RET
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.50Å | 1.56Å | |
| C1 | C16 | sing | 1.53Å | 1.52Å | |
| C1 | C17 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.42Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.50Å | 1.51Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.32Å | 1.35Å | |
| C5 | C18 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.42Å | 1.50Å | |
| C7 | C8 | doub | 1.36Å | 1.33Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.40Å | 1.47Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.37Å | 1.35Å | |
| C9 | C19 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.40Å | 1.44Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.33Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.40Å | 1.47Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.35Å | |
| C13 | C20 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.40Å | 1.46Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | O1 | doub | 1.22Å | 1.42Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| 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 | 108.6° | 110.1° |
| C2 | C1 | C16 | 101.7° | 109.4° |
| C2 | C1 | C17 | 110.6° | 109.4° |
| C1 | C2 | C3 | 116.5° | 108.5° |
| C1 | C2 | H21 | 107.2° | 109.6° |
| C1 | C2 | H22 | 107.2° | 109.6° |
| C6 | C1 | C16 | 115.8° | 109.4° |
| C6 | C1 | C17 | 112.9° | 109.3° |
| C1 | C6 | C5 | 120.3° | 123.7° |
| C1 | C6 | C7 | 121.0° | 118.2° |
| C16 | C1 | C17 | 106.7° | 109.3° |
| C1 | C16 | H161 | 109.5° | 109.5° |
| C1 | C16 | H162 | 109.5° | 109.5° |
| C1 | C16 | H163 | 109.5° | 109.5° |
| C1 | C17 | H171 | 109.5° | 109.5° |
| C1 | C17 | H172 | 109.5° | 109.5° |
| C1 | C17 | H173 | 109.5° | 109.5° |
| C3 | C2 | H21 | 107.2° | 109.6° |
| C3 | C2 | H22 | 107.2° | 109.7° |
| C2 | C3 | C4 | 114.9° | 108.5° |
| C2 | C3 | H31 | 107.7° | 109.6° |
| C2 | C3 | H32 | 107.7° | 109.6° |
| H21 | C2 | H22 | 111.7° | 109.8° |
| C4 | C3 | H31 | 107.7° | 109.7° |
| C4 | C3 | H32 | 107.7° | 109.6° |
| C3 | C4 | C5 | 115.3° | 110.1° |
| C3 | C4 | H41 | 107.6° | 109.3° |
| C3 | C4 | H42 | 107.6° | 109.4° |
| H31 | C3 | H32 | 111.2° | 109.8° |
| C5 | C4 | H41 | 107.6° | 109.3° |
| C5 | C4 | H42 | 107.6° | 109.4° |
| C4 | C5 | C6 | 124.1° | 123.7° |
| C4 | C5 | C18 | 110.3° | 118.2° |
| H41 | C4 | H42 | 111.3° | 109.2° |
| C6 | C5 | C18 | 125.5° | 118.1° |
| C5 | C6 | C7 | 118.6° | 118.1° |
| C5 | C18 | H181 | 109.5° | 109.5° |
| C5 | C18 | H182 | 109.4° | 109.5° |
| C5 | C18 | H183 | 109.4° | 109.5° |
| C6 | C7 | C8 | 132.0° | 120.1° |
| C6 | C7 | H7 | 114.0° | 120.0° |
| C8 | C7 | H7 | 114.0° | 120.0° |
| C7 | C8 | C9 | 126.8° | 120.0° |
| C7 | C8 | H8 | 116.6° | 120.0° |
| C9 | C8 | H8 | 116.6° | 120.0° |
| C8 | C9 | C10 | 117.4° | 120.0° |
| C8 | C9 | C19 | 118.6° | 120.0° |
| C10 | C9 | C19 | 124.0° | 120.0° |
| C9 | C10 | C11 | 128.6° | 120.0° |
| C9 | C10 | H10 | 115.7° | 120.0° |
| C9 | C19 | H191 | 109.5° | 109.4° |
| C9 | C19 | H192 | 109.5° | 109.5° |
| C9 | C19 | H193 | 109.5° | 109.5° |
| C11 | C10 | H10 | 115.7° | 120.0° |
| C10 | C11 | C12 | 123.3° | 120.0° |
| C10 | C11 | H11 | 118.4° | 120.0° |
| C12 | C11 | H11 | 118.4° | 120.0° |
| C11 | C12 | C13 | 128.1° | 120.0° |
| C11 | C12 | H12 | 115.9° | 120.0° |
| C13 | C12 | H12 | 115.9° | 119.9° |
| C12 | C13 | C14 | 115.6° | 120.0° |
| C12 | C13 | C20 | 118.0° | 120.0° |
| C14 | C13 | C20 | 123.1° | 120.0° |
| C13 | C14 | C15 | 127.7° | 120.0° |
| C13 | C14 | H14 | 116.1° | 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 | 116.2° | 120.0° |
| C14 | C15 | O1 | 123.2° | 120.0° |
| C14 | C15 | H15 | 118.4° | 120.0° |
| O1 | C15 | H15 | 118.4° | 120.0° |
| H161 | C16 | H162 | 109.4° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.4° |
| H172 | C17 | H173 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| 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 | 113.6° | 120.2° |
| C2 | C1 | C6 | C17 | 123.1° | 120.2° |
| C2 | C1 | C16 | C17 | 115.9° | 119.7° |
| C1 | C2 | C3 | H21 | 120.0° | 119.7° |
| C1 | C2 | C3 | H22 | 120.0° | 119.7° |
| C1 | C2 | H21 | H22 | 117.1° | 120.5° |
| C1 | C2 | C3 | C4 | 51.6° | 68.3° |
| C1 | C2 | C3 | H31 | 68.4° | 51.5° |
| C1 | C2 | C3 | H32 | 171.6° | 172.1° |
| C2 | C1 | C6 | C5 | 19.9° | 17.2° |
| C2 | C1 | C6 | C7 | 156.1° | 162.7° |
| C2 | C1 | C16 | H161 | 180.0° | 54.6° |
| C2 | C1 | C16 | H162 | 60.0° | 174.6° |
| C2 | C1 | C16 | H163 | 60.0° | 65.4° |
| C2 | C1 | C17 | H171 | 180.0° | 60.0° |
| C2 | C1 | C17 | H172 | 60.0° | 180.0° |
| C2 | C1 | C17 | H173 | 60.0° | 60.0° |
| C6 | C1 | C16 | C17 | 126.5° | 119.6° |
| C6 | C1 | C2 | C3 | 48.3° | 49.9° |
| C6 | C1 | C2 | H21 | 168.3° | 169.5° |
| C6 | C1 | C2 | H22 | 71.7° | 69.9° |
| C1 | C6 | C5 | C4 | 4.0° | 0.4° |
| C1 | C6 | C5 | C7 | 176.1° | 179.9° |
| C1 | C6 | C5 | C18 | 172.9° | 179.6° |
| C1 | C6 | C7 | C8 | 31.0° | 123.6° |
| C1 | C6 | C7 | H7 | 149.0° | 56.5° |
| C6 | C1 | C16 | H161 | 62.5° | 175.3° |
| C6 | C1 | C16 | H162 | 57.5° | 64.7° |
| C6 | C1 | C16 | H163 | 177.5° | 55.3° |
| C6 | C1 | C17 | H171 | 58.0° | 60.7° |
| C6 | C1 | C17 | H172 | 178.1° | 59.4° |
| C6 | C1 | C17 | H173 | 61.9° | 179.3° |
| C16 | C1 | C2 | C3 | 170.9° | 170.1° |
| C16 | C1 | C2 | H21 | 69.1° | 70.3° |
| C16 | C1 | C2 | H22 | 50.9° | 50.3° |
| C16 | C1 | C6 | C5 | 133.5° | 137.3° |
| C16 | C1 | C6 | C7 | 42.5° | 42.6° |
| 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 | 70.2° | 179.7° |
| C16 | C1 | C17 | H172 | 49.8° | 60.3° |
| C16 | C1 | C17 | H173 | 169.8° | 59.7° |
| C17 | C1 | C2 | C3 | 76.1° | 70.3° |
| C17 | C1 | C2 | H21 | 43.9° | 49.3° |
| C17 | C1 | C2 | H22 | 163.9° | 169.9° |
| C17 | C1 | C6 | C5 | 103.1° | 103.1° |
| C17 | C1 | C6 | C7 | 80.8° | 77.0° |
| C17 | C1 | C16 | H161 | 64.1° | 65.1° |
| C17 | C1 | C16 | H162 | 175.9° | 54.9° |
| C17 | C1 | C16 | H163 | 55.9° | 174.9° |
| C1 | C17 | H171 | H172 | 120.0° | 120.1° |
| C1 | C17 | H171 | H173 | 120.0° | 120.0° |
| C1 | C17 | H172 | H173 | 120.0° | 120.0° |
| C3 | C2 | H21 | H22 | 117.1° | 120.5° |
| C2 | C3 | C4 | H31 | 120.0° | 119.7° |
| C2 | C3 | C4 | H32 | 120.0° | 119.6° |
| C2 | C3 | H31 | H32 | 117.7° | 120.5° |
| C2 | C3 | C4 | C5 | 24.1° | 49.9° |
| C2 | C3 | C4 | H41 | 144.2° | 170.1° |
| C2 | C3 | C4 | H42 | 95.9° | 70.3° |
| H21 | C2 | C3 | C4 | 171.6° | 172.0° |
| H21 | C2 | C3 | H31 | 51.6° | 68.2° |
| H21 | C2 | C3 | H32 | 68.4° | 52.4° |
| H22 | C2 | C3 | C4 | 68.4° | 51.4° |
| H22 | C2 | C3 | H31 | 171.6° | 171.2° |
| H22 | C2 | C3 | H32 | 51.6° | 68.2° |
| C4 | C3 | H31 | H32 | 117.8° | 120.5° |
| C3 | C4 | C5 | H41 | 120.0° | 120.1° |
| C3 | C4 | C5 | H42 | 120.0° | 120.3° |
| C3 | C4 | H41 | H42 | 117.6° | 119.7° |
| C3 | C4 | C5 | C6 | 3.5° | 17.2° |
| C3 | C4 | C5 | C18 | 173.7° | 162.8° |
| H31 | C3 | C4 | C5 | 95.9° | 69.8° |
| H31 | C3 | C4 | H41 | 24.2° | 50.3° |
| H31 | C3 | C4 | H42 | 144.1° | 169.9° |
| H32 | C3 | C4 | C5 | 144.1° | 169.5° |
| H32 | C3 | C4 | H41 | 95.8° | 70.3° |
| H32 | C3 | C4 | H42 | 24.1° | 49.3° |
| C5 | C4 | H41 | H42 | 117.6° | 119.6° |
| C4 | C5 | C6 | C18 | 176.8° | 179.9° |
| C4 | C5 | C6 | C7 | 179.9° | 179.5° |
| 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 | 116.5° | 137.3° |
| H41 | C4 | C5 | C18 | 66.2° | 42.6° |
| H42 | C4 | C5 | C6 | 123.5° | 103.1° |
| H42 | C4 | C5 | C18 | 53.8° | 77.0° |
| C5 | C6 | C7 | C8 | 152.9° | 56.3° |
| C5 | C6 | C7 | H7 | 27.1° | 123.6° |
| C6 | C5 | C18 | H181 | 2.8° | 174.7° |
| C6 | C5 | C18 | H182 | 122.8° | 65.2° |
| C6 | C5 | C18 | H183 | 117.2° | 54.8° |
| C18 | C5 | C6 | C7 | 3.2° | 0.5° |
| C5 | C18 | H181 | H182 | 120.0° | 120.0° |
| C5 | C18 | H181 | H183 | 120.0° | 120.0° |
| C5 | C18 | H182 | H183 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.5° | 177.9° |
| C6 | C7 | C8 | H8 | 0.5° | 2.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.2° | 180.0° |
| C7 | C8 | C9 | C19 | 1.1° | 0.0° |
| H7 | C7 | C8 | C9 | 0.5° | 2.1° |
| H7 | C7 | C8 | H8 | 179.4° | 177.9° |
| C8 | C9 | C10 | C19 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 179.8° | 180.0° |
| C8 | C9 | C10 | H10 | 0.2° | 0.1° |
| 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 | 0.8° | 0.0° |
| H8 | C8 | C9 | C19 | 178.9° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 171.7° | 180.0° |
| C9 | C10 | C11 | H11 | 8.3° | 0.0° |
| C10 | C9 | C19 | H191 | 0.3° | 90.0° |
| C10 | C9 | C19 | H192 | 120.3° | 30.0° |
| C10 | C9 | C19 | H193 | 119.6° | 150.0° |
| C19 | C9 | C10 | C11 | 0.1° | 0.0° |
| C19 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | C19 | H191 | H192 | 120.0° | 120.0° |
| C9 | C19 | H191 | H193 | 120.0° | 120.0° |
| C9 | C19 | H192 | H193 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.6° | 180.0° |
| C10 | C11 | C12 | H12 | 0.4° | 0.0° |
| H10 | C10 | C11 | C12 | 8.3° | 0.0° |
| H10 | C10 | C11 | H11 | 171.7° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 178.5° | 180.0° |
| C11 | C12 | C13 | C20 | 18.6° | 0.0° |
| H11 | C11 | C12 | C13 | 0.4° | 0.0° |
| H11 | C11 | C12 | H12 | 179.6° | 180.0° |
| C12 | C13 | C14 | C20 | 158.7° | 180.0° |
| C12 | C13 | C14 | C15 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 0.0° | 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 | 1.5° | 0.0° |
| H12 | C12 | C13 | C20 | 161.4° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | O1 | 112.3° | 180.0° |
| C13 | C14 | C15 | H15 | 67.7° | 0.0° |
| C14 | C13 | C20 | H201 | 21.7° | 90.0° |
| C14 | C13 | C20 | H202 | 141.7° | 30.0° |
| C14 | C13 | C20 | H203 | 98.3° | 150.0° |
| C20 | C13 | C14 | C15 | 21.3° | 0.0° |
| C20 | C13 | C14 | H14 | 158.8° | 180.0° |
| C13 | C20 | H201 | H202 | 120.0° | 120.0° |
| C13 | C20 | H201 | H203 | 120.0° | 120.0° |
| C13 | C20 | H202 | H203 | 120.0° | 120.0° |
| C14 | C15 | O1 | H15 | 180.0° | 180.0° |
| H14 | C14 | C15 | O1 | 67.7° | 0.0° |
| H14 | C14 | C15 | H15 | 112.3° | 180.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H171 | C17 | H172 | H173 | 120.0° | 119.9° |
| H181 | C18 | H182 | H183 | 120.0° | 119.9° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
