HYE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O21 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C3 | C4 | sing | 1.55Å | 1.57Å | |
| C3 | C19 | sing | 1.51Å | 1.52Å | |
| C4 | C6 | sing | 1.53Å | 1.56Å | |
| C4 | C7 | sing | 1.55Å | 1.61Å | |
| C4 | O5 | sing | 1.43Å | 1.45Å | |
| C19 | O20 | doub | 1.21Å | 1.21Å | |
| C19 | N18 | sing | 1.34Å | 1.36Å | |
| N18 | C7 | sing | 1.47Å | 1.45Å | |
| C7 | C16 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.59Å | |
| C16 | O17 | doub | 1.21Å | 1.20Å | |
| C8 | O15 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.61Å | |
| C9 | C14 | sing | 1.53Å | 1.58Å | |
| C9 | C10 | sing | 1.50Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.57Å | |
| C12 | C11 | sing | 1.50Å | 1.54Å | |
| C11 | C10 | doub | 1.30Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O21 | 107.0° | 109.5° |
| C1 | C2 | C3 | 117.2° | 109.5° |
| C2 | C1 | H1 | 110.3° | 109.5° |
| C2 | C1 | H1A | 110.8° | 109.4° |
| C1 | C2 | H2 | 107.0° | 109.5° |
| C1 | C2 | H2A | 105.2° | 109.5° |
| O21 | C1 | H1 | 110.3° | 109.5° |
| O21 | C1 | H1A | 110.8° | 109.4° |
| C1 | O21 | HO21 | 109.5° | 114.0° |
| C2 | C3 | C4 | 113.5° | 110.5° |
| C2 | C3 | C19 | 114.0° | 110.5° |
| C3 | C2 | H2 | 107.0° | 109.4° |
| C3 | C2 | H2A | 105.2° | 109.5° |
| C2 | C3 | H3 | 101.4° | 110.4° |
| C4 | C3 | C19 | 101.9° | 104.2° |
| C3 | C4 | C6 | 109.7° | 111.0° |
| C3 | C4 | C7 | 107.6° | 101.8° |
| C3 | C4 | O5 | 107.5° | 111.0° |
| C4 | C3 | H3 | 113.6° | 110.5° |
| C3 | C19 | O20 | 125.2° | 124.9° |
| C3 | C19 | N18 | 111.8° | 110.1° |
| C19 | C3 | H3 | 113.0° | 110.6° |
| C6 | C4 | C7 | 115.0° | 110.9° |
| C6 | C4 | O5 | 109.5° | 110.8° |
| C4 | C6 | H6 | 109.5° | 109.5° |
| C4 | C6 | H6A | 109.5° | 109.5° |
| C4 | C6 | H6B | 109.5° | 109.5° |
| C7 | C4 | O5 | 107.4° | 111.0° |
| C4 | C7 | N18 | 101.3° | 105.4° |
| C4 | C7 | C16 | 108.7° | 110.3° |
| C4 | C7 | C8 | 118.1° | 110.2° |
| C4 | O5 | HO5 | 109.5° | 114.0° |
| O20 | C19 | N18 | 123.1° | 124.9° |
| C19 | N18 | C7 | 116.1° | 111.3° |
| C19 | N18 | HN18 | 122.0° | 124.3° |
| N18 | C7 | C16 | 107.8° | 110.2° |
| N18 | C7 | C8 | 107.4° | 110.3° |
| C7 | N18 | HN18 | 122.0° | 124.3° |
| C16 | C7 | C8 | 112.5° | 110.3° |
| C7 | C16 | O17 | 119.7° | 120.0° |
| C7 | C16 | H16 | 120.1° | 120.0° |
| C7 | C8 | O15 | 112.4° | 109.5° |
| C7 | C8 | C9 | 118.8° | 109.4° |
| C7 | C8 | H8 | 98.8° | 109.5° |
| O17 | C16 | H16 | 120.1° | 120.0° |
| O15 | C8 | C9 | 103.2° | 109.5° |
| O15 | C8 | H8 | 115.6° | 109.5° |
| C8 | O15 | HO15 | 109.5° | 114.0° |
| C8 | C9 | C14 | 116.2° | 109.4° |
| C8 | C9 | C10 | 110.1° | 109.4° |
| C9 | C8 | H8 | 108.7° | 109.5° |
| C8 | C9 | H9 | 103.5° | 109.4° |
| C14 | C9 | C10 | 107.0° | 110.1° |
| C9 | C14 | C13 | 110.4° | 108.5° |
| C14 | C9 | H9 | 106.9° | 109.3° |
| C9 | C14 | H14 | 109.2° | 109.6° |
| C9 | C14 | H14A | 109.0° | 109.6° |
| C9 | C10 | C11 | 123.9° | 124.1° |
| C10 | C9 | H9 | 113.3° | 109.2° |
| C9 | C10 | H10 | 118.0° | 118.0° |
| C14 | C13 | C12 | 108.2° | 108.5° |
| C13 | C14 | H14 | 109.2° | 109.7° |
| C13 | C14 | H14A | 108.9° | 109.6° |
| C14 | C13 | H13 | 109.9° | 109.7° |
| C14 | C13 | H13A | 110.2° | 109.6° |
| C13 | C12 | C11 | 112.2° | 110.1° |
| C12 | C13 | H13 | 109.9° | 109.6° |
| C12 | C13 | H13A | 110.2° | 109.6° |
| C13 | C12 | H12 | 108.6° | 109.4° |
| C13 | C12 | H12A | 107.9° | 109.3° |
| C12 | C11 | C10 | 123.8° | 124.1° |
| C11 | C12 | H12 | 108.6° | 109.3° |
| C11 | C12 | H12A | 107.9° | 109.3° |
| C12 | C11 | H11 | 118.1° | 118.0° |
| C10 | C11 | H11 | 118.1° | 118.0° |
| C11 | C10 | H10 | 118.1° | 117.9° |
| H1 | C1 | H1A | 107.6° | 109.5° |
| H2 | C2 | H2A | 115.7° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H14 | C14 | H14A | 110.2° | 109.8° |
| H13 | C13 | H13A | 108.5° | 109.8° |
| H12 | C12 | H12A | 111.7° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O21 | H1 | 120.0° | 120.0° |
| C2 | C1 | O21 | H1A | 120.9° | 119.9° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 116.4° | 120.1° |
| C1 | C2 | C3 | C4 | 179.8° | 175.0° |
| C1 | C2 | C3 | C19 | 64.1° | 70.2° |
| C2 | C1 | H1 | H1A | 121.0° | 120.0° |
| C1 | C2 | H2 | H2A | 116.8° | 120.0° |
| C1 | C2 | C3 | H3 | 57.6° | 52.5° |
| C2 | C1 | O21 | HO21 | 47.1° | 180.0° |
| O21 | C1 | C2 | C3 | 177.1° | 180.0° |
| O21 | C1 | H1 | H1A | 121.0° | 120.0° |
| O21 | C1 | C2 | H2 | 62.9° | 60.1° |
| O21 | C1 | C2 | H2A | 60.7° | 59.9° |
| C2 | C3 | C4 | C19 | 123.0° | 118.7° |
| C2 | C3 | C4 | H3 | 115.1° | 122.5° |
| C2 | C3 | C19 | H3 | 115.1° | 122.6° |
| C2 | C3 | C4 | C6 | 100.3° | 98.4° |
| C2 | C3 | C4 | C7 | 134.0° | 143.5° |
| C2 | C3 | C4 | O5 | 18.6° | 25.3° |
| C2 | C3 | C19 | O20 | 49.6° | 45.0° |
| C2 | C3 | C19 | N18 | 129.6° | 134.9° |
| C3 | C2 | C1 | H1 | 62.9° | 60.0° |
| C3 | C2 | C1 | H1A | 56.1° | 60.1° |
| C3 | C2 | H2 | H2A | 116.8° | 120.0° |
| C4 | C3 | C19 | H3 | 122.3° | 118.7° |
| C3 | C4 | C6 | C7 | 121.3° | 112.4° |
| C3 | C4 | C6 | O5 | 117.7° | 123.8° |
| C3 | C4 | C7 | O5 | 115.4° | 118.2° |
| C4 | C3 | C19 | O20 | 172.2° | 163.7° |
| C4 | C3 | C19 | N18 | 6.9° | 16.2° |
| C3 | C4 | C7 | N18 | 11.1° | 25.4° |
| C3 | C4 | C7 | C16 | 124.5° | 144.4° |
| C3 | C4 | C7 | C8 | 105.7° | 93.6° |
| C4 | C3 | C2 | H2 | 60.2° | 65.0° |
| C4 | C3 | C2 | H2A | 63.4° | 55.0° |
| C3 | C4 | C6 | H6 | 150.2° | 58.5° |
| C3 | C4 | C6 | H6A | 30.2° | 178.5° |
| C3 | C4 | C6 | H6B | 89.8° | 61.4° |
| C3 | C4 | O5 | HO5 | 124.6° | 61.4° |
| C19 | C3 | C4 | C6 | 136.7° | 142.9° |
| C19 | C3 | C4 | C7 | 10.9° | 24.8° |
| C19 | C3 | C4 | O5 | 104.4° | 93.4° |
| C3 | C19 | O20 | N18 | 179.1° | 179.9° |
| C3 | C19 | N18 | C7 | 0.4° | 0.5° |
| C19 | C3 | C2 | H2 | 55.9° | 49.8° |
| C19 | C3 | C2 | H2A | 179.5° | 169.8° |
| C3 | C19 | N18 | HN18 | 179.6° | 179.6° |
| C6 | C4 | C7 | O5 | 122.1° | 123.7° |
| C6 | C4 | C7 | N18 | 133.6° | 143.6° |
| C6 | C4 | C7 | C16 | 113.0° | 97.4° |
| C6 | C4 | C7 | C8 | 16.7° | 24.6° |
| C6 | C4 | C3 | H3 | 14.8° | 24.1° |
| C4 | C6 | H6 | H6A | 120.0° | 120.0° |
| C4 | C6 | H6 | H6B | 120.0° | 120.0° |
| C4 | C6 | H6A | H6B | 120.0° | 120.0° |
| C6 | C4 | O5 | HO5 | 116.3° | 62.4° |
| C4 | C7 | N18 | C19 | 7.3° | 17.1° |
| C4 | C7 | N18 | C16 | 114.1° | 119.0° |
| C4 | C7 | N18 | C8 | 124.5° | 119.0° |
| C4 | C7 | C16 | C8 | 132.8° | 122.0° |
| C4 | C7 | C16 | O17 | 119.8° | 120.0° |
| C4 | C7 | C8 | O15 | 44.0° | 55.8° |
| C4 | C7 | C8 | C9 | 164.5° | 175.8° |
| C7 | C4 | C3 | H3 | 110.9° | 94.0° |
| C7 | C4 | C6 | H6 | 88.5° | 53.9° |
| C7 | C4 | C6 | H6A | 151.5° | 66.1° |
| C7 | C4 | C6 | H6B | 31.5° | 173.8° |
| C4 | C7 | N18 | HN18 | 172.7° | 163.0° |
| C4 | C7 | C16 | H16 | 60.2° | 59.9° |
| C4 | C7 | C8 | H8 | 78.4° | 64.3° |
| C7 | C4 | O5 | HO5 | 9.2° | 173.8° |
| O5 | C4 | C7 | N18 | 104.3° | 92.7° |
| O5 | C4 | C7 | C16 | 9.1° | 26.2° |
| O5 | C4 | C7 | C8 | 138.8° | 148.3° |
| O5 | C4 | C3 | H3 | 133.7° | 147.8° |
| O5 | C4 | C6 | H6 | 32.5° | 177.7° |
| O5 | C4 | C6 | H6A | 87.5° | 57.7° |
| O5 | C4 | C6 | H6B | 152.5° | 62.4° |
| O20 | C19 | N18 | C7 | 179.6° | 179.6° |
| O20 | C19 | C3 | H3 | 65.5° | 77.5° |
| O20 | C19 | N18 | HN18 | 0.4° | 0.3° |
| C19 | N18 | C7 | HN18 | 180.0° | 179.9° |
| C19 | N18 | C7 | C16 | 121.4° | 136.0° |
| C19 | N18 | C7 | C8 | 117.2° | 101.9° |
| N18 | C19 | C3 | H3 | 115.4° | 102.5° |
| N18 | C7 | C16 | C8 | 118.2° | 122.0° |
| N18 | C7 | C16 | O17 | 10.8° | 124.0° |
| N18 | C7 | C8 | O15 | 69.6° | 60.2° |
| N18 | C7 | C8 | C9 | 50.9° | 59.8° |
| N18 | C7 | C16 | H16 | 169.2° | 56.0° |
| N18 | C7 | C8 | H8 | 168.0° | 179.7° |
| C7 | C16 | O17 | H16 | 180.0° | 180.0° |
| C16 | C7 | C8 | O15 | 172.0° | 177.8° |
| C16 | C7 | C8 | C9 | 67.5° | 62.2° |
| C16 | C7 | N18 | HN18 | 58.6° | 44.0° |
| C16 | C7 | C8 | H8 | 49.6° | 57.8° |
| C8 | C7 | C16 | O17 | 107.4° | 2.0° |
| C7 | C8 | O15 | C9 | 129.1° | 120.0° |
| C7 | C8 | O15 | H8 | 112.3° | 120.0° |
| C7 | C8 | C9 | H8 | 111.7° | 120.0° |
| C7 | C8 | C9 | C14 | 53.9° | 166.2° |
| C7 | C8 | C9 | C10 | 175.7° | 73.2° |
| C8 | C7 | N18 | HN18 | 62.9° | 78.0° |
| C8 | C7 | C16 | H16 | 72.6° | 178.1° |
| C7 | C8 | O15 | HO15 | 37.9° | 60.0° |
| C7 | C8 | C9 | H9 | 62.9° | 46.5° |
| O15 | C8 | C9 | H8 | 123.2° | 120.0° |
| O15 | C8 | C9 | C14 | 179.0° | 73.8° |
| O15 | C8 | C9 | C10 | 59.2° | 46.8° |
| O15 | C8 | C9 | H9 | 62.2° | 166.5° |
| C8 | C9 | C14 | C10 | 123.5° | 120.2° |
| C8 | C9 | C14 | H9 | 114.9° | 119.8° |
| C8 | C9 | C10 | H9 | 115.4° | 119.7° |
| C8 | C9 | C14 | C13 | 179.3° | 169.6° |
| C8 | C9 | C10 | C11 | 149.6° | 137.3° |
| C9 | C8 | O15 | HO15 | 167.0° | 60.0° |
| C8 | C9 | C14 | H14 | 60.7° | 70.6° |
| C8 | C9 | C14 | H14A | 59.7° | 50.0° |
| C8 | C9 | C10 | H10 | 30.4° | 42.6° |
| C14 | C9 | C10 | H9 | 117.5° | 120.1° |
| C9 | C14 | C13 | H14 | 120.0° | 119.7° |
| C9 | C14 | C13 | H14A | 119.6° | 119.6° |
| C9 | C14 | C13 | C12 | 67.2° | 67.4° |
| C14 | C9 | C10 | C11 | 22.5° | 17.1° |
| C14 | C9 | C8 | H8 | 57.8° | 46.2° |
| C9 | C14 | H14 | H14A | 119.6° | 120.5° |
| C9 | C14 | C13 | H13 | 52.7° | 52.3° |
| C9 | C14 | C13 | H13A | 172.3° | 172.9° |
| C14 | C9 | C10 | H10 | 157.6° | 162.8° |
| C10 | C9 | C14 | C13 | 55.8° | 49.4° |
| C9 | C10 | C11 | C12 | 0.1° | 0.5° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C10 | C9 | C8 | H8 | 64.0° | 166.8° |
| C10 | C9 | C14 | H14 | 175.8° | 169.1° |
| C10 | C9 | C14 | H14A | 63.8° | 70.2° |
| C9 | C10 | C11 | H11 | 179.9° | 179.5° |
| C14 | C13 | C12 | H13 | 120.0° | 119.7° |
| C14 | C13 | C12 | H13A | 120.5° | 119.7° |
| C14 | C13 | C12 | C11 | 41.6° | 49.4° |
| C13 | C14 | C9 | H9 | 65.8° | 70.6° |
| C13 | C14 | H14 | H14A | 119.6° | 120.5° |
| C14 | C13 | H13 | H13A | 120.6° | 120.5° |
| C14 | C13 | C12 | H12 | 161.7° | 169.6° |
| C14 | C13 | C12 | H12A | 77.2° | 70.7° |
| C13 | C12 | C11 | H12 | 120.0° | 120.2° |
| C13 | C12 | C11 | H12A | 118.8° | 120.2° |
| C13 | C12 | C11 | C10 | 9.5° | 17.1° |
| C12 | C13 | C14 | H14 | 172.8° | 172.9° |
| C12 | C13 | C14 | H14A | 52.4° | 52.2° |
| C12 | C13 | H13 | H13A | 120.5° | 120.5° |
| C13 | C12 | H12 | H12A | 118.9° | 119.7° |
| C13 | C12 | C11 | H11 | 170.4° | 162.9° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 78.4° | 70.3° |
| C11 | C12 | C13 | H13A | 162.2° | 169.1° |
| C11 | C12 | H12 | H12A | 118.9° | 119.7° |
| C12 | C11 | C10 | H10 | 179.9° | 179.5° |
| C11 | C10 | C9 | H9 | 95.1° | 103.0° |
| C10 | C11 | C12 | H12 | 129.5° | 137.3° |
| C10 | C11 | C12 | H12A | 109.3° | 103.0° |
| H1 | C1 | C2 | H2 | 57.1° | 60.0° |
| H1 | C1 | C2 | H2A | 179.3° | 180.0° |
| H1 | C1 | O21 | HO21 | 72.9° | 60.0° |
| H1A | C1 | C2 | H2 | 176.2° | 180.0° |
| H1A | C1 | C2 | H2A | 60.3° | 60.0° |
| H1A | C1 | O21 | HO21 | 168.1° | 60.0° |
| H2 | C2 | C3 | H3 | 177.7° | 172.5° |
| H2A | C2 | C3 | H3 | 58.8° | 67.6° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| H8 | C8 | O15 | HO15 | 74.5° | 180.0° |
| H8 | C8 | C9 | H9 | 174.6° | 73.5° |
| H9 | C9 | C14 | H14 | 54.2° | 49.1° |
| H9 | C9 | C14 | H14A | 174.6° | 169.7° |
| H9 | C9 | C10 | H10 | 84.9° | 77.1° |
| H14 | C14 | C13 | H13 | 67.2° | 67.4° |
| H14 | C14 | C13 | H13A | 52.3° | 53.2° |
| H14A | C14 | C13 | H13 | 172.4° | 171.9° |
| H14A | C14 | C13 | H13A | 68.1° | 67.5° |
| H13 | C13 | C12 | H12 | 41.7° | 49.9° |
| H13 | C13 | C12 | H12A | 162.9° | 169.6° |
| H13A | C13 | C12 | H12 | 77.8° | 70.7° |
| H13A | C13 | C12 | H12A | 43.4° | 49.0° |
| H12 | C12 | C11 | H11 | 50.4° | 42.7° |
| H12A | C12 | C11 | H11 | 70.8° | 77.0° |
| H11 | C11 | C10 | H10 | 0.1° | 0.5° |
