8HO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C18 | doub | 1.21Å | 1.27Å | |
| O4 | C18 | sing | 1.34Å | 1.30Å | |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| C17 | N1 | sing | 1.46Å | 1.41Å | |
| N1 | C16 | sing | 1.35Å | 1.35Å | |
| C16 | O2 | doub | 1.22Å | 1.30Å | |
| C16 | C2 | sing | 1.47Å | 1.42Å | |
| N | C2 | sing | 1.34Å | 1.42Å | Aromatic |
| N | C1 | doub | 1.31Å | 1.31Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.54Å | |
| C1 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
| O1 | C3 | sing | 1.35Å | 1.42Å | |
| C3 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.32Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | O | sing | 1.36Å | 1.39Å | |
| O | C10 | sing | 1.36Å | 1.38Å | |
| C15 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.32Å | Aromatic |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C18 | O4 | 121.1° | 120.0° |
| O3 | C18 | C17 | 121.3° | 120.0° |
| O4 | C18 | C17 | 117.6° | 120.0° |
| C18 | O4 | H4 | 109.5° | 116.9° |
| C18 | C17 | N1 | 113.4° | 109.5° |
| C18 | C17 | H5 | 108.5° | 109.5° |
| C18 | C17 | H6 | 108.5° | 109.4° |
| C17 | N1 | C16 | 127.4° | 120.1° |
| N1 | C17 | H5 | 108.5° | 109.5° |
| N1 | C17 | H6 | 108.5° | 109.5° |
| C17 | N1 | H7 | 116.3° | 120.0° |
| N1 | C16 | O2 | 115.7° | 120.0° |
| N1 | C16 | C2 | 120.2° | 120.0° |
| C16 | N1 | H7 | 116.3° | 120.0° |
| O2 | C16 | C2 | 123.9° | 120.0° |
| C16 | C2 | N | 115.6° | 119.4° |
| C16 | C2 | C3 | 125.4° | 119.4° |
| C2 | N | C1 | 117.4° | 122.7° |
| N | C2 | C3 | 119.0° | 121.3° |
| N | C1 | C | 115.3° | 119.8° |
| N | C1 | C5 | 126.6° | 120.4° |
| C2 | C3 | O1 | 114.0° | 120.8° |
| C2 | C3 | C4 | 126.0° | 118.4° |
| C | C1 | C5 | 117.9° | 119.8° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C5 | C4 | 115.6° | 119.0° |
| C1 | C5 | C6 | 124.3° | 121.7° |
| O1 | C3 | C4 | 120.0° | 120.8° |
| C3 | O1 | H8 | 109.5° | 114.0° |
| C3 | C4 | C5 | 115.2° | 118.2° |
| C3 | C4 | C9 | 125.3° | 122.0° |
| C4 | C5 | C6 | 120.1° | 119.4° |
| C5 | C4 | C9 | 119.5° | 119.8° |
| C5 | C6 | C7 | 118.1° | 119.4° |
| C5 | C6 | H11 | 121.0° | 120.3° |
| C4 | C9 | C8 | 118.4° | 119.8° |
| C4 | C9 | H9 | 120.8° | 120.1° |
| C6 | C7 | C8 | 123.5° | 120.8° |
| C6 | C7 | O | 115.7° | 119.6° |
| C7 | C6 | H11 | 120.9° | 120.2° |
| C9 | C8 | C7 | 119.9° | 120.8° |
| C8 | C9 | H9 | 120.8° | 120.1° |
| C9 | C8 | H10 | 120.0° | 119.6° |
| C8 | C7 | O | 120.7° | 119.6° |
| C7 | C8 | H10 | 120.0° | 119.6° |
| C7 | O | C10 | 122.2° | 118.0° |
| O | C10 | C15 | 112.8° | 120.1° |
| O | C10 | C11 | 118.7° | 120.0° |
| C10 | C15 | C14 | 116.7° | 120.0° |
| C15 | C10 | C11 | 128.4° | 119.9° |
| C10 | C15 | H12 | 121.6° | 120.1° |
| C15 | C14 | C13 | 114.2° | 120.0° |
| C14 | C15 | H12 | 121.6° | 120.0° |
| C15 | C14 | H13 | 122.9° | 120.0° |
| C10 | C11 | C12 | 110.5° | 119.9° |
| C10 | C11 | H16 | 124.8° | 120.1° |
| C14 | C13 | C12 | 126.8° | 120.1° |
| C13 | C14 | H13 | 122.9° | 120.0° |
| C14 | C13 | H14 | 116.6° | 119.9° |
| C11 | C12 | C13 | 123.1° | 120.1° |
| C11 | C12 | H15 | 118.5° | 120.0° |
| C12 | C11 | H16 | 124.7° | 120.0° |
| C12 | C13 | H14 | 116.6° | 120.0° |
| C13 | C12 | H15 | 118.5° | 119.9° |
| H1 | C | H2 | 109.4° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C18 | O4 | C17 | 177.7° | 180.0° |
| O3 | C18 | C17 | N1 | 25.0° | 0.0° |
| O3 | C18 | O4 | H4 | 0.0° | 0.0° |
| O3 | C18 | C17 | H5 | 95.6° | 120.0° |
| O3 | C18 | C17 | H6 | 145.5° | 120.0° |
| O4 | C18 | C17 | N1 | 152.7° | 180.0° |
| O4 | C18 | C17 | H5 | 86.7° | 60.0° |
| O4 | C18 | C17 | H6 | 32.1° | 60.0° |
| C18 | C17 | N1 | H5 | 120.6° | 120.1° |
| C18 | C17 | N1 | H6 | 120.6° | 120.0° |
| C18 | C17 | N1 | C16 | 65.3° | 180.0° |
| C17 | C18 | O4 | H4 | 177.6° | 180.0° |
| C18 | C17 | H5 | H6 | 118.2° | 120.0° |
| C18 | C17 | N1 | H7 | 114.7° | 0.0° |
| C17 | N1 | C16 | H7 | 180.0° | 180.0° |
| C17 | N1 | C16 | O2 | 6.4° | 0.0° |
| C17 | N1 | C16 | C2 | 169.6° | 180.0° |
| N1 | C17 | H5 | H6 | 118.2° | 120.0° |
| N1 | C16 | O2 | C2 | 175.9° | 179.9° |
| N1 | C16 | C2 | N | 0.1° | 0.1° |
| N1 | C16 | C2 | C3 | 178.9° | 180.0° |
| C16 | N1 | C17 | H5 | 174.1° | 60.0° |
| C16 | N1 | C17 | H6 | 55.3° | 60.0° |
| O2 | C16 | C2 | N | 175.7° | 180.0° |
| O2 | C16 | C2 | C3 | 5.4° | 0.1° |
| O2 | C16 | N1 | H7 | 173.6° | 180.0° |
| C16 | C2 | N | C3 | 179.0° | 179.9° |
| C16 | C2 | N | C1 | 175.8° | 179.9° |
| C16 | C2 | C3 | O1 | 1.5° | 0.1° |
| C16 | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C16 | N1 | H7 | 10.4° | 0.0° |
| C2 | N | C1 | C | 179.3° | 180.0° |
| C2 | N | C1 | C5 | 6.1° | 0.0° |
| N | C2 | C3 | O1 | 177.4° | 180.0° |
| N | C2 | C3 | C4 | 1.3° | 0.0° |
| C1 | N | C2 | C3 | 3.2° | 0.0° |
| N | C1 | C | C5 | 175.1° | 180.0° |
| N | C1 | C5 | C4 | 4.2° | 0.0° |
| N | C1 | C5 | C6 | 172.4° | 180.0° |
| N | C1 | C | H1 | 0.0° | 90.0° |
| N | C1 | C | H2 | 120.0° | 150.0° |
| N | C1 | C | H3 | 120.0° | 30.0° |
| C2 | C3 | O1 | C4 | 178.8° | 180.0° |
| C2 | C3 | C4 | C5 | 3.1° | 0.1° |
| C2 | C3 | C4 | C9 | 179.1° | 180.0° |
| C2 | C3 | O1 | H8 | 3.7° | 90.0° |
| C | C1 | C5 | C4 | 178.7° | 180.0° |
| C | C1 | C5 | C6 | 2.1° | 0.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C5 | C4 | C3 | 0.5° | 0.0° |
| C1 | C5 | C4 | C6 | 176.7° | 180.0° |
| C1 | C5 | C4 | C9 | 178.5° | 180.0° |
| C1 | C5 | C6 | C7 | 177.3° | 179.9° |
| C5 | C1 | C | H1 | 175.1° | 90.0° |
| C5 | C1 | C | H2 | 55.2° | 30.0° |
| C5 | C1 | C | H3 | 64.9° | 150.0° |
| C1 | C5 | C6 | H11 | 2.7° | 0.1° |
| O1 | C3 | C4 | C5 | 175.6° | 180.0° |
| O1 | C3 | C4 | C9 | 2.3° | 0.0° |
| C3 | C4 | C5 | C9 | 178.0° | 179.9° |
| C3 | C4 | C5 | C6 | 177.3° | 180.0° |
| C3 | C4 | C9 | C8 | 178.8° | 179.9° |
| C4 | C3 | O1 | H8 | 177.5° | 90.0° |
| C3 | C4 | C9 | H9 | 1.2° | 0.0° |
| C4 | C5 | C6 | C7 | 6.3° | 0.1° |
| C5 | C4 | C9 | C8 | 3.5° | 0.0° |
| C5 | C4 | C9 | H9 | 176.5° | 180.0° |
| C4 | C5 | C6 | H11 | 173.7° | 179.9° |
| C6 | C5 | C4 | C9 | 4.7° | 0.1° |
| C5 | C6 | C7 | H11 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 7.2° | 0.0° |
| C5 | C6 | C7 | O | 175.7° | 180.0° |
| C4 | C9 | C8 | H9 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 4.1° | 0.1° |
| C4 | C9 | C8 | H10 | 175.9° | 180.0° |
| C6 | C7 | C8 | C9 | 6.1° | 0.0° |
| C6 | C7 | C8 | O | 177.0° | 179.9° |
| C6 | C7 | O | C10 | 165.4° | 90.0° |
| C6 | C7 | C8 | H10 | 173.9° | 180.0° |
| C9 | C8 | C7 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | O | 176.9° | 179.9° |
| C8 | C7 | O | C10 | 11.8° | 89.9° |
| C7 | C8 | C9 | H9 | 175.9° | 180.0° |
| C8 | C7 | C6 | H11 | 172.8° | 180.0° |
| C7 | O | C10 | C15 | 91.9° | 1.0° |
| C7 | O | C10 | C11 | 87.3° | 179.2° |
| O | C7 | C8 | H10 | 3.1° | 0.1° |
| O | C7 | C6 | H11 | 4.3° | 0.0° |
| O | C10 | C15 | C11 | 179.1° | 179.8° |
| O | C10 | C15 | C14 | 178.1° | 180.0° |
| O | C10 | C11 | C12 | 174.9° | 179.7° |
| O | C10 | C15 | H12 | 1.9° | 0.1° |
| O | C10 | C11 | H16 | 5.1° | 0.1° |
| C10 | C15 | C14 | H12 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 2.2° | 0.0° |
| C15 | C10 | C11 | C12 | 6.1° | 0.5° |
| C10 | C15 | C14 | H13 | 177.8° | 180.0° |
| C15 | C10 | C11 | H16 | 173.9° | 179.7° |
| C14 | C15 | C10 | C11 | 2.8° | 0.2° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 3.5° | 0.0° |
| C15 | C14 | C13 | H14 | 176.5° | 180.0° |
| C10 | C11 | C12 | H16 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 4.6° | 0.6° |
| C11 | C10 | C15 | H12 | 177.2° | 179.8° |
| C10 | C11 | C12 | H15 | 175.4° | 179.7° |
| C14 | C13 | C12 | C11 | 0.1° | 0.3° |
| C14 | C13 | C12 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H12 | 177.8° | 180.0° |
| C14 | C13 | C12 | H15 | 179.9° | 179.9° |
| C11 | C12 | C13 | H15 | 180.0° | 179.8° |
| C11 | C12 | C13 | H14 | 179.9° | 179.8° |
| C12 | C13 | C14 | H13 | 176.4° | 180.0° |
| C13 | C12 | C11 | H16 | 175.4° | 179.7° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H5 | C17 | N1 | H7 | 5.9° | 120.0° |
| H6 | C17 | N1 | H7 | 124.7° | 120.0° |
| H9 | C9 | C8 | H10 | 4.2° | 0.0° |
| H12 | C15 | C14 | H13 | 2.2° | 0.0° |
| H13 | C14 | C13 | H14 | 3.6° | 0.0° |
| H14 | C13 | C12 | H15 | 0.1° | 0.0° |
| H15 | C12 | C11 | H16 | 4.6° | 0.1° |
