6OC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | doub | 1.31Å | 1.33Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | doub | 1.31Å | 1.33Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | O3 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.34Å | 1.25Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| OXT | HOT1 | sing | 0.97Å | 0.95Å | |
| OXT | C8 | sing | 1.43Å | 1.82Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 111.0° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C18 | C17 | H171 | 109.0° | 109.5° |
| C18 | C17 | H172 | 108.6° | 109.5° |
| C17 | C16 | C15 | 111.0° | 109.5° |
| C16 | C17 | H171 | 109.0° | 109.4° |
| C16 | C17 | H172 | 108.6° | 109.5° |
| C17 | C16 | H161 | 109.0° | 109.4° |
| C17 | C16 | H162 | 108.6° | 109.5° |
| C16 | C15 | C14 | 111.0° | 109.4° |
| C15 | C16 | H161 | 109.0° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.5° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C16 | C15 | H152 | 108.7° | 109.5° |
| C15 | C14 | C13 | 109.5° | 109.4° |
| C14 | C15 | H151 | 109.0° | 109.5° |
| C14 | C15 | H152 | 108.6° | 109.4° |
| C15 | C14 | H141 | 109.5° | 109.5° |
| C15 | C14 | H142 | 109.5° | 109.5° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C14 | C13 | H13 | 120.0° | 120.1° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C11 | C10 | 109.5° | 109.4° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C12 | C11 | H111 | 109.5° | 109.5° |
| C12 | C11 | H112 | 109.5° | 109.4° |
| C11 | C10 | C9 | 120.0° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C9 | C8 | 120.0° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | C7 | 109.4° | 109.5° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | H8 | 110.6° | 109.5° |
| C9 | C8 | OXT | 106.9° | 109.5° |
| C8 | C7 | C6 | 109.4° | 109.4° |
| C7 | C8 | H8 | 109.8° | 109.5° |
| C8 | C7 | H7C1 | 109.5° | 109.5° |
| C8 | C7 | H7C2 | 109.5° | 109.5° |
| C7 | C8 | OXT | 107.9° | 109.5° |
| C7 | C6 | O3 | 120.1° | 120.0° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C6 | C7 | H7C1 | 109.5° | 109.4° |
| C6 | C7 | H7C2 | 109.5° | 109.4° |
| O3 | C6 | C5 | 120.2° | 120.0° |
| C6 | C5 | C4 | 109.5° | 109.5° |
| C6 | C5 | H5C1 | 109.5° | 109.5° |
| C6 | C5 | H5C2 | 109.5° | 109.5° |
| C5 | C4 | C3 | 111.0° | 109.5° |
| C4 | C5 | H5C1 | 109.5° | 109.5° |
| C4 | C5 | H5C2 | 109.5° | 109.4° |
| C5 | C4 | H4C1 | 109.0° | 109.5° |
| C5 | C4 | H4C2 | 108.7° | 109.4° |
| C4 | C3 | C2 | 111.0° | 109.5° |
| C3 | C4 | H4C1 | 109.0° | 109.5° |
| C3 | C4 | H4C2 | 108.6° | 109.5° |
| C4 | C3 | H3C1 | 109.0° | 109.5° |
| C4 | C3 | H3C2 | 108.6° | 109.4° |
| C3 | C2 | C1 | 109.5° | 109.5° |
| C2 | C3 | H3C1 | 108.9° | 109.5° |
| C2 | C3 | H3C2 | 108.6° | 109.5° |
| C3 | C2 | H2C1 | 109.5° | 109.5° |
| C3 | C2 | H2C2 | 109.5° | 109.4° |
| C2 | C1 | O1 | 118.5° | 120.0° |
| C2 | C1 | O2 | 118.5° | 120.0° |
| C1 | C2 | H2C1 | 109.5° | 109.5° |
| C1 | C2 | H2C2 | 109.5° | 109.5° |
| O1 | C1 | O2 | 123.0° | 120.0° |
| C1 | O2 | H2 | 109.5° | 117.0° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H171 | C17 | H172 | 110.6° | 109.5° |
| H161 | C16 | H162 | 110.6° | 109.5° |
| H151 | C15 | H152 | 110.7° | 109.6° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H8 | C8 | OXT | 112.1° | 109.5° |
| H7C1 | C7 | H7C2 | 109.4° | 109.5° |
| H5C1 | C5 | H5C2 | 109.5° | 109.4° |
| H4C1 | C4 | H4C2 | 110.7° | 109.5° |
| H3C1 | C3 | H3C2 | 110.6° | 109.4° |
| H2C1 | C2 | H2C2 | 109.5° | 109.4° |
| HOT1 | OXT | C8 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H171 | 120.0° | 120.0° |
| C18 | C17 | C16 | H172 | 119.4° | 120.0° |
| C18 | C17 | C16 | C15 | 102.8° | 180.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | H171 | H172 | 119.4° | 120.0° |
| C18 | C17 | C16 | H161 | 17.2° | 60.0° |
| C18 | C17 | C16 | H162 | 137.9° | 60.0° |
| C17 | C16 | C15 | H161 | 120.0° | 120.0° |
| C17 | C16 | C15 | H162 | 119.4° | 120.0° |
| C17 | C16 | C15 | C14 | 98.3° | 180.0° |
| C16 | C17 | C18 | H181 | 153.4° | 180.0° |
| C16 | C17 | C18 | H182 | 86.6° | 60.0° |
| C16 | C17 | C18 | H183 | 33.4° | 60.0° |
| C16 | C17 | H171 | H172 | 119.4° | 119.9° |
| C17 | C16 | H161 | H162 | 119.4° | 119.9° |
| C17 | C16 | C15 | H151 | 141.7° | 60.0° |
| C17 | C16 | C15 | H152 | 21.0° | 60.1° |
| C16 | C15 | C14 | H151 | 120.0° | 120.0° |
| C16 | C15 | C14 | H152 | 119.4° | 119.9° |
| C16 | C15 | C14 | C13 | 163.3° | 180.0° |
| C15 | C16 | C17 | H171 | 137.2° | 60.0° |
| C15 | C16 | C17 | H172 | 16.6° | 60.0° |
| C15 | C16 | H161 | H162 | 119.4° | 120.0° |
| C16 | C15 | H151 | H152 | 119.4° | 120.0° |
| C16 | C15 | C14 | H141 | 76.6° | 60.0° |
| C16 | C15 | C14 | H142 | 43.3° | 60.0° |
| C15 | C14 | C13 | H141 | 120.0° | 120.0° |
| C15 | C14 | C13 | H142 | 120.0° | 120.0° |
| C15 | C14 | C13 | C12 | 139.1° | 127.6° |
| C14 | C15 | C16 | H161 | 21.7° | 60.0° |
| C14 | C15 | C16 | H162 | 142.3° | 60.0° |
| C14 | C15 | H151 | H152 | 119.3° | 120.0° |
| C15 | C14 | H141 | H142 | 120.0° | 120.1° |
| C15 | C14 | C13 | H13 | 40.9° | 52.4° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 7.7° |
| C13 | C14 | C15 | H151 | 43.3° | 60.0° |
| C13 | C14 | C15 | H152 | 77.3° | 60.1° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C14 | C13 | C12 | H12 | 180.0° | 172.3° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 94.9° | 126.2° |
| C12 | C13 | C14 | H141 | 100.9° | 7.6° |
| C12 | C13 | C14 | H142 | 19.1° | 112.4° |
| C13 | C12 | C11 | H111 | 25.1° | 113.8° |
| C13 | C12 | C11 | H112 | 145.1° | 6.2° |
| C12 | C11 | C10 | H111 | 120.0° | 120.0° |
| C12 | C11 | C10 | H112 | 120.0° | 120.0° |
| C12 | C11 | C10 | C9 | 137.2° | 127.6° |
| C11 | C12 | C13 | H13 | 180.0° | 172.3° |
| C12 | C11 | H111 | H112 | 120.0° | 120.0° |
| C12 | C11 | C10 | H10 | 42.8° | 52.5° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.0° | 7.6° |
| C10 | C11 | C12 | H12 | 85.1° | 53.9° |
| C10 | C11 | H111 | H112 | 120.0° | 120.1° |
| C11 | C10 | C9 | H9 | 179.9° | 172.4° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 126.7° | 127.7° |
| C9 | C10 | C11 | H111 | 102.8° | 7.6° |
| C9 | C10 | C11 | H112 | 17.2° | 112.4° |
| C10 | C9 | C8 | H8 | 5.6° | 7.7° |
| C10 | C9 | C8 | OXT | 116.7° | 112.3° |
| C9 | C8 | C7 | H8 | 121.6° | 120.0° |
| C9 | C8 | C7 | OXT | 116.0° | 120.0° |
| C9 | C8 | C7 | C6 | 178.5° | 175.0° |
| C8 | C9 | C10 | H10 | 180.0° | 172.3° |
| C9 | C8 | H8 | OXT | 119.3° | 120.0° |
| C9 | C8 | C7 | H7C1 | 58.5° | 55.1° |
| C9 | C8 | C7 | H7C2 | 61.5° | 65.0° |
| C9 | C8 | OXT | HOT1 | 161.1° | 60.0° |
| C8 | C7 | C6 | H7C1 | 120.0° | 120.0° |
| C8 | C7 | C6 | H7C2 | 120.0° | 120.0° |
| C8 | C7 | C6 | O3 | 71.1° | 0.0° |
| C8 | C7 | C6 | C5 | 109.0° | 180.0° |
| C7 | C8 | C9 | H9 | 53.3° | 52.3° |
| C7 | C8 | H8 | OXT | 119.8° | 120.0° |
| C8 | C7 | H7C1 | H7C2 | 120.0° | 120.1° |
| C7 | C8 | OXT | HOT1 | 43.5° | 60.0° |
| C7 | C6 | O3 | C5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 177.7° | 180.0° |
| C6 | C7 | C8 | H8 | 56.9° | 55.0° |
| C6 | C7 | H7C1 | H7C2 | 120.0° | 119.9° |
| C7 | C6 | C5 | H5C1 | 57.7° | 60.0° |
| C7 | C6 | C5 | H5C2 | 62.3° | 60.0° |
| C6 | C7 | C8 | OXT | 65.6° | 65.0° |
| O3 | C6 | C5 | C4 | 2.3° | 0.0° |
| O3 | C6 | C7 | H7C1 | 49.0° | 120.0° |
| O3 | C6 | C7 | H7C2 | 168.9° | 120.0° |
| O3 | C6 | C5 | H5C1 | 122.2° | 120.0° |
| O3 | C6 | C5 | H5C2 | 117.7° | 120.0° |
| C6 | C5 | C4 | H5C1 | 120.0° | 120.1° |
| C6 | C5 | C4 | H5C2 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 67.6° | 180.0° |
| C5 | C6 | C7 | H7C1 | 131.0° | 60.0° |
| C5 | C6 | C7 | H7C2 | 11.1° | 60.0° |
| C6 | C5 | H5C1 | H5C2 | 120.0° | 120.0° |
| C6 | C5 | C4 | H4C1 | 52.4° | 59.9° |
| C6 | C5 | C4 | H4C2 | 173.0° | 60.1° |
| C5 | C4 | C3 | H4C1 | 120.0° | 120.1° |
| C5 | C4 | C3 | H4C2 | 119.4° | 119.9° |
| C5 | C4 | C3 | C2 | 73.4° | 180.0° |
| C4 | C5 | H5C1 | H5C2 | 120.0° | 119.9° |
| C5 | C4 | H4C1 | H4C2 | 119.4° | 119.9° |
| C5 | C4 | C3 | H3C1 | 46.5° | 59.9° |
| C5 | C4 | C3 | H3C2 | 167.2° | 60.0° |
| C4 | C3 | C2 | H3C1 | 120.0° | 120.1° |
| C4 | C3 | C2 | H3C2 | 119.4° | 120.0° |
| C4 | C3 | C2 | C1 | 97.3° | 180.0° |
| C3 | C4 | C5 | H5C1 | 172.4° | 59.9° |
| C3 | C4 | C5 | H5C2 | 52.4° | 60.0° |
| C3 | C4 | H4C1 | H4C2 | 119.4° | 120.0° |
| C4 | C3 | H3C1 | H3C2 | 119.4° | 120.0° |
| C4 | C3 | C2 | H2C1 | 22.7° | 59.9° |
| C4 | C3 | C2 | H2C2 | 142.7° | 60.0° |
| C3 | C2 | C1 | H2C1 | 120.0° | 120.1° |
| C3 | C2 | C1 | H2C2 | 120.0° | 120.0° |
| C3 | C2 | C1 | O1 | 134.9° | 0.0° |
| C3 | C2 | C1 | O2 | 45.1° | 180.0° |
| C2 | C3 | C4 | H4C1 | 166.6° | 60.0° |
| C2 | C3 | C4 | H4C2 | 45.9° | 60.1° |
| C2 | C3 | H3C1 | H3C2 | 119.4° | 120.0° |
| C3 | C2 | H2C1 | H2C2 | 120.0° | 119.9° |
| C2 | C1 | O1 | O2 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3C1 | 142.7° | 59.9° |
| C1 | C2 | C3 | H3C2 | 22.1° | 60.0° |
| C1 | C2 | H2C1 | H2C2 | 120.0° | 120.0° |
| C2 | C1 | O2 | H2 | 180.0° | 180.0° |
| O1 | C1 | C2 | H2C1 | 14.9° | 120.1° |
| O1 | C1 | C2 | H2C2 | 105.1° | 120.0° |
| O1 | C1 | O2 | H2 | 0.0° | 0.1° |
| O2 | C1 | C2 | H2C1 | 165.1° | 60.0° |
| O2 | C1 | C2 | H2C2 | 74.9° | 60.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H181 | C18 | C17 | H171 | 86.6° | 60.0° |
| H181 | C18 | C17 | H172 | 34.0° | 60.0° |
| H182 | C18 | C17 | H171 | 33.4° | 60.0° |
| H182 | C18 | C17 | H172 | 154.0° | 180.0° |
| H183 | C18 | C17 | H171 | 153.4° | 180.0° |
| H183 | C18 | C17 | H172 | 86.0° | 60.0° |
| H171 | C17 | C16 | H161 | 102.8° | 180.0° |
| H171 | C17 | C16 | H162 | 17.8° | 60.1° |
| H172 | C17 | C16 | H161 | 136.6° | 60.1° |
| H172 | C17 | C16 | H162 | 102.8° | 180.0° |
| H161 | C16 | C15 | H151 | 98.3° | 180.0° |
| H161 | C16 | C15 | H152 | 141.0° | 59.9° |
| H162 | C16 | C15 | H151 | 22.3° | 60.0° |
| H162 | C16 | C15 | H152 | 98.3° | 179.9° |
| H151 | C15 | C14 | H141 | 163.4° | 180.0° |
| H151 | C15 | C14 | H142 | 76.7° | 59.9° |
| H152 | C15 | C14 | H141 | 42.7° | 59.9° |
| H152 | C15 | C14 | H142 | 162.7° | 180.0° |
| H141 | C14 | C13 | H13 | 79.1° | 172.4° |
| H142 | C14 | C13 | H13 | 160.9° | 67.6° |
| H13 | C13 | C12 | H12 | 0.0° | 7.7° |
| H12 | C12 | C11 | H111 | 154.9° | 66.1° |
| H12 | C12 | C11 | H112 | 34.9° | 173.9° |
| H111 | C11 | C10 | H10 | 77.2° | 172.4° |
| H112 | C11 | C10 | H10 | 162.8° | 67.5° |
| H10 | C10 | C9 | H9 | 0.1° | 7.7° |
| H9 | C9 | C8 | H8 | 174.3° | 172.2° |
| H9 | C9 | C8 | OXT | 63.3° | 67.8° |
| H8 | C8 | C7 | H7C1 | 63.1° | 64.9° |
| H8 | C8 | C7 | H7C2 | 176.9° | 175.0° |
| H8 | C8 | OXT | HOT1 | 77.4° | 180.0° |
| H7C1 | C7 | C8 | OXT | 174.4° | 175.0° |
| H7C2 | C7 | C8 | OXT | 54.5° | 55.0° |
| H5C1 | C5 | C4 | H4C1 | 67.6° | 180.0° |
| H5C1 | C5 | C4 | H4C2 | 53.0° | 60.0° |
| H5C2 | C5 | C4 | H4C1 | 172.3° | 60.1° |
| H5C2 | C5 | C4 | H4C2 | 67.0° | 180.0° |
| H4C1 | C4 | C3 | H3C1 | 73.4° | 180.0° |
| H4C1 | C4 | C3 | H3C2 | 47.2° | 60.0° |
| H4C2 | C4 | C3 | H3C1 | 165.9° | 60.0° |
| H4C2 | C4 | C3 | H3C2 | 73.4° | 179.9° |
| H3C1 | C3 | C2 | H2C1 | 97.3° | NaN° |
| H3C1 | C3 | C2 | H2C2 | 22.7° | 60.1° |
| H3C2 | C3 | C2 | H2C1 | 142.1° | 60.1° |
| H3C2 | C3 | C2 | H2C2 | 97.9° | 180.0° |
