HO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C05 | doub | 1.38Å | 1.54Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.52Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.54Å | Aromatic |
| C03 | C10 | sing | 1.51Å | 1.59Å | |
| C03 | C02 | doub | 1.38Å | 1.54Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.48Å | |
| C16 | C15 | doub | 1.38Å | 1.53Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.53Å | Aromatic |
| C06 | O11 | sing | 1.36Å | 1.40Å | |
| C06 | C01 | doub | 1.38Å | 1.54Å | Aromatic |
| O11 | C13 | sing | 1.43Å | 1.40Å | |
| C15 | C14 | sing | 1.38Å | 1.52Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | doub | 1.38Å | 1.53Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C19 | doub | 1.40Å | 1.52Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.51Å | Aromatic |
| C02 | C07 | sing | 1.51Å | 1.57Å | |
| C18 | C19 | sing | 1.40Å | 1.52Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.52Å | |
| C08 | N12 | sing | 1.47Å | 1.45Å | |
| C08 | C07 | sing | 1.53Å | 1.50Å | |
| C08 | C29 | sing | 1.51Å | 1.57Å | |
| N24 | C20 | doub | 1.31Å | 1.36Å | Aromatic |
| N24 | C23 | sing | 1.36Å | 1.33Å | Aromatic |
| C20 | O21 | sing | 1.35Å | 1.37Å | Aromatic |
| O30 | C29 | doub | 1.21Å | 1.25Å | |
| C29 | O31 | sing | 1.34Å | 1.25Å | |
| C23 | C28 | doub | 1.40Å | 1.57Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.50Å | Aromatic |
| O21 | C22 | sing | 1.35Å | 1.33Å | Aromatic |
| C22 | C25 | doub | 1.39Å | 1.56Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.48Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.51Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| N12 | H3 | sing | 1.01Å | 1.00Å | |
| N12 | H4 | sing | 1.01Å | 1.00Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C01 | H12 | sing | 1.08Å | 1.08Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C05 | H14 | sing | 1.08Å | 1.08Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| O31 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C03 | 119.9° | 120.6° |
| C04 | C05 | C06 | 120.2° | 119.7° |
| C05 | C04 | H13 | 120.1° | 119.7° |
| C04 | C05 | H14 | 119.9° | 120.1° |
| C04 | C03 | C10 | 125.4° | 117.7° |
| C04 | C03 | C02 | 119.9° | 119.8° |
| C03 | C04 | H13 | 120.1° | 119.7° |
| C05 | C06 | O11 | 119.2° | 120.2° |
| C05 | C06 | C01 | 119.2° | 119.7° |
| C06 | C05 | H14 | 119.9° | 120.2° |
| C10 | C03 | C02 | 114.7° | 122.5° |
| C03 | C10 | C09 | 114.4° | 110.6° |
| C03 | C10 | H1 | 108.2° | 109.2° |
| C03 | C10 | H2 | 108.2° | 109.2° |
| C03 | C02 | C01 | 120.5° | 119.7° |
| C03 | C02 | C07 | 114.2° | 122.6° |
| C10 | C09 | C08 | 117.2° | 108.4° |
| C09 | C10 | H1 | 108.2° | 109.3° |
| C09 | C10 | H2 | 108.2° | 109.3° |
| C10 | C09 | H17 | 107.5° | 109.7° |
| C10 | C09 | H18 | 107.5° | 109.7° |
| C15 | C16 | C17 | 120.2° | 120.3° |
| C16 | C15 | C14 | 119.3° | 120.2° |
| C16 | C15 | H8 | 120.3° | 119.9° |
| C15 | C16 | H19 | 119.9° | 119.9° |
| C16 | C17 | C18 | 120.3° | 120.1° |
| C16 | C17 | H9 | 119.9° | 120.0° |
| C17 | C16 | H19 | 119.9° | 119.8° |
| O11 | C06 | C01 | 121.6° | 120.2° |
| C06 | O11 | C13 | 115.0° | 117.0° |
| C06 | C01 | C02 | 120.4° | 120.5° |
| C06 | C01 | H12 | 119.8° | 119.8° |
| O11 | C13 | C14 | 112.2° | 109.5° |
| O11 | C13 | H6 | 108.8° | 109.4° |
| O11 | C13 | H7 | 108.8° | 109.5° |
| C15 | C14 | C13 | 121.7° | 120.1° |
| C15 | C14 | C19 | 120.5° | 119.9° |
| C14 | C15 | H8 | 120.3° | 119.9° |
| C09 | C08 | N12 | 107.7° | 109.7° |
| C09 | C08 | C07 | 116.0° | 108.4° |
| C09 | C08 | C29 | 107.6° | 109.7° |
| C08 | C09 | H17 | 107.5° | 109.7° |
| C08 | C09 | H18 | 107.5° | 109.7° |
| C17 | C18 | C19 | 119.3° | 119.9° |
| C18 | C17 | H9 | 119.8° | 119.9° |
| C17 | C18 | H20 | 120.4° | 120.1° |
| C13 | C14 | C19 | 117.9° | 120.0° |
| C14 | C13 | H6 | 108.8° | 109.4° |
| C14 | C13 | H7 | 108.8° | 109.5° |
| C14 | C19 | C18 | 120.5° | 119.7° |
| C14 | C19 | C20 | 117.7° | 120.2° |
| C01 | C02 | C07 | 125.3° | 117.7° |
| C02 | C01 | H12 | 119.8° | 119.7° |
| C02 | C07 | C08 | 113.5° | 110.6° |
| C02 | C07 | H15 | 108.5° | 109.2° |
| C02 | C07 | H16 | 108.5° | 109.3° |
| C18 | C19 | C20 | 121.8° | 120.1° |
| C19 | C18 | H20 | 120.4° | 120.1° |
| C19 | C20 | N24 | 124.1° | 124.9° |
| C19 | C20 | O21 | 127.5° | 125.0° |
| N12 | C08 | C07 | 109.7° | 109.7° |
| N12 | C08 | C29 | 109.1° | 109.7° |
| C08 | N12 | H3 | 109.5° | 111.0° |
| C08 | N12 | H4 | 109.5° | 111.0° |
| C07 | C08 | C29 | 106.5° | 109.7° |
| C08 | C07 | H15 | 108.4° | 109.3° |
| C08 | C07 | H16 | 108.5° | 109.2° |
| C08 | C29 | O30 | 119.5° | 120.0° |
| C08 | C29 | O31 | 120.6° | 120.0° |
| C20 | N24 | C23 | 108.1° | 108.7° |
| N24 | C20 | O21 | 108.4° | 110.1° |
| N24 | C23 | C28 | 131.0° | 133.7° |
| N24 | C23 | C22 | 107.9° | 106.7° |
| C20 | O21 | C22 | 107.5° | 108.1° |
| O30 | C29 | O31 | 119.9° | 120.0° |
| C29 | O31 | H23 | 109.5° | 117.0° |
| C28 | C23 | C22 | 121.1° | 119.7° |
| C23 | C28 | C27 | 119.6° | 119.7° |
| C23 | C28 | H11 | 120.2° | 120.1° |
| C23 | C22 | O21 | 108.1° | 106.4° |
| C23 | C22 | C25 | 119.9° | 119.8° |
| C28 | C27 | C26 | 119.5° | 120.4° |
| C27 | C28 | H11 | 120.2° | 120.1° |
| C28 | C27 | H22 | 120.2° | 119.8° |
| O21 | C22 | C25 | 132.0° | 133.8° |
| C22 | C25 | C26 | 119.8° | 119.9° |
| C22 | C25 | H21 | 120.1° | 120.1° |
| C27 | C26 | C25 | 120.1° | 120.6° |
| C27 | C26 | H10 | 119.9° | 119.7° |
| C26 | C27 | H22 | 120.2° | 119.8° |
| C25 | C26 | H10 | 119.9° | 119.7° |
| C26 | C25 | H21 | 120.1° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.2° |
| H3 | N12 | H4 | 109.4° | 111.0° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.3° |
| H17 | C09 | H18 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C03 | H13 | 180.0° | 180.0° |
| C04 | C05 | C06 | H14 | 180.0° | 180.0° |
| C05 | C04 | C03 | C10 | 179.7° | 179.7° |
| C05 | C04 | C03 | C02 | 0.3° | 0.2° |
| C04 | C05 | C06 | O11 | 179.9° | 179.8° |
| C04 | C05 | C06 | C01 | 0.3° | 0.1° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C10 | C02 | 179.4° | 179.9° |
| C04 | C03 | C10 | C09 | 139.4° | 162.4° |
| C04 | C03 | C02 | C01 | 0.3° | 0.3° |
| C04 | C03 | C02 | C07 | 179.9° | 179.5° |
| C04 | C03 | C10 | H1 | 18.6° | 77.3° |
| C04 | C03 | C10 | H2 | 99.9° | 42.1° |
| C03 | C04 | C05 | H14 | 179.7° | 180.0° |
| C05 | C06 | O11 | C01 | 179.8° | 179.9° |
| C05 | C06 | O11 | C13 | 155.8° | 0.1° |
| C05 | C06 | C01 | C02 | 0.3° | 0.0° |
| C05 | C06 | C01 | H12 | 179.7° | 179.9° |
| C06 | C05 | C04 | H13 | 179.7° | 180.0° |
| C03 | C10 | C09 | H1 | 120.7° | 120.3° |
| C03 | C10 | C09 | H2 | 120.7° | 120.3° |
| C03 | C10 | C09 | C08 | 38.9° | 51.1° |
| C10 | C03 | C02 | C01 | 179.7° | 179.6° |
| C10 | C03 | C02 | C07 | 0.4° | 0.6° |
| C03 | C10 | H1 | H2 | 117.8° | 119.4° |
| C10 | C03 | C04 | H13 | 0.3° | 0.3° |
| C03 | C10 | C09 | H17 | 82.3° | 170.9° |
| C03 | C10 | C09 | H18 | 160.0° | 68.6° |
| C02 | C03 | C10 | C09 | 41.2° | 17.7° |
| C03 | C02 | C01 | C06 | 0.3° | 0.2° |
| C03 | C02 | C01 | C07 | 179.9° | 179.8° |
| C03 | C02 | C07 | C08 | 43.0° | 17.7° |
| C02 | C03 | C10 | H1 | 161.9° | 102.6° |
| C02 | C03 | C10 | H2 | 79.5° | 138.0° |
| C03 | C02 | C01 | H12 | 179.8° | 179.9° |
| C02 | C03 | C04 | H13 | 179.7° | 179.8° |
| C03 | C02 | C07 | H15 | 77.6° | 102.6° |
| C03 | C02 | C07 | H16 | 163.6° | 137.9° |
| C10 | C09 | C08 | H17 | 121.1° | 119.7° |
| C10 | C09 | C08 | H18 | 121.1° | 119.7° |
| C10 | C09 | C08 | N12 | 117.9° | 49.8° |
| C10 | C09 | C08 | C07 | 5.5° | 69.9° |
| C10 | C09 | C08 | C29 | 124.6° | 170.4° |
| C09 | C10 | H1 | H2 | 117.8° | 119.5° |
| C10 | C09 | H17 | H18 | 116.5° | 120.5° |
| C15 | C16 | C17 | H19 | 180.0° | 180.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.1° | 0.6° |
| C16 | C15 | C14 | C13 | 179.6° | 179.8° |
| C16 | C15 | C14 | C19 | 0.4° | 0.3° |
| C15 | C16 | C17 | H9 | 179.9° | 179.7° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C17 | C18 | H9 | 180.0° | 179.1° |
| C16 | C17 | C18 | C19 | 0.2° | 0.8° |
| C17 | C16 | C15 | H8 | 179.8° | 179.7° |
| C16 | C17 | C18 | H20 | 179.8° | 179.3° |
| C06 | O11 | C13 | C14 | 157.2° | 180.0° |
| O11 | C06 | C01 | C02 | 179.9° | 179.9° |
| C06 | O11 | C13 | H6 | 82.4° | 60.1° |
| C06 | O11 | C13 | H7 | 36.8° | 60.0° |
| O11 | C06 | C01 | H12 | 0.0° | 0.1° |
| O11 | C06 | C05 | H14 | 0.1° | 0.2° |
| C01 | C06 | O11 | C13 | 24.4° | 180.0° |
| C06 | C01 | C02 | H12 | 180.0° | 179.9° |
| C06 | C01 | C02 | C07 | 179.9° | 179.6° |
| C01 | C06 | C05 | H14 | 179.7° | 179.9° |
| O11 | C13 | C14 | C15 | 33.9° | 0.0° |
| O11 | C13 | C14 | H6 | 120.4° | 119.9° |
| O11 | C13 | C14 | H7 | 120.4° | 120.0° |
| O11 | C13 | C14 | C19 | 146.9° | 180.0° |
| O11 | C13 | H6 | H7 | 118.7° | 120.0° |
| C15 | C14 | C13 | C19 | 179.2° | 179.9° |
| C15 | C14 | C19 | C18 | 0.5° | 0.0° |
| C15 | C14 | C19 | C20 | 180.0° | 180.0° |
| C15 | C14 | C13 | H6 | 86.6° | 120.0° |
| C15 | C14 | C13 | H7 | 154.2° | 120.0° |
| C14 | C15 | C16 | H19 | 179.8° | 180.0° |
| C09 | C08 | C07 | C02 | 47.3° | 51.1° |
| C09 | C08 | N12 | C07 | 127.1° | 118.9° |
| C09 | C08 | N12 | C29 | 116.5° | 120.5° |
| C09 | C08 | C07 | C29 | 119.7° | 119.7° |
| C09 | C08 | C29 | O30 | 39.1° | 24.5° |
| C09 | C08 | C29 | O31 | 141.4° | 155.6° |
| C08 | C09 | C10 | H1 | 159.6° | 69.2° |
| C08 | C09 | C10 | H2 | 81.8° | 171.4° |
| C09 | C08 | N12 | H3 | 180.0° | 179.0° |
| C09 | C08 | N12 | H4 | 60.0° | 55.0° |
| C09 | C08 | C07 | H15 | 73.3° | 69.2° |
| C09 | C08 | C07 | H16 | 167.9° | 171.4° |
| C08 | C09 | H17 | H18 | 116.5° | 120.6° |
| C17 | C18 | C19 | C14 | 0.4° | 0.5° |
| C17 | C18 | C19 | H20 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 179.8° | 179.5° |
| C18 | C17 | C16 | H19 | 179.9° | 179.5° |
| C13 | C14 | C19 | C18 | 179.8° | 179.9° |
| C13 | C14 | C19 | C20 | 0.8° | 0.1° |
| C14 | C13 | H6 | H7 | 118.7° | 120.0° |
| C13 | C14 | C15 | H8 | 0.4° | 0.0° |
| C14 | C19 | C18 | C20 | 179.4° | 180.0° |
| C14 | C19 | C20 | N24 | 35.7° | 0.3° |
| C14 | C19 | C20 | O21 | 144.0° | 180.0° |
| C19 | C14 | C13 | H6 | 92.6° | 60.1° |
| C19 | C14 | C13 | H7 | 26.6° | 59.9° |
| C19 | C14 | C15 | H8 | 179.6° | 180.0° |
| C14 | C19 | C18 | H20 | 179.6° | 179.6° |
| C01 | C02 | C07 | C08 | 136.9° | 162.5° |
| C01 | C02 | C07 | H15 | 102.6° | 77.2° |
| C01 | C02 | C07 | H16 | 16.3° | 42.3° |
| C02 | C07 | C08 | N12 | 75.1° | 68.6° |
| C02 | C07 | C08 | H15 | 120.6° | 120.3° |
| C02 | C07 | C08 | H16 | 120.6° | 120.3° |
| C02 | C07 | C08 | C29 | 166.9° | 170.8° |
| C07 | C02 | C01 | H12 | 0.1° | 0.3° |
| C02 | C07 | H15 | H16 | 118.2° | 119.5° |
| C18 | C19 | C20 | N24 | 143.7° | 179.7° |
| C18 | C19 | C20 | O21 | 36.6° | 0.0° |
| C19 | C18 | C17 | H9 | 179.8° | 180.0° |
| C19 | C20 | N24 | O21 | 179.8° | 179.7° |
| C19 | C20 | N24 | C23 | 180.0° | 179.7° |
| C19 | C20 | O21 | C22 | 179.9° | 180.0° |
| C20 | C19 | C18 | H20 | 0.2° | 0.5° |
| N12 | C08 | C07 | C29 | 118.0° | 120.6° |
| N12 | C08 | C29 | O30 | 155.7° | 145.0° |
| N12 | C08 | C29 | O31 | 24.7° | 35.1° |
| C08 | N12 | H3 | H4 | 120.0° | 124.0° |
| N12 | C08 | C07 | H15 | 164.3° | 171.1° |
| N12 | C08 | C07 | H16 | 45.5° | 51.6° |
| N12 | C08 | C09 | H17 | 3.2° | 69.9° |
| N12 | C08 | C09 | H18 | 121.0° | 169.5° |
| C07 | C08 | C29 | O30 | 85.9° | 94.4° |
| C07 | C08 | C29 | O31 | 93.7° | 85.5° |
| C07 | C08 | N12 | H3 | 52.9° | 60.0° |
| C07 | C08 | N12 | H4 | 67.1° | 63.9° |
| C08 | C07 | H15 | H16 | 118.2° | 119.4° |
| C07 | C08 | C09 | H17 | 126.6° | 170.4° |
| C07 | C08 | C09 | H18 | 115.6° | 49.8° |
| C08 | C29 | O30 | O31 | 179.6° | 179.9° |
| C29 | C08 | N12 | H3 | 63.5° | 60.5° |
| C29 | C08 | N12 | H4 | 176.6° | 175.5° |
| C29 | C08 | C07 | H15 | 46.4° | 50.5° |
| C29 | C08 | C07 | H16 | 72.4° | 68.9° |
| C29 | C08 | C09 | H17 | 114.3° | 50.6° |
| C29 | C08 | C09 | H18 | 3.5° | 69.9° |
| C08 | C29 | O31 | H23 | 179.5° | 180.0° |
| C20 | N24 | C23 | C28 | 179.9° | 179.7° |
| C20 | N24 | C23 | C22 | 0.2° | 0.3° |
| N24 | C20 | O21 | C22 | 0.1° | 0.3° |
| C23 | N24 | C20 | O21 | 0.2° | 0.0° |
| N24 | C23 | C28 | C22 | 180.0° | 180.0° |
| N24 | C23 | C28 | C27 | 179.9° | 180.0° |
| N24 | C23 | C22 | O21 | 0.1° | 0.4° |
| N24 | C23 | C22 | C25 | 179.9° | 180.0° |
| N24 | C23 | C28 | H11 | 0.1° | 0.1° |
| C20 | O21 | C22 | C23 | 0.0° | 0.4° |
| C20 | O21 | C22 | C25 | 180.0° | 179.9° |
| O30 | C29 | O31 | H23 | 0.0° | 0.1° |
| C23 | C28 | C27 | H11 | 180.0° | 179.9° |
| C28 | C23 | C22 | O21 | 179.9° | 179.6° |
| C28 | C23 | C22 | C25 | 0.0° | 0.0° |
| C23 | C28 | C27 | C26 | 0.2° | 0.1° |
| C23 | C28 | C27 | H22 | 179.7° | 179.9° |
| C22 | C23 | C28 | C27 | 0.1° | 0.1° |
| C23 | C22 | O21 | C25 | 180.0° | 179.4° |
| C23 | C22 | C25 | C26 | 0.0° | 0.1° |
| C22 | C23 | C28 | H11 | 179.9° | 179.9° |
| C23 | C22 | C25 | H21 | 180.0° | 180.0° |
| C28 | C27 | C26 | H22 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C28 | C27 | C26 | H10 | 179.8° | 179.9° |
| O21 | C22 | C25 | C26 | 179.9° | 179.5° |
| O21 | C22 | C25 | H21 | 0.1° | 0.6° |
| C22 | C25 | C26 | C27 | 0.1° | 0.1° |
| C22 | C25 | C26 | H21 | 180.0° | 179.9° |
| C22 | C25 | C26 | H10 | 179.9° | 180.0° |
| C27 | C26 | C25 | H10 | 180.0° | 179.9° |
| C26 | C27 | C28 | H11 | 179.8° | 179.9° |
| C27 | C26 | C25 | H21 | 179.9° | 180.0° |
| C25 | C26 | C27 | H22 | 179.8° | 180.0° |
| H1 | C10 | C09 | H17 | 38.5° | 50.5° |
| H1 | C10 | C09 | H18 | 79.3° | 171.1° |
| H2 | C10 | C09 | H17 | 157.0° | 68.9° |
| H2 | C10 | C09 | H18 | 39.3° | 51.7° |
| H8 | C15 | C16 | H19 | 0.2° | 0.2° |
| H9 | C17 | C16 | H19 | 0.1° | 0.3° |
| H9 | C17 | C18 | H20 | 0.2° | 0.1° |
| H10 | C26 | C25 | H21 | 0.1° | 0.1° |
| H10 | C26 | C27 | H22 | 0.2° | 0.1° |
| H11 | C28 | C27 | H22 | 0.2° | 0.1° |
| H13 | C04 | C05 | H14 | 0.3° | 0.0° |
