2 | C5' | C4' | O4' | 69.0° | 178.3° |
| H5'2 | C5' | C4' | C3' | 167.6° | 60.3° |
| H5'2 | C5' | C4' | H4' | 47.4° | 60.8° |
| O4' | C4' | C3' | H4' | 116.9° | 119.5° |
| O4' | C4' | C3' | O3' | 151.3° | 120.7° |
| O4' | C4' | C3' | C2' | 32.1° | 1.9° |
| O4' | C4' | C3' | H3' | 90.7° | 116.7° |
| C4' | O4' | C1' | C2' | 12.7° | 40.0° |
| C4' | O4' | C1' | N9 | 109.7° | 158.7° |
| C4' | O4' | C1' | H1' | 132.0° | 78.4° |
| C3' | C4' | O4' | C1' | 12.3° | 26.4° |
| C4' | C3' | O3' | C2' | 112.6° | 114.8° |
| C4' | C3' | O3' | H3' | 123.9° | 122.7° |
| C4' | C3' | C2' | H3' | 123.3° | 118.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
| C4' | C3' | C2' | O2' | 74.6° | 139.2° |
| C4' | C3' | C2' | C1' | 37.1° | 21.0° |
| C4' | C3' | C2' | H2' | 162.9° | 97.2° |
| H4' | C4' | O4' | C1' | 108.0° | 93.1° |
| H4' | C4' | C3' | O3' | 34.3° | 1.1° |
| H4' | C4' | C3' | C2' | 84.8° | 117.6° |
| H4' | C4' | C3' | H3' | 152.3° | 123.8° |
| O4' | C1' | C2' | C3' | 32.3° | 37.1° |
| O4' | C1' | C2' | O2' | 81.6° | 155.2° |
| O4' | C1' | C2' | N9 | 122.2° | 118.6° |
| O4' | C1' | C2' | H1' | 119.5° | 118.4° |
| O4' | C1' | C2' | H2' | 156.4° | 81.2° |
| O4' | C1' | N9 | H1' | 119.5° | 122.9° |
| O4' | C1' | N9 | C8 | 28.4° | 28.5° |
| O4' | C1' | N9 | C4 | 137.6° | 151.7° |
| O3' | C3' | C2' | H3' | 118.0° | 122.4° |
| O3' | C3' | C2' | O2' | 44.1° | 20.2° |
| O3' | C3' | C2' | C1' | 155.7° | 98.0° |
| O3' | C3' | C2' | H2' | 78.5° | 143.8° |
| C2' | C3' | O3' | HO3' | 67.4° | 61.4° |
| C3' | C2' | O2' | C1' | 107.9° | 112.7° |
| C3' | C2' | O2' | H2' | 125.4° | 123.7° |
| C3' | C2' | C1' | H2' | 124.1° | 118.3° |
| C3' | C2' | O2' | HO2' | 180.0° | 67.3° |
| C3' | C2' | C1' | N9 | 89.9° | 155.7° |
| C3' | C2' | C1' | H1' | 151.8° | 81.4° |
| H3' | C3' | O3' | HO3' | 56.1° | 61.0° |
| H3' | C3' | C2' | O2' | 162.1° | 102.3° |
| H3' | C3' | C2' | C1' | 86.2° | 139.6° |
| H3' | C3' | C2' | H2' | 39.6° | 21.4° |
| O2' | C2' | C1' | H2' | 122.1° | 123.6° |
| O2' | C2' | C1' | N9 | 156.3° | 86.2° |
| O2' | C2' | C1' | H1' | 38.0° | 36.8° |
| C1' | C2' | O2' | HO2' | 72.0° | 180.0° |
| C2' | C1' | N9 | H1' | 119.2° | 122.9° |
| C2' | C1' | N9 | C8 | 92.9° | 85.7° |
| C2' | C1' | N9 | C4 | 101.1° | 94.1° |
| H2' | C2' | O2' | HO2' | 54.6° | 56.4° |
| H2' | C2' | C1' | N9 | 34.2° | 37.4° |
| H2' | C2' | C1' | H1' | 84.1° | 160.4° |
| C1' | N9 | C8 | C4 | 167.8° | 179.8° |
| C1' | N9 | C8 | N7 | 171.2° | 180.0° |
| C1' | N9 | C8 | H8 | 8.8° | 0.1° |
| C1' | N9 | C4 | C5 | 173.7° | 179.8° |
| C1' | N9 | C4 | N3 | 4.1° | 0.7° |
| H1' | C1' | N9 | C8 | 147.9° | 151.4° |
| H1' | C1' | N9 | C4 | 18.1° | 28.8° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.4° | 0.1° |
| C8 | N9 | C4 | C5 | 4.9° | 0.4° |
| C8 | N9 | C4 | N3 | 173.0° | 179.5° |
| C4 | N9 | C8 | N7 | 3.4° | 0.2° |
| C4 | N9 | C8 | H8 | 176.6° | 179.8° |
| N9 | C4 | C5 | N7 | 4.9° | 0.4° |
| N9 | C4 | C5 | C6 | 179.2° | 179.9° |
| N9 | C4 | C5 | N3 | 177.8° | 179.3° |
| N9 | C4 | N3 | C2 | 175.3° | 179.6° |
| C8 | N7 | C5 | C6 | 175.9° | 180.0° |
| C8 | N7 | C5 | C4 | 2.9° | 0.3° |
| H8 | C8 | N7 | C5 | 179.6° | 180.0° |
| N7 | C5 | C6 | C4 | 172.7° | 179.6° |
| N7 | C5 | C6 | N6 | 1.7° | 0.0° |
| N7 | C5 | C6 | N1 | 176.9° | 179.9° |
| N7 | C5 | C4 | N3 | 172.9° | 179.7° |
| C5 | C6 | N6 | N1 | 178.6° | 180.0° |
| C5 | C6 | N6 | HN61 | 180.0° | 179.9° |
| C5 | C6 | N6 | HN62 | 54.8° | 0.0° |
| C5 | C6 | N1 | C2 | 3.1° | 0.0° |
| C6 | C5 | C4 | N3 | 1.4° | 0.6° |
| C4 | C5 | C6 | N6 | 174.5° | 179.7° |
| C4 | C5 | C6 | N1 | 4.2° | 0.3° |
| C5 | C4 | N3 | C2 | 7.3° | 0.6° |
| C6 | N6 | HN61 | HN62 | 125.3° | 179.9° |
| N6 | C6 | N1 | C2 | 175.6° | 180.0° |
| N1 | C6 | N6 | HN61 | 1.3° | 0.1° |
| N1 | C6 | N6 | HN62 | 126.6° | 180.0° |
| C6 | N1 | C2 | N3 | 4.4° | 0.0° |
| C6 | N1 | C2 | H2 | 175.7° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 9.1° | 0.3° |
| H2 | C2 | N3 | C4 | 171.0° | 179.8° |
