RTL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.50Å | 1.54Å | |
| C1 | C16 | sing | 1.53Å | 1.54Å | |
| C1 | C17 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.50Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.32Å | 1.38Å | |
| C5 | C18 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | doub | 1.36Å | 1.35Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.41Å | 1.46Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.36Å | 1.37Å | |
| C9 | C19 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.41Å | 1.48Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.36Å | 1.36Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.46Å | 1.46Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.34Å | 1.36Å | |
| C13 | C20 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.47Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | O1 | sing | 1.43Å | 1.37Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | 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 | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 114.7° | 110.1° |
| C2 | C1 | C16 | 100.0° | 109.4° |
| C2 | C1 | C17 | 104.6° | 109.3° |
| C1 | C2 | C3 | 110.8° | 108.5° |
| C1 | C2 | H21 | 109.2° | 109.7° |
| C1 | C2 | H22 | 109.2° | 109.7° |
| C6 | C1 | C16 | 111.4° | 109.4° |
| C6 | C1 | C17 | 115.5° | 109.4° |
| C1 | C6 | C5 | 123.8° | 123.7° |
| C1 | C6 | C7 | 114.3° | 118.1° |
| C16 | C1 | C17 | 109.2° | 109.2° |
| C1 | C16 | H161 | 109.5° | 109.4° |
| C1 | C16 | H162 | 109.5° | 109.5° |
| C1 | C16 | H163 | 109.5° | 109.5° |
| C1 | C17 | H171 | 109.5° | 109.4° |
| C1 | C17 | H172 | 109.5° | 109.4° |
| C1 | C17 | H173 | 109.5° | 109.5° |
| C3 | C2 | H21 | 109.1° | 109.6° |
| C3 | C2 | H22 | 109.1° | 109.6° |
| C2 | C3 | C4 | 133.3° | 108.5° |
| C2 | C3 | H31 | 103.2° | 109.6° |
| C2 | C3 | H32 | 103.2° | 109.6° |
| H21 | C2 | H22 | 109.5° | 109.8° |
| C4 | C3 | H31 | 103.3° | 109.6° |
| C4 | C3 | H32 | 103.3° | 109.6° |
| C3 | C4 | C5 | 103.4° | 110.1° |
| C3 | C4 | H41 | 110.9° | 109.3° |
| C3 | C4 | H42 | 111.0° | 109.4° |
| H31 | C3 | H32 | 109.4° | 109.8° |
| C5 | C4 | H41 | 111.0° | 109.4° |
| C5 | C4 | H42 | 111.0° | 109.4° |
| C4 | C5 | C6 | 128.9° | 123.7° |
| C4 | C5 | C18 | 109.8° | 118.1° |
| H41 | C4 | H42 | 109.5° | 109.2° |
| C6 | C5 | C18 | 118.9° | 118.1° |
| C5 | C6 | C7 | 121.9° | 118.2° |
| C5 | C18 | H181 | 109.5° | 109.5° |
| C5 | C18 | H182 | 109.5° | 109.5° |
| C5 | C18 | H183 | 109.4° | 109.5° |
| C6 | C7 | C8 | 124.5° | 120.0° |
| C6 | C7 | H7 | 117.8° | 120.0° |
| C8 | C7 | H7 | 117.8° | 120.0° |
| C7 | C8 | C9 | 121.3° | 120.0° |
| C7 | C8 | H8 | 119.4° | 120.0° |
| C9 | C8 | H8 | 119.3° | 120.0° |
| C8 | C9 | C10 | 118.4° | 120.0° |
| C8 | C9 | C19 | 117.7° | 120.0° |
| C10 | C9 | C19 | 121.3° | 120.0° |
| C9 | C10 | C11 | 128.8° | 120.0° |
| C9 | C10 | H10 | 115.6° | 120.0° |
| C9 | C19 | H191 | 109.5° | 109.4° |
| C9 | C19 | H192 | 109.5° | 109.5° |
| C9 | C19 | H193 | 109.4° | 109.5° |
| C11 | C10 | H10 | 115.6° | 120.0° |
| C10 | C11 | C12 | 111.7° | 120.0° |
| C10 | C11 | H11 | 124.1° | 120.0° |
| C12 | C11 | H11 | 124.1° | 119.9° |
| C11 | C12 | C13 | 133.4° | 120.0° |
| C11 | C12 | H12 | 113.3° | 119.9° |
| C13 | C12 | H12 | 113.3° | 120.1° |
| C12 | C13 | C14 | 131.4° | 120.0° |
| C12 | C13 | C20 | 101.4° | 120.0° |
| C14 | C13 | C20 | 117.2° | 120.0° |
| C13 | C14 | C15 | 117.9° | 120.0° |
| C13 | C14 | H14 | 121.0° | 120.0° |
| C13 | C20 | H201 | 109.5° | 109.5° |
| C13 | C20 | H202 | 109.5° | 109.5° |
| C13 | C20 | H203 | 109.5° | 109.5° |
| C15 | C14 | H14 | 121.0° | 120.0° |
| C14 | C15 | O1 | 112.4° | 109.4° |
| C14 | C15 | H151 | 108.7° | 109.4° |
| C14 | C15 | H152 | 108.8° | 109.5° |
| O1 | C15 | H151 | 108.7° | 109.4° |
| O1 | C15 | H152 | 108.7° | 109.5° |
| C15 | O1 | HO1 | 109.5° | 114.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.4° |
| H162 | C16 | H163 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C16 | 112.7° | 120.2° |
| C2 | C1 | C6 | C17 | 121.9° | 120.2° |
| C2 | C1 | C16 | C17 | 109.4° | 119.6° |
| C1 | C2 | C3 | H21 | 120.2° | 119.7° |
| C1 | C2 | C3 | H22 | 120.2° | 119.8° |
| C1 | C2 | H21 | H22 | 119.4° | 120.6° |
| C1 | C2 | C3 | C4 | 29.4° | 68.2° |
| C1 | C2 | C3 | H31 | 152.4° | 51.5° |
| C1 | C2 | C3 | H32 | 93.6° | 172.1° |
| C2 | C1 | C6 | C5 | 7.3° | 17.2° |
| C2 | C1 | C6 | C7 | 174.7° | 162.8° |
| C2 | C1 | C16 | H161 | 180.0° | 60.0° |
| C2 | C1 | C16 | H162 | 60.0° | 179.9° |
| C2 | C1 | C16 | H163 | 60.0° | 59.9° |
| C2 | C1 | C17 | H171 | 180.0° | 54.6° |
| C2 | C1 | C17 | H172 | 60.0° | 174.6° |
| C2 | C1 | C17 | H173 | 60.0° | 65.4° |
| C6 | C1 | C16 | C17 | 128.9° | 119.7° |
| C6 | C1 | C2 | C3 | 20.3° | 49.9° |
| C6 | C1 | C2 | H21 | 99.8° | 169.5° |
| C6 | C1 | C2 | H22 | 140.5° | 69.9° |
| C1 | C6 | C5 | C4 | 5.5° | 0.4° |
| C1 | C6 | C5 | C7 | 177.9° | 180.0° |
| C1 | C6 | C5 | C18 | 165.9° | 179.6° |
| C1 | C6 | C7 | C8 | 118.3° | 123.8° |
| C1 | C6 | C7 | H7 | 61.7° | 56.2° |
| C6 | C1 | C16 | H161 | 58.3° | 60.7° |
| C6 | C1 | C16 | H162 | 178.3° | 59.3° |
| C6 | C1 | C16 | H163 | 61.7° | 179.4° |
| C6 | C1 | C17 | H171 | 52.9° | 175.2° |
| C6 | C1 | C17 | H172 | 67.1° | 64.8° |
| C6 | C1 | C17 | H173 | 172.8° | 55.2° |
| C16 | C1 | C2 | C3 | 139.7° | 70.4° |
| C16 | C1 | C2 | H21 | 19.5° | 49.3° |
| C16 | C1 | C2 | H22 | 100.1° | 169.9° |
| C16 | C1 | C6 | C5 | 120.0° | 103.0° |
| C16 | C1 | C6 | C7 | 62.0° | 77.0° |
| C1 | C16 | H161 | H162 | 120.0° | 120.0° |
| C1 | C16 | H161 | H163 | 120.0° | 120.0° |
| C1 | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | C1 | C17 | H171 | 73.7° | 65.1° |
| C16 | C1 | C17 | H172 | 166.3° | 54.9° |
| C16 | C1 | C17 | H173 | 46.3° | 174.9° |
| C17 | C1 | C2 | C3 | 107.3° | 170.1° |
| C17 | C1 | C2 | H21 | 132.5° | 70.3° |
| C17 | C1 | C2 | H22 | 12.9° | 50.3° |
| C17 | C1 | C6 | C5 | 114.6° | 137.4° |
| C17 | C1 | C6 | C7 | 63.5° | 42.6° |
| C17 | C1 | C16 | H161 | 70.6° | 179.6° |
| C17 | C1 | C16 | H162 | 49.4° | 60.3° |
| C17 | C1 | C16 | H163 | 169.4° | 59.7° |
| C1 | C17 | H171 | H172 | 120.0° | 120.0° |
| C1 | C17 | H171 | H173 | 120.0° | 120.0° |
| C1 | C17 | H172 | H173 | 120.0° | 120.0° |
| C3 | C2 | H21 | H22 | 119.4° | 120.4° |
| C2 | C3 | C4 | H31 | 123.0° | 119.7° |
| C2 | C3 | C4 | H32 | 123.0° | 119.7° |
| C2 | C3 | H31 | H32 | 109.4° | 120.5° |
| C2 | C3 | C4 | C5 | 17.5° | 49.9° |
| C2 | C3 | C4 | H41 | 101.5° | 170.1° |
| C2 | C3 | C4 | H42 | 136.6° | 70.4° |
| H21 | C2 | C3 | C4 | 90.8° | 172.1° |
| H21 | C2 | C3 | H31 | 32.2° | 68.3° |
| H21 | C2 | C3 | H32 | 146.2° | 52.4° |
| H22 | C2 | C3 | C4 | 149.6° | 51.5° |
| H22 | C2 | C3 | H31 | 87.4° | 171.2° |
| H22 | C2 | C3 | H32 | 26.6° | 68.1° |
| C4 | C3 | H31 | H32 | 109.4° | 120.5° |
| C3 | C4 | C5 | H41 | 119.0° | 120.2° |
| C3 | C4 | C5 | H42 | 119.0° | 120.2° |
| C3 | C4 | H41 | H42 | 122.8° | 119.6° |
| C3 | C4 | C5 | C6 | 1.9° | 17.2° |
| C3 | C4 | C5 | C18 | 163.8° | 162.8° |
| H31 | C3 | C4 | C5 | 140.5° | 69.8° |
| H31 | C3 | C4 | H41 | 21.5° | 50.4° |
| H31 | C3 | C4 | H42 | 100.4° | 169.9° |
| H32 | C3 | C4 | C5 | 105.4° | 169.5° |
| H32 | C3 | C4 | H41 | 135.5° | 70.3° |
| H32 | C3 | C4 | H42 | 13.6° | 49.3° |
| C5 | C4 | H41 | H42 | 122.8° | 119.7° |
| C4 | C5 | C6 | C18 | 160.4° | 180.0° |
| C4 | C5 | C6 | C7 | 172.4° | 179.6° |
| C4 | C5 | C18 | H181 | 180.0° | 5.2° |
| C4 | C5 | C18 | H182 | 60.0° | 114.8° |
| C4 | C5 | C18 | H183 | 60.0° | 125.2° |
| H41 | C4 | C5 | C6 | 120.9° | 137.4° |
| H41 | C4 | C5 | C18 | 77.2° | 42.6° |
| H42 | C4 | C5 | C6 | 117.1° | 103.0° |
| H42 | C4 | C5 | C18 | 44.7° | 77.0° |
| C5 | C6 | C7 | C8 | 59.8° | 56.2° |
| C5 | C6 | C7 | H7 | 120.2° | 123.8° |
| C6 | C5 | C18 | H181 | 16.1° | 174.8° |
| C6 | C5 | C18 | H182 | 136.1° | 65.2° |
| C6 | C5 | C18 | H183 | 103.9° | 54.8° |
| C18 | C5 | C6 | C7 | 12.0° | 0.4° |
| C5 | C18 | H181 | H182 | 120.0° | 120.0° |
| C5 | C18 | H181 | H183 | 120.0° | 120.0° |
| C5 | C18 | H182 | H183 | 119.9° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 178.2° | 178.0° |
| C6 | C7 | C8 | H8 | 1.8° | 2.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 171.0° | 180.0° |
| C7 | C8 | C9 | C19 | 8.8° | 0.0° |
| H7 | C7 | C8 | C9 | 1.7° | 2.0° |
| H7 | C7 | C8 | H8 | 178.2° | 177.9° |
| C8 | C9 | C10 | C19 | 161.5° | 179.9° |
| C8 | C9 | C10 | C11 | 176.6° | NaN° |
| C8 | C9 | C10 | H10 | 3.4° | 0.0° |
| C8 | C9 | C19 | H191 | 180.0° | 90.0° |
| C8 | C9 | C19 | H192 | 60.0° | 150.0° |
| C8 | C9 | C19 | H193 | 60.0° | 30.0° |
| H8 | C8 | C9 | C10 | 9.0° | 0.0° |
| H8 | C8 | C9 | C19 | 171.1° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 166.3° | 180.0° |
| C9 | C10 | C11 | H11 | 13.7° | 0.0° |
| C10 | C9 | C19 | H191 | 18.3° | 90.1° |
| C10 | C9 | C19 | H192 | 138.4° | 30.0° |
| C10 | C9 | C19 | H193 | 101.7° | 150.0° |
| C19 | C9 | C10 | C11 | 21.8° | 0.1° |
| C19 | C9 | C10 | H10 | 158.2° | 180.0° |
| C9 | C19 | H191 | H192 | 120.0° | 120.0° |
| C9 | C19 | H191 | H193 | 120.0° | 120.0° |
| C9 | C19 | H192 | H193 | 119.9° | 120.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 175.0° | 180.0° |
| C10 | C11 | C12 | H12 | 5.1° | 0.0° |
| H10 | C10 | C11 | C12 | 13.7° | 0.0° |
| H10 | C10 | C11 | H11 | 166.3° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 150.2° | 180.0° |
| C11 | C12 | C13 | C20 | 7.0° | 0.0° |
| H11 | C11 | C12 | C13 | 5.0° | 0.0° |
| H11 | C11 | C12 | H12 | 174.9° | 180.0° |
| C12 | C13 | C14 | C20 | 138.7° | 180.0° |
| C12 | C13 | C14 | C15 | 161.9° | 180.0° |
| C12 | C13 | C14 | H14 | 18.1° | 0.0° |
| C12 | C13 | C20 | H201 | 180.0° | 90.0° |
| C12 | C13 | C20 | H202 | 60.0° | 150.0° |
| C12 | C13 | C20 | H203 | 60.0° | 30.0° |
| H12 | C12 | C13 | C14 | 29.8° | 0.0° |
| H12 | C12 | C13 | C20 | 173.0° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | O1 | 128.1° | 135.0° |
| C13 | C14 | C15 | H151 | 111.5° | 105.1° |
| C13 | C14 | C15 | H152 | 7.6° | 15.0° |
| C14 | C13 | C20 | H201 | 30.4° | 90.0° |
| C14 | C13 | C20 | H202 | 150.3° | 30.0° |
| C14 | C13 | C20 | H203 | 89.6° | 150.0° |
| C20 | C13 | C14 | C15 | 23.3° | 0.0° |
| C20 | C13 | C14 | H14 | 156.7° | 180.0° |
| C13 | C20 | H201 | H202 | 120.0° | 120.0° |
| C13 | C20 | H201 | H203 | 120.0° | 120.0° |
| C13 | C20 | H202 | H203 | 120.0° | 120.1° |
| C14 | C15 | O1 | H151 | 120.4° | 119.9° |
| C14 | C15 | O1 | H152 | 120.5° | 120.0° |
| C14 | C15 | H151 | H152 | 118.7° | 120.0° |
| C14 | C15 | O1 | HO1 | 180.0° | 179.9° |
| H14 | C14 | C15 | O1 | 51.9° | 45.0° |
| H14 | C14 | C15 | H151 | 68.5° | 75.0° |
| H14 | C14 | C15 | H152 | 172.4° | 165.0° |
| O1 | C15 | H151 | H152 | 118.6° | 120.0° |
| H151 | C15 | O1 | HO1 | 59.5° | 60.0° |
| H152 | C15 | O1 | HO1 | 59.6° | 60.1° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.1° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 119.9° |
