HOU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.52Å | |
| C07 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.52Å | |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| O15 | C14 | sing | 1.35Å | 1.36Å | Aromatic |
| O15 | C16 | sing | 1.35Å | 1.36Å | Aromatic |
| N19 | C16 | sing | 1.38Å | 1.45Å | |
| N19 | C20 | sing | 1.40Å | 1.46Å | |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | N18 | doub | 1.31Å | 1.29Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C16 | N17 | doub | 1.31Å | 1.30Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| N17 | N18 | sing | 1.29Å | 1.31Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | N27 | sing | 1.47Å | 1.45Å | |
| N27 | C28 | sing | 1.47Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| O30 | C29 | sing | 1.43Å | 1.40Å | |
| C01 | H31 | sing | 1.08Å | 1.08Å | |
| C02 | H32 | sing | 1.08Å | 1.08Å | |
| C03 | H33 | sing | 1.08Å | 1.08Å | |
| C05 | H34 | sing | 1.08Å | 1.08Å | |
| C06 | H35 | sing | 1.08Å | 1.08Å | |
| C08 | H36 | sing | 1.08Å | 1.08Å | |
| C09 | H37 | sing | 1.08Å | 1.08Å | |
| C10 | H38 | sing | 1.08Å | 1.08Å | |
| C13 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C13 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.08Å | 1.08Å | |
| C22 | H44 | sing | 1.08Å | 1.08Å | |
| C23 | H45 | sing | 1.08Å | 1.08Å | |
| C25 | H46 | sing | 1.08Å | 1.08Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| N19 | H42 | sing | 0.97Å | 1.00Å | |
| N27 | H5 | sing | 1.01Å | 1.00Å | |
| O30 | H54 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C09 | C10 | 120.4° | 120.2° |
| C09 | C08 | C07 | 120.5° | 120.2° |
| C09 | C08 | H36 | 119.7° | 119.8° |
| C08 | C09 | H37 | 119.8° | 119.9° |
| C09 | C10 | C11 | 120.0° | 120.1° |
| C10 | C09 | H37 | 119.8° | 119.9° |
| C09 | C10 | H38 | 120.0° | 119.9° |
| C08 | C07 | C04 | 117.0° | 120.1° |
| C08 | C07 | C12 | 119.7° | 119.9° |
| C07 | C08 | H36 | 119.8° | 119.9° |
| C10 | C11 | C14 | 114.9° | 120.1° |
| C10 | C11 | C12 | 119.6° | 119.8° |
| C11 | C10 | H38 | 120.0° | 120.0° |
| C04 | C07 | C12 | 123.3° | 120.0° |
| C07 | C04 | C05 | 120.6° | 120.1° |
| C07 | C04 | C03 | 119.6° | 120.1° |
| C07 | C12 | C11 | 119.8° | 119.7° |
| C07 | C12 | C13 | 117.2° | 120.1° |
| C14 | C11 | C12 | 125.4° | 120.1° |
| C11 | C14 | O15 | 122.0° | 126.3° |
| C11 | C14 | N18 | 130.2° | 126.3° |
| C11 | C12 | C13 | 123.0° | 120.1° |
| C14 | O15 | C16 | 101.2° | 106.3° |
| O15 | C14 | N18 | 103.0° | 107.4° |
| O15 | C16 | N19 | 121.6° | 126.3° |
| O15 | C16 | N17 | 105.5° | 107.5° |
| C16 | N19 | C20 | 124.3° | 120.0° |
| N19 | C16 | N17 | 128.1° | 126.3° |
| C16 | N19 | H42 | 117.8° | 120.0° |
| N19 | C20 | C21 | 119.2° | 120.1° |
| N19 | C20 | C25 | 120.7° | 120.1° |
| C20 | N19 | H42 | 117.9° | 120.0° |
| C04 | C05 | C06 | 120.1° | 119.9° |
| C05 | C04 | C03 | 119.8° | 119.8° |
| C04 | C05 | H34 | 120.0° | 120.1° |
| C05 | C06 | C01 | 119.8° | 120.1° |
| C06 | C05 | H34 | 120.0° | 120.1° |
| C05 | C06 | H35 | 120.1° | 119.9° |
| C14 | N18 | N17 | 101.4° | 109.4° |
| C04 | C03 | C02 | 120.5° | 119.9° |
| C04 | C03 | H33 | 119.8° | 120.1° |
| C12 | C13 | H41 | 109.5° | 109.5° |
| C12 | C13 | H39 | 109.5° | 109.5° |
| C12 | C13 | H40 | 109.5° | 109.5° |
| C16 | N17 | N18 | 107.6° | 109.4° |
| C03 | C02 | C01 | 119.5° | 120.1° |
| C03 | C02 | H32 | 120.3° | 119.9° |
| C02 | C03 | H33 | 119.7° | 120.0° |
| C06 | C01 | C02 | 120.3° | 120.2° |
| C06 | C01 | H31 | 119.9° | 119.8° |
| C01 | C06 | H35 | 120.1° | 119.9° |
| C20 | C21 | C22 | 120.1° | 119.9° |
| C21 | C20 | C25 | 120.1° | 119.8° |
| C20 | C21 | H43 | 119.9° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.1° |
| C22 | C21 | H43 | 120.0° | 120.0° |
| C21 | C22 | H44 | 120.2° | 119.9° |
| C20 | C25 | C24 | 119.8° | 119.9° |
| C20 | C25 | H46 | 120.1° | 120.0° |
| C02 | C01 | H31 | 119.8° | 119.9° |
| C01 | C02 | H32 | 120.2° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.1° |
| C23 | C22 | H44 | 120.2° | 120.0° |
| C22 | C23 | H45 | 119.9° | 119.9° |
| C25 | C24 | C23 | 120.1° | 120.1° |
| C25 | C24 | C26 | 119.4° | 120.0° |
| C24 | C25 | H46 | 120.1° | 120.1° |
| C23 | C24 | C26 | 120.5° | 119.9° |
| C24 | C23 | H45 | 119.9° | 119.9° |
| C24 | C26 | N27 | 111.0° | 109.5° |
| C24 | C26 | H47 | 109.1° | 109.5° |
| C24 | C26 | H48 | 109.1° | 109.5° |
| C26 | N27 | C28 | 109.8° | 111.0° |
| N27 | C26 | H47 | 109.1° | 109.4° |
| N27 | C26 | H48 | 109.1° | 109.4° |
| C26 | N27 | H5 | 109.4° | 111.0° |
| N27 | C28 | C29 | 110.7° | 109.5° |
| N27 | C28 | H51 | 109.2° | 109.5° |
| N27 | C28 | H50 | 109.1° | 109.5° |
| C28 | N27 | H5 | 109.4° | 111.0° |
| C28 | C29 | O30 | 110.5° | 109.5° |
| C29 | C28 | H51 | 109.2° | 109.5° |
| C29 | C28 | H50 | 109.2° | 109.5° |
| C28 | C29 | H53 | 109.3° | 109.5° |
| C28 | C29 | H52 | 109.2° | 109.5° |
| O30 | C29 | H53 | 109.2° | 109.5° |
| O30 | C29 | H52 | 109.2° | 109.5° |
| C29 | O30 | H54 | 109.5° | 114.0° |
| H41 | C13 | H39 | 109.4° | 109.5° |
| H41 | C13 | H40 | 109.5° | 109.5° |
| H39 | C13 | H40 | 109.5° | 109.5° |
| H47 | C26 | H48 | 109.5° | 109.5° |
| H51 | C28 | H50 | 109.5° | 109.5° |
| H53 | C29 | H52 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C09 | C10 | H37 | 180.0° | 180.0° |
| C09 | C08 | C07 | H36 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.3° | 0.0° |
| C09 | C08 | C07 | C04 | 179.0° | 180.0° |
| C09 | C08 | C07 | C12 | 1.4° | 0.4° |
| C08 | C09 | C10 | H38 | 179.7° | 180.0° |
| C10 | C09 | C08 | C07 | 1.2° | 0.1° |
| C09 | C10 | C11 | H38 | 180.0° | 180.0° |
| C09 | C10 | C11 | C14 | 179.4° | 180.0° |
| C09 | C10 | C11 | C12 | 0.5° | 0.3° |
| C10 | C09 | C08 | H36 | 178.7° | 180.0° |
| C08 | C07 | C04 | C12 | 177.5° | 179.7° |
| C08 | C07 | C12 | C11 | 0.7° | 0.6° |
| C08 | C07 | C04 | C05 | 66.4° | 130.3° |
| C08 | C07 | C04 | C03 | 110.0° | 49.7° |
| C08 | C07 | C12 | C13 | 178.3° | 179.7° |
| C07 | C08 | C09 | H37 | 178.8° | 180.0° |
| C10 | C11 | C12 | C07 | 0.3° | 0.6° |
| C10 | C11 | C14 | C12 | 178.8° | 179.7° |
| C10 | C11 | C14 | O15 | 27.4° | 0.3° |
| C10 | C11 | C14 | N18 | 178.7° | 180.0° |
| C10 | C11 | C12 | C13 | 179.3° | 179.8° |
| C11 | C10 | C09 | H37 | 179.8° | 180.0° |
| C04 | C07 | C12 | C11 | 178.1° | 179.7° |
| C07 | C04 | C05 | C03 | 176.3° | 180.0° |
| C07 | C04 | C05 | C06 | 178.8° | 179.8° |
| C04 | C07 | C12 | C13 | 0.9° | 0.1° |
| C07 | C04 | C03 | C02 | 179.1° | 180.0° |
| C07 | C04 | C03 | H33 | 0.9° | 0.1° |
| C07 | C04 | C05 | H34 | 1.2° | 0.0° |
| C04 | C07 | C08 | H36 | 0.9° | 0.1° |
| C07 | C12 | C11 | C14 | 179.1° | 179.7° |
| C07 | C12 | C11 | C13 | 178.9° | 179.7° |
| C12 | C07 | C04 | C05 | 116.1° | 50.0° |
| C12 | C07 | C04 | C03 | 67.6° | 129.9° |
| C12 | C07 | C08 | H36 | 178.5° | 179.7° |
| C07 | C12 | C13 | H41 | 90.5° | 90.0° |
| C07 | C12 | C13 | H39 | 149.5° | 150.0° |
| C07 | C12 | C13 | H40 | 29.5° | 30.0° |
| C11 | C14 | O15 | N18 | 157.9° | 179.8° |
| C11 | C14 | O15 | C16 | 162.2° | 180.0° |
| C14 | C11 | C12 | C13 | 2.0° | 0.0° |
| C11 | C14 | N18 | N17 | 158.6° | 180.0° |
| C14 | C11 | C10 | H38 | 0.6° | 0.0° |
| C12 | C11 | C14 | O15 | 151.4° | 180.0° |
| C12 | C11 | C14 | N18 | 0.1° | 0.3° |
| C12 | C11 | C10 | H38 | 179.5° | 179.8° |
| C11 | C12 | C13 | H41 | 90.6° | 89.7° |
| C11 | C12 | C13 | H39 | 29.4° | 30.3° |
| C11 | C12 | C13 | H40 | 149.4° | 150.3° |
| C14 | O15 | C16 | N19 | 175.3° | 179.9° |
| C14 | O15 | C16 | N17 | 18.0° | 0.2° |
| O15 | C14 | N18 | N17 | 46.1° | 0.2° |
| O15 | C16 | N19 | N17 | 151.8° | 179.9° |
| O15 | C16 | N19 | C20 | 143.6° | 174.2° |
| C16 | O15 | C14 | N18 | 39.9° | 0.2° |
| O15 | C16 | N17 | N18 | 9.7° | 0.1° |
| O15 | C16 | N19 | H42 | 36.4° | 5.9° |
| C16 | N19 | C20 | H42 | 180.0° | 180.0° |
| C16 | N19 | C20 | C21 | 165.8° | 29.4° |
| C16 | N19 | C20 | C25 | 14.5° | 150.9° |
| N19 | C16 | N17 | N18 | 145.7° | 180.0° |
| C20 | N19 | C16 | N17 | 8.2° | 5.8° |
| N19 | C20 | C21 | C25 | 179.7° | 179.7° |
| N19 | C20 | C21 | C22 | 179.7° | 179.7° |
| N19 | C20 | C25 | C24 | 179.7° | 179.7° |
| N19 | C20 | C21 | H43 | 0.3° | 0.4° |
| N19 | C20 | C25 | H46 | 0.3° | 0.2° |
| C04 | C05 | C06 | H34 | 180.0° | 179.8° |
| C05 | C04 | C03 | C02 | 2.7° | 0.1° |
| C04 | C05 | C06 | C01 | 1.1° | 0.5° |
| C05 | C04 | C03 | H33 | 177.3° | 180.0° |
| C04 | C05 | C06 | H35 | 178.9° | 180.0° |
| C06 | C05 | C04 | C03 | 2.5° | 0.2° |
| C05 | C06 | C01 | H35 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.0° | 0.5° |
| C05 | C06 | C01 | H31 | 180.0° | 179.7° |
| C14 | N18 | N17 | C16 | 35.0° | 0.1° |
| C04 | C03 | C02 | H33 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 1.6° | 0.0° |
| C04 | C03 | C02 | H32 | 178.4° | 180.0° |
| C03 | C04 | C05 | H34 | 177.5° | 180.0° |
| C12 | C13 | H41 | H39 | 120.0° | 120.0° |
| C12 | C13 | H41 | H40 | 120.0° | 120.0° |
| C12 | C13 | H39 | H40 | 120.0° | 120.0° |
| N17 | C16 | N19 | H42 | 171.8° | 174.2° |
| C03 | C02 | C01 | C06 | 0.2° | 0.2° |
| C03 | C02 | C01 | H32 | 180.0° | 180.0° |
| C03 | C02 | C01 | H31 | 179.8° | 180.0° |
| C06 | C01 | C02 | H31 | 180.0° | 179.7° |
| C06 | C01 | C02 | H32 | 179.8° | 179.7° |
| C01 | C06 | C05 | H34 | 178.9° | 179.7° |
| C20 | C21 | C22 | H43 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.1° |
| C20 | C21 | C22 | H44 | 180.0° | 179.9° |
| C21 | C20 | C25 | H46 | 179.9° | 179.9° |
| C21 | C20 | N19 | H42 | 14.2° | 150.6° |
| C22 | C21 | C20 | C25 | 0.1° | 0.1° |
| C21 | C22 | C23 | H44 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | H45 | 179.9° | 180.0° |
| C20 | C25 | C24 | H46 | 180.0° | 180.0° |
| C20 | C25 | C24 | C23 | 0.0° | 0.0° |
| C20 | C25 | C24 | C26 | 179.3° | 180.0° |
| C25 | C20 | C21 | H43 | 179.9° | 180.0° |
| C25 | C20 | N19 | H42 | 165.4° | 29.0° |
| C01 | C02 | C03 | H33 | 178.4° | 179.9° |
| C02 | C01 | C06 | H35 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C22 | C23 | C24 | H45 | 180.0° | 180.0° |
| C22 | C23 | C24 | C26 | 179.4° | 180.0° |
| C23 | C22 | C21 | H43 | 179.9° | 179.9° |
| C25 | C24 | C23 | C26 | 179.2° | 180.0° |
| C25 | C24 | C26 | N27 | 102.1° | 90.0° |
| C25 | C24 | C23 | H45 | 179.9° | 180.0° |
| C25 | C24 | C26 | H47 | 137.7° | 29.9° |
| C25 | C24 | C26 | H48 | 18.2° | 150.0° |
| C23 | C24 | C26 | N27 | 78.7° | 90.0° |
| C24 | C23 | C22 | H44 | 179.9° | 180.0° |
| C23 | C24 | C25 | H46 | 180.0° | 180.0° |
| C23 | C24 | C26 | H47 | 41.5° | 150.0° |
| C23 | C24 | C26 | H48 | 161.0° | 30.0° |
| C24 | C26 | N27 | H47 | 120.2° | 120.0° |
| C24 | C26 | N27 | H48 | 120.2° | 120.1° |
| C24 | C26 | N27 | C28 | 165.6° | 180.0° |
| C26 | C24 | C23 | H45 | 0.7° | 0.0° |
| C26 | C24 | C25 | H46 | 0.7° | 0.1° |
| C24 | C26 | H47 | H48 | 119.3° | 120.1° |
| C24 | C26 | N27 | H5 | 45.6° | 56.1° |
| C26 | N27 | C28 | H5 | 120.1° | 124.0° |
| C26 | N27 | C28 | C29 | 60.4° | 180.0° |
| N27 | C26 | H47 | H48 | 119.3° | 119.9° |
| C26 | N27 | C28 | H51 | 59.8° | 60.0° |
| C26 | N27 | C28 | H50 | 179.4° | 60.0° |
| N27 | C28 | C29 | H51 | 120.2° | 120.0° |
| N27 | C28 | C29 | H50 | 120.2° | 120.0° |
| N27 | C28 | C29 | O30 | 82.7° | 65.0° |
| C28 | N27 | C26 | H47 | 74.2° | 60.0° |
| C28 | N27 | C26 | H48 | 45.3° | 60.0° |
| N27 | C28 | H51 | H50 | 119.4° | 120.0° |
| N27 | C28 | C29 | H53 | 157.2° | 175.0° |
| N27 | C28 | C29 | H52 | 37.5° | 55.0° |
| C28 | C29 | O30 | H53 | 120.2° | 120.0° |
| C28 | C29 | O30 | H52 | 120.2° | 120.0° |
| C29 | C28 | H51 | H50 | 119.5° | 120.0° |
| C28 | C29 | H53 | H52 | 119.5° | 120.0° |
| C29 | C28 | N27 | H5 | 179.6° | 56.0° |
| C28 | C29 | O30 | H54 | 180.0° | 180.0° |
| O30 | C29 | C28 | H51 | 37.5° | 175.0° |
| O30 | C29 | C28 | H50 | 157.2° | 55.0° |
| O30 | C29 | H53 | H52 | 119.5° | 120.0° |
| H31 | C01 | C02 | H32 | 0.2° | 0.0° |
| H31 | C01 | C06 | H35 | 0.0° | 0.2° |
| H32 | C02 | C03 | H33 | 1.5° | 0.1° |
| H34 | C05 | C06 | H35 | 1.1° | 0.2° |
| H36 | C08 | C09 | H37 | 1.2° | 0.1° |
| H37 | C09 | C10 | H38 | 0.3° | 0.1° |
| H41 | C13 | H39 | H40 | 120.0° | 120.0° |
| H43 | C21 | C22 | H44 | 0.0° | 0.0° |
| H44 | C22 | C23 | H45 | 0.1° | 0.0° |
| H47 | C26 | N27 | H5 | 165.8° | 176.1° |
| H48 | C26 | N27 | H5 | 74.7° | 64.0° |
| H51 | C28 | C29 | H53 | 82.6° | 55.0° |
| H51 | C28 | C29 | H52 | 157.7° | 65.0° |
| H51 | C28 | N27 | H5 | 60.2° | 63.9° |
| H50 | C28 | C29 | H53 | 37.0° | 65.0° |
| H50 | C28 | C29 | H52 | 82.7° | 175.0° |
| H50 | C28 | N27 | H5 | 59.4° | 176.0° |
| H53 | C29 | O30 | H54 | 59.8° | 60.0° |
| H52 | C29 | O30 | H54 | 59.8° | 60.0° |
