5XO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C26 | doub | 1.21Å | 1.25Å | |
| O28 | C26 | sing | 1.34Å | 1.25Å | |
| C26 | C25 | sing | 1.51Å | 1.54Å | |
| C25 | N29 | sing | 1.47Å | 1.49Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C1 | sing | 1.51Å | 1.53Å | |
| O23 | C5 | doub | 1.22Å | 1.25Å | |
| C1 | C5 | sing | 1.41Å | 1.42Å | |
| C1 | C2 | doub | 1.37Å | 1.34Å | |
| C5 | N4 | sing | 1.35Å | 1.35Å | |
| N10 | N9 | sing | 1.29Å | 1.36Å | Aromatic |
| N10 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | N9 | sing | 1.47Å | 1.44Å | |
| C11 | C15 | sing | 1.51Å | 1.52Å | |
| N9 | N8 | sing | 1.29Å | 1.35Å | Aromatic |
| C2 | C6 | sing | 1.48Å | 1.45Å | |
| C2 | O3 | sing | 1.34Å | 1.36Å | |
| C16 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.34Å | 1.36Å | Aromatic |
| N4 | O3 | sing | 1.21Å | 1.49Å | |
| C17 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| N8 | N7 | doub | 1.29Å | 1.29Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.51Å | 1.52Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| O28 | H5 | sing | 0.97Å | 0.95Å | |
| N29 | H292 | sing | 1.01Å | 1.00Å | |
| N29 | H291 | sing | 1.01Å | 1.00Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C26 | O28 | 125.2° | 120.0° |
| O27 | C26 | C25 | 118.1° | 120.0° |
| O28 | C26 | C25 | 116.7° | 120.0° |
| C26 | O28 | H5 | 109.5° | 117.1° |
| C26 | C25 | N29 | 108.2° | 109.5° |
| C26 | C25 | C24 | 113.4° | 109.5° |
| C26 | C25 | H25 | 106.4° | 109.5° |
| N29 | C25 | C24 | 115.1° | 109.5° |
| N29 | C25 | H25 | 106.9° | 109.5° |
| C25 | N29 | H292 | 109.5° | 111.0° |
| C25 | N29 | H291 | 109.5° | 111.0° |
| C25 | C24 | C1 | 115.1° | 109.5° |
| C25 | C24 | H241 | 108.0° | 109.5° |
| C25 | C24 | H242 | 108.1° | 109.4° |
| C24 | C25 | H25 | 106.3° | 109.4° |
| C24 | C1 | C5 | 119.9° | 127.9° |
| C24 | C1 | C2 | 131.5° | 128.0° |
| C1 | C24 | H241 | 108.1° | 109.5° |
| C1 | C24 | H242 | 108.1° | 109.5° |
| O23 | C5 | C1 | 121.2° | 127.0° |
| O23 | C5 | N4 | 131.9° | 127.1° |
| C5 | C1 | C2 | 108.6° | 104.1° |
| C1 | C5 | N4 | 106.9° | 105.9° |
| C1 | C2 | C6 | 126.8° | 126.4° |
| C1 | C2 | O3 | 112.4° | 107.1° |
| C5 | N4 | O3 | 108.5° | 110.9° |
| C5 | N4 | H4 | 125.8° | 124.5° |
| N9 | N10 | C6 | 95.7° | 107.7° |
| N10 | N9 | C11 | 120.8° | 125.3° |
| N10 | N9 | N8 | 116.5° | 109.4° |
| N10 | C6 | C2 | 123.4° | 126.6° |
| N10 | C6 | N7 | 117.7° | 106.6° |
| N9 | C11 | C15 | 113.0° | 109.5° |
| C11 | N9 | N8 | 122.7° | 125.3° |
| N9 | C11 | H111 | 108.6° | 109.5° |
| N9 | C11 | H112 | 108.6° | 109.5° |
| C11 | C15 | C16 | 120.6° | 120.0° |
| C11 | C15 | C14 | 117.8° | 120.0° |
| C15 | C11 | H111 | 108.6° | 109.5° |
| C15 | C11 | H112 | 108.6° | 109.4° |
| N9 | N8 | N7 | 105.7° | 109.0° |
| C6 | C2 | O3 | 120.7° | 126.5° |
| C2 | C6 | N7 | 118.8° | 126.7° |
| C2 | O3 | N4 | 103.6° | 112.0° |
| C15 | C16 | C17 | 118.8° | 120.0° |
| C16 | C15 | C14 | 121.5° | 120.0° |
| C15 | C16 | H16 | 120.6° | 120.0° |
| C16 | C17 | C12 | 119.5° | 120.0° |
| C17 | C16 | H16 | 120.6° | 120.0° |
| C16 | C17 | H17 | 120.3° | 120.0° |
| C15 | C14 | C13 | 119.6° | 120.0° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C6 | N7 | N8 | 104.4° | 107.2° |
| O3 | N4 | H4 | 125.7° | 124.6° |
| C17 | C12 | C13 | 121.2° | 120.0° |
| C17 | C12 | H12 | 119.4° | 119.9° |
| C12 | C17 | H17 | 120.3° | 120.0° |
| C14 | C13 | C12 | 119.4° | 120.0° |
| C14 | C13 | C18 | 119.9° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C12 | C13 | C18 | 120.8° | 120.0° |
| C13 | C12 | H12 | 119.4° | 120.0° |
| C13 | C18 | H1 | 109.5° | 109.5° |
| C13 | C18 | H3 | 109.4° | 109.4° |
| C13 | C18 | H2 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H292 | N29 | H291 | 109.5° | 110.9° |
| H1 | C18 | H3 | 109.5° | 109.5° |
| H1 | C18 | H2 | 109.5° | 109.5° |
| H3 | C18 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C26 | O28 | C25 | 179.1° | 180.0° |
| O27 | C26 | C25 | N29 | 8.4° | 20.0° |
| O27 | C26 | C25 | C24 | 137.3° | 100.0° |
| O27 | C26 | C25 | H25 | 106.2° | 140.0° |
| O27 | C26 | O28 | H5 | 0.0° | 0.0° |
| O28 | C26 | C25 | N29 | 172.4° | 160.0° |
| O28 | C26 | C25 | C24 | 43.5° | 80.0° |
| O28 | C26 | C25 | H25 | 73.0° | 40.0° |
| C26 | C25 | N29 | C24 | 128.0° | 120.0° |
| C26 | C25 | N29 | H25 | 114.2° | 120.1° |
| C26 | C25 | C24 | H25 | 116.6° | 120.0° |
| C26 | C25 | C24 | C1 | 138.8° | 175.0° |
| C26 | C25 | C24 | H241 | 100.4° | 55.0° |
| C26 | C25 | C24 | H242 | 17.9° | 65.0° |
| C25 | C26 | O28 | H5 | 179.1° | 180.0° |
| C26 | C25 | N29 | H292 | 180.0° | 63.9° |
| C26 | C25 | N29 | H291 | 60.0° | 60.0° |
| N29 | C25 | C24 | H25 | 118.1° | 120.0° |
| N29 | C25 | C24 | C1 | 95.9° | 64.9° |
| N29 | C25 | C24 | H241 | 24.9° | 175.0° |
| N29 | C25 | C24 | H242 | 143.2° | 55.0° |
| C25 | N29 | H292 | H291 | 120.0° | 123.9° |
| C25 | C24 | C1 | H241 | 120.8° | 120.0° |
| C25 | C24 | C1 | H242 | 120.8° | 119.9° |
| C25 | C24 | C1 | C5 | 86.5° | 85.1° |
| C25 | C24 | C1 | C2 | 92.9° | 95.3° |
| C25 | C24 | H241 | H242 | 117.4° | 119.9° |
| C24 | C25 | N29 | H292 | 52.0° | 176.1° |
| C24 | C25 | N29 | H291 | 172.0° | 60.0° |
| C24 | C1 | C5 | O23 | 0.0° | 0.3° |
| C24 | C1 | C5 | C2 | 179.5° | 179.7° |
| C24 | C1 | C5 | N4 | 179.8° | 179.7° |
| C24 | C1 | C2 | C6 | 2.3° | 0.2° |
| C24 | C1 | C2 | O3 | 178.8° | 179.7° |
| C1 | C24 | H241 | H242 | 117.4° | 120.1° |
| C1 | C24 | C25 | H25 | 22.2° | 55.0° |
| O23 | C5 | C1 | N4 | 179.8° | 180.0° |
| O23 | C5 | C1 | C2 | 179.5° | 180.0° |
| O23 | C5 | N4 | O3 | 178.8° | 180.0° |
| O23 | C5 | N4 | H4 | 1.2° | 0.1° |
| C5 | C1 | C2 | C6 | 177.1° | 180.0° |
| C5 | C1 | C2 | O3 | 0.6° | 0.0° |
| C1 | C5 | N4 | O3 | 1.0° | 0.0° |
| C1 | C5 | N4 | H4 | 179.0° | 179.9° |
| C5 | C1 | C24 | H241 | 152.7° | 34.9° |
| C5 | C1 | C24 | H242 | 34.4° | 155.0° |
| C2 | C1 | C5 | N4 | 0.3° | 0.0° |
| C1 | C2 | C6 | N10 | 6.7° | 179.7° |
| C1 | C2 | C6 | O3 | 176.3° | 180.0° |
| C1 | C2 | C6 | N7 | 171.3° | 0.0° |
| C1 | C2 | O3 | N4 | 1.2° | 0.0° |
| C2 | C1 | C24 | H241 | 27.9° | 144.7° |
| C2 | C1 | C24 | H242 | 146.2° | 24.6° |
| C5 | N4 | O3 | C2 | 1.4° | 0.0° |
| C5 | N4 | O3 | H4 | 180.0° | 179.9° |
| N10 | N9 | C11 | N8 | 179.9° | 179.8° |
| N10 | N9 | C11 | C15 | 143.6° | 89.7° |
| N9 | N10 | C6 | C2 | 177.7° | 179.8° |
| N9 | N10 | C6 | N7 | 0.3° | 0.4° |
| N10 | N9 | N8 | N7 | 0.3° | 0.2° |
| N10 | N9 | C11 | H111 | 95.9° | 30.3° |
| N10 | N9 | C11 | H112 | 23.1° | 150.3° |
| C6 | N10 | N9 | C11 | 179.9° | 179.8° |
| C6 | N10 | N9 | N8 | 0.0° | 0.4° |
| N10 | C6 | C2 | N7 | 178.0° | 179.7° |
| N10 | C6 | C2 | O3 | 177.0° | 0.3° |
| N10 | C6 | N7 | N8 | 0.5° | 0.2° |
| N9 | C11 | C15 | H111 | 120.5° | 120.1° |
| N9 | C11 | C15 | H112 | 120.5° | 120.0° |
| N9 | C11 | C15 | C16 | 77.1° | 90.0° |
| N9 | C11 | C15 | C14 | 101.7° | 90.0° |
| C11 | N9 | N8 | N7 | 179.6° | 180.0° |
| N9 | C11 | H111 | H112 | 118.4° | 120.0° |
| C15 | C11 | N9 | N8 | 36.2° | 90.0° |
| C11 | C15 | C16 | C14 | 178.8° | 180.0° |
| C11 | C15 | C16 | C17 | 179.7° | 179.7° |
| C11 | C15 | C14 | C13 | 179.1° | 180.0° |
| C15 | C11 | H111 | H112 | 118.4° | 119.9° |
| C11 | C15 | C14 | H14 | 0.9° | 0.0° |
| C11 | C15 | C16 | H16 | 0.3° | 0.0° |
| N9 | N8 | N7 | C6 | 0.5° | 0.0° |
| N8 | N9 | C11 | H111 | 84.3° | 149.9° |
| N8 | N9 | C11 | H112 | 156.8° | 29.9° |
| C6 | C2 | O3 | N4 | 178.0° | 180.0° |
| C2 | C6 | N7 | N8 | 177.6° | 180.0° |
| O3 | C2 | C6 | N7 | 5.0° | 180.0° |
| C2 | O3 | N4 | H4 | 178.6° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C15 | C16 | C17 | C12 | 0.8° | 0.5° |
| C16 | C15 | C14 | C13 | 2.0° | 0.0° |
| C16 | C15 | C11 | H111 | 162.4° | 150.0° |
| C16 | C15 | C11 | H112 | 43.4° | 30.0° |
| C16 | C15 | C14 | H14 | 178.0° | 180.0° |
| C15 | C16 | C17 | H17 | 179.1° | 180.0° |
| C17 | C16 | C15 | C14 | 0.9° | 0.3° |
| C16 | C17 | C12 | H17 | 180.0° | 179.5° |
| C16 | C17 | C12 | C13 | 1.5° | 0.5° |
| C16 | C17 | C12 | H12 | 178.5° | 179.7° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.4° | 0.0° |
| C15 | C14 | C13 | C18 | 178.9° | 180.0° |
| C14 | C15 | C11 | H111 | 18.8° | 30.0° |
| C14 | C15 | C11 | H112 | 137.7° | 150.0° |
| C14 | C15 | C16 | H16 | 179.1° | 180.0° |
| C17 | C12 | C13 | C14 | 0.3° | 0.3° |
| C17 | C12 | C13 | H12 | 180.0° | 179.8° |
| C17 | C12 | C13 | C18 | 179.4° | 179.7° |
| C12 | C17 | C16 | H16 | 179.2° | 179.8° |
| C14 | C13 | C12 | C18 | 179.7° | 180.0° |
| C14 | C13 | C12 | H12 | 179.7° | 179.9° |
| C14 | C13 | C18 | H1 | 90.2° | 90.0° |
| C14 | C13 | C18 | H3 | 149.8° | 30.0° |
| C14 | C13 | C18 | H2 | 29.9° | 149.9° |
| C12 | C13 | C14 | H14 | 178.6° | 180.0° |
| C13 | C12 | C17 | H17 | 178.5° | 180.0° |
| C12 | C13 | C18 | H1 | 90.1° | 90.0° |
| C12 | C13 | C18 | H3 | 29.9° | 150.0° |
| C12 | C13 | C18 | H2 | 149.8° | 30.1° |
| C18 | C13 | C12 | H12 | 0.6° | 0.1° |
| C18 | C13 | C14 | H14 | 1.1° | 0.0° |
| C13 | C18 | H1 | H3 | 120.0° | 120.0° |
| C13 | C18 | H1 | H2 | 120.0° | 120.0° |
| C13 | C18 | H3 | H2 | 120.0° | 119.9° |
| H12 | C12 | C17 | H17 | 1.5° | 0.2° |
| H16 | C16 | C17 | H17 | 0.9° | 0.3° |
| H241 | C24 | C25 | H25 | 143.0° | 65.0° |
| H242 | C24 | C25 | H25 | 98.6° | 175.0° |
| H25 | C25 | N29 | H292 | 65.8° | 56.2° |
| H25 | C25 | N29 | H291 | 54.2° | 180.0° |
| H1 | C18 | H3 | H2 | 120.0° | 120.0° |
