KZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.41Å | 1.55Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | doub | 1.31Å | 1.36Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C12 | C11 | doub | 1.36Å | 1.36Å | |
| C11 | C10 | sing | 1.46Å | 1.50Å | |
| C10 | C9 | doub | 1.34Å | 1.33Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | sing | 1.34Å | 1.27Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C13 | C14 | 120.2° | 120.0° |
| O3 | C13 | C12 | 121.9° | 120.0° |
| C14 | C13 | C12 | 117.7° | 120.0° |
| C13 | C14 | C15 | 113.0° | 109.5° |
| C13 | C14 | H141 | 108.6° | 109.4° |
| C13 | C14 | H142 | 108.6° | 109.5° |
| C13 | C12 | C11 | 124.9° | 120.0° |
| C13 | C12 | H12 | 117.6° | 120.1° |
| C14 | C15 | C16 | 123.1° | 120.0° |
| C15 | C14 | H141 | 108.6° | 109.5° |
| C15 | C14 | H142 | 108.6° | 109.5° |
| C14 | C15 | H15 | 118.4° | 120.0° |
| C15 | C16 | C17 | 119.5° | 120.0° |
| C16 | C15 | H15 | 118.4° | 120.0° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| C16 | C17 | C18 | 116.0° | 109.5° |
| C17 | C16 | H16 | 120.2° | 120.0° |
| C16 | C17 | H171 | 107.8° | 109.4° |
| C16 | C17 | H172 | 107.8° | 109.5° |
| C18 | C17 | H171 | 107.8° | 109.4° |
| C18 | C17 | H172 | 107.8° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C12 | C11 | C10 | 118.1° | 120.0° |
| C11 | C12 | H12 | 117.5° | 120.0° |
| C12 | C11 | H11 | 121.0° | 120.0° |
| C11 | C10 | C9 | 121.5° | 120.0° |
| C10 | C11 | H11 | 121.0° | 120.0° |
| C11 | C10 | H10 | 119.2° | 120.0° |
| C10 | C9 | C8 | 122.5° | 120.0° |
| C9 | C10 | H10 | 119.2° | 120.0° |
| C10 | C9 | H9 | 118.8° | 120.0° |
| C9 | C8 | C7 | 116.0° | 109.5° |
| C8 | C9 | H9 | 118.7° | 120.0° |
| C9 | C8 | H81C | 107.8° | 109.5° |
| C9 | C8 | H82C | 107.8° | 109.5° |
| C8 | C7 | C6 | 115.5° | 109.5° |
| C7 | C8 | H81C | 107.8° | 109.4° |
| C7 | C8 | H82C | 107.8° | 109.4° |
| C8 | C7 | H71C | 107.9° | 109.4° |
| C8 | C7 | H72C | 107.9° | 109.4° |
| C7 | C6 | C5 | 112.0° | 109.4° |
| C6 | C7 | H71C | 107.9° | 109.5° |
| C6 | C7 | H72C | 108.0° | 109.5° |
| C7 | C6 | H61C | 108.8° | 109.5° |
| C7 | C6 | H62C | 108.8° | 109.5° |
| C6 | C5 | C4 | 111.9° | 109.5° |
| C5 | C6 | H61C | 108.8° | 109.5° |
| C5 | C6 | H62C | 108.8° | 109.4° |
| C6 | C5 | H51C | 108.9° | 109.5° |
| C6 | C5 | H52C | 108.9° | 109.5° |
| C5 | C4 | C3 | 111.6° | 109.5° |
| C4 | C5 | H51C | 108.9° | 109.4° |
| C4 | C5 | H52C | 108.9° | 109.4° |
| C5 | C4 | H41C | 108.9° | 109.4° |
| C5 | C4 | H42C | 108.9° | 109.5° |
| C4 | C3 | C2 | 115.4° | 109.5° |
| C3 | C4 | H41C | 108.9° | 109.5° |
| C3 | C4 | H42C | 108.9° | 109.5° |
| C4 | C3 | H31C | 108.0° | 109.5° |
| C4 | C3 | H32C | 108.0° | 109.5° |
| C3 | C2 | C1 | 112.4° | 109.5° |
| C2 | C3 | H31C | 108.0° | 109.4° |
| C2 | C3 | H32C | 108.0° | 109.4° |
| C3 | C2 | H21C | 108.7° | 109.4° |
| C3 | C2 | H22C | 108.7° | 109.4° |
| C2 | C1 | O1 | 122.9° | 120.0° |
| C2 | C1 | O2 | 117.3° | 120.0° |
| C1 | C2 | H21C | 108.7° | 109.5° |
| C1 | C2 | H22C | 108.7° | 109.5° |
| O1 | C1 | O2 | 119.7° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H81C | C8 | H82C | 109.4° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C13 | C14 | C12 | 176.0° | 179.7° |
| O3 | C13 | C14 | C15 | 41.3° | 0.0° |
| O3 | C13 | C12 | C11 | 47.9° | 0.0° |
| O3 | C13 | C14 | H141 | 79.2° | 120.0° |
| O3 | C13 | C14 | H142 | 161.9° | 120.0° |
| O3 | C13 | C12 | H12 | 132.1° | 180.0° |
| C13 | C14 | C15 | H141 | 120.5° | 120.0° |
| C13 | C14 | C15 | H142 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 113.2° | 127.6° |
| C14 | C13 | C12 | C11 | 128.1° | 179.7° |
| C13 | C14 | H141 | H142 | 118.3° | 120.0° |
| C14 | C13 | C12 | H12 | 51.9° | 0.3° |
| C13 | C14 | C15 | H15 | 66.9° | 52.4° |
| C12 | C13 | C14 | C15 | 134.7° | 179.7° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 130.3° | 180.0° |
| C12 | C13 | C14 | H141 | 104.7° | 59.7° |
| C12 | C13 | C14 | H142 | 14.2° | 60.3° |
| C13 | C12 | C11 | H11 | 49.7° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 88.2° | 7.6° |
| C15 | C14 | H141 | H142 | 118.4° | 120.0° |
| C14 | C15 | C16 | H16 | 91.9° | 172.4° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 139.6° | 126.4° |
| C16 | C15 | C14 | H141 | 126.3° | 7.6° |
| C16 | C15 | C14 | H142 | 7.4° | 112.4° |
| C15 | C16 | C17 | H171 | 99.4° | 113.7° |
| C15 | C16 | C17 | H172 | 18.7° | 6.3° |
| C16 | C17 | C18 | H171 | 121.0° | 120.0° |
| C16 | C17 | C18 | H172 | 121.0° | 120.1° |
| C17 | C16 | C15 | H15 | 91.8° | 172.5° |
| C16 | C17 | H171 | H172 | 117.0° | 120.0° |
| C16 | C17 | C18 | H181 | 180.0° | 180.0° |
| C16 | C17 | C18 | H182 | 60.0° | 60.0° |
| C16 | C17 | C18 | H183 | 60.0° | 60.0° |
| C18 | C17 | C16 | H16 | 40.4° | 53.6° |
| C18 | C17 | H171 | H172 | 117.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.1° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 132.6° | 180.0° |
| C12 | C11 | C10 | H10 | 47.4° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 110.0° | 180.0° |
| C10 | C11 | C12 | H12 | 49.7° | 0.0° |
| C11 | C10 | C9 | H9 | 70.0° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 124.5° | 125.0° |
| C9 | C10 | C11 | H11 | 47.4° | 0.0° |
| C10 | C9 | C8 | H81C | 114.5° | 115.0° |
| C10 | C9 | C8 | H82C | 3.5° | 5.1° |
| C9 | C8 | C7 | H81C | 120.9° | 120.0° |
| C9 | C8 | C7 | H82C | 121.0° | 120.0° |
| C9 | C8 | C7 | C6 | 117.4° | 180.0° |
| C8 | C9 | C10 | H10 | 70.0° | 0.0° |
| C9 | C8 | H81C | H82C | 117.0° | 120.1° |
| C9 | C8 | C7 | H71C | 121.7° | 60.0° |
| C9 | C8 | C7 | H72C | 3.5° | 60.0° |
| C8 | C7 | C6 | H71C | 120.9° | 120.0° |
| C8 | C7 | C6 | H72C | 120.9° | 120.0° |
| C8 | C7 | C6 | C5 | 134.3° | 180.0° |
| C7 | C8 | C9 | H9 | 55.5° | 55.0° |
| C7 | C8 | H81C | H82C | 117.1° | 119.9° |
| C8 | C7 | H71C | H72C | 117.2° | 119.9° |
| C8 | C7 | C6 | H61C | 105.3° | 60.0° |
| C8 | C7 | C6 | H62C | 13.9° | 60.1° |
| C7 | C6 | C5 | H61C | 120.4° | 120.0° |
| C7 | C6 | C5 | H62C | 120.4° | 120.0° |
| C7 | C6 | C5 | C4 | 166.3° | 180.0° |
| C6 | C7 | C8 | H81C | 3.5° | 60.0° |
| C6 | C7 | C8 | H82C | 121.6° | 60.0° |
| C6 | C7 | H71C | H72C | 117.3° | 120.1° |
| C7 | C6 | H61C | H62C | 118.8° | 120.0° |
| C7 | C6 | C5 | H51C | 73.4° | 60.0° |
| C7 | C6 | C5 | H52C | 45.9° | 60.1° |
| C6 | C5 | C4 | H51C | 120.4° | 120.0° |
| C6 | C5 | C4 | H52C | 120.4° | 120.0° |
| C6 | C5 | C4 | C3 | 166.8° | 180.0° |
| C5 | C6 | C7 | H71C | 13.5° | 60.0° |
| C5 | C6 | C7 | H72C | 104.8° | 60.1° |
| C5 | C6 | H61C | H62C | 118.8° | 120.0° |
| C6 | C5 | H51C | H52C | 118.9° | 120.0° |
| C6 | C5 | C4 | H41C | 72.9° | 60.0° |
| C6 | C5 | C4 | H42C | 46.5° | 60.0° |
| C5 | C4 | C3 | H41C | 120.3° | 120.0° |
| C5 | C4 | C3 | H42C | 120.3° | 120.0° |
| C5 | C4 | C3 | C2 | 111.6° | 180.0° |
| C4 | C5 | C6 | H61C | 45.9° | 60.0° |
| C4 | C5 | C6 | H62C | 73.3° | 60.0° |
| C4 | C5 | H51C | H52C | 118.9° | 120.0° |
| C5 | C4 | H41C | H42C | 119.0° | 120.0° |
| C5 | C4 | C3 | H31C | 127.5° | 60.0° |
| C5 | C4 | C3 | H32C | 9.3° | 60.0° |
| C4 | C3 | C2 | H31C | 120.9° | 120.0° |
| C4 | C3 | C2 | H32C | 120.9° | 120.0° |
| C4 | C3 | C2 | C1 | 168.9° | 180.0° |
| C3 | C4 | C5 | H51C | 46.5° | 60.0° |
| C3 | C4 | C5 | H52C | 72.8° | 60.0° |
| C3 | C4 | H41C | H42C | 119.0° | 120.0° |
| C4 | C3 | H31C | H32C | 117.3° | 120.1° |
| C4 | C3 | C2 | H21C | 70.7° | 60.0° |
| C4 | C3 | C2 | H22C | 48.4° | 60.0° |
| C3 | C2 | C1 | H21C | 120.4° | 120.0° |
| C3 | C2 | C1 | H22C | 120.4° | 119.9° |
| C3 | C2 | C1 | O1 | 26.3° | 180.0° |
| C3 | C2 | C1 | O2 | 155.0° | 0.0° |
| C2 | C3 | C4 | H41C | 8.7° | 60.0° |
| C2 | C3 | C4 | H42C | 128.1° | 60.0° |
| C2 | C3 | H31C | H32C | 117.3° | 119.9° |
| C3 | C2 | H21C | H22C | 118.6° | 120.0° |
| C2 | C1 | O1 | O2 | 178.7° | 180.0° |
| C1 | C2 | C3 | H31C | 48.0° | 60.0° |
| C1 | C2 | C3 | H32C | 70.2° | 60.0° |
| C1 | C2 | H21C | H22C | 118.7° | 120.1° |
| C2 | C1 | O1 | H1 | 178.7° | 180.0° |
| O1 | C1 | C2 | H21C | 146.7° | 60.0° |
| O1 | C1 | C2 | H22C | 94.1° | 60.1° |
| O2 | C1 | C2 | H21C | 34.5° | 120.0° |
| O2 | C1 | C2 | H22C | 84.6° | 119.9° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| H141 | C14 | C15 | H15 | 53.7° | 172.4° |
| H142 | C14 | C15 | H15 | 172.6° | 67.7° |
| H12 | C12 | C11 | H11 | 130.3° | 180.0° |
| H15 | C15 | C16 | H16 | 88.2° | 7.5° |
| H16 | C16 | C17 | H171 | 80.6° | 66.3° |
| H16 | C16 | C17 | H172 | 161.3° | 173.7° |
| H171 | C17 | C18 | H181 | 59.0° | 60.1° |
| H171 | C17 | C18 | H182 | 179.0° | 180.0° |
| H171 | C17 | C18 | H183 | 61.0° | 60.0° |
| H172 | C17 | C18 | H181 | 59.0° | 59.9° |
| H172 | C17 | C18 | H182 | 60.9° | 60.1° |
| H172 | C17 | C18 | H183 | 179.1° | 179.9° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H11 | C11 | C10 | H10 | 132.6° | 180.0° |
| H10 | C10 | C9 | H9 | 110.0° | 180.0° |
| H9 | C9 | C8 | H81C | 65.5° | 65.0° |
| H9 | C9 | C8 | H82C | 176.5° | 175.0° |
| H81C | C8 | C7 | H71C | 117.3° | 180.0° |
| H81C | C8 | C7 | H72C | 124.4° | 60.0° |
| H82C | C8 | C7 | H71C | 0.8° | 60.0° |
| H82C | C8 | C7 | H72C | 117.5° | 180.0° |
| H71C | C7 | C6 | H61C | 133.8° | 180.0° |
| H71C | C7 | C6 | H62C | 106.9° | 59.9° |
| H72C | C7 | C6 | H61C | 15.6° | 60.0° |
| H72C | C7 | C6 | H62C | 134.8° | 180.0° |
| H61C | C6 | C5 | H51C | 166.2° | 180.0° |
| H61C | C6 | C5 | H52C | 74.5° | 59.9° |
| H62C | C6 | C5 | H51C | 47.0° | 60.0° |
| H62C | C6 | C5 | H52C | 166.3° | 180.0° |
| H51C | C5 | C4 | H41C | 166.8° | NaN° |
| H51C | C5 | C4 | H42C | 73.8° | 60.0° |
| H52C | C5 | C4 | H41C | 47.5° | 60.0° |
| H52C | C5 | C4 | H42C | 166.9° | 180.0° |
| H41C | C4 | C3 | H31C | 112.2° | 180.0° |
| H41C | C4 | C3 | H32C | 129.6° | 60.0° |
| H42C | C4 | C3 | H31C | 7.2° | 60.0° |
| H42C | C4 | C3 | H32C | 111.0° | 180.0° |
| H31C | C3 | C2 | H21C | 168.4° | 180.0° |
| H31C | C3 | C2 | H22C | 72.5° | 60.0° |
| H32C | C3 | C2 | H21C | 50.2° | 60.0° |
| H32C | C3 | C2 | H22C | 169.3° | 179.9° |
