EJL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.31Å | 1.32Å | |
| C21 | C20 | sing | 1.51Å | 1.47Å | |
| C16 | C15 | doub | 1.31Å | 1.32Å | |
| C16 | C17 | sing | 1.51Å | 1.46Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | doub | 1.31Å | 1.32Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.47Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| O2 | C5 | doub | 1.21Å | 1.21Å | |
| C13 | C12 | doub | 1.31Å | 1.34Å | |
| C5 | C6 | sing | 1.43Å | 1.24Å | |
| C5 | C4 | sing | 1.51Å | 1.48Å | |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | trip | 1.17Å | 1.17Å | |
| C7 | C8 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C10 | C9 | doub | 1.31Å | 1.32Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | O1' | doub | 1.21Å | 1.24Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.08Å | 1.08Å | |
| C9 | H23 | sing | 1.08Å | 1.08Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| O1 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 123.9° | 120.0° |
| C21 | C22 | C23 | 130.0° | 120.0° |
| C21 | C22 | H6 | 115.0° | 120.0° |
| C22 | C21 | H7 | 118.0° | 120.0° |
| C21 | C20 | C19 | 112.2° | 109.5° |
| C20 | C21 | H7 | 118.1° | 120.0° |
| C21 | C20 | H8 | 108.8° | 109.5° |
| C21 | C20 | H9 | 108.8° | 109.4° |
| C15 | C16 | C17 | 121.7° | 120.0° |
| C16 | C15 | C14 | 124.0° | 120.0° |
| C15 | C16 | H14 | 119.2° | 120.0° |
| C16 | C15 | H15 | 118.0° | 120.0° |
| C16 | C17 | C18 | 101.6° | 109.5° |
| C16 | C17 | H12 | 111.4° | 109.5° |
| C16 | C17 | H13 | 111.4° | 109.5° |
| C17 | C16 | H14 | 119.2° | 120.0° |
| C22 | C23 | C24 | 109.7° | 109.5° |
| C22 | C23 | H4 | 109.4° | 109.5° |
| C22 | C23 | H5 | 109.4° | 109.4° |
| C23 | C22 | H6 | 115.0° | 120.0° |
| C18 | C19 | C20 | 118.3° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.0° |
| C18 | C19 | H10 | 120.9° | 120.0° |
| C19 | C18 | H11 | 120.1° | 120.0° |
| C19 | C20 | H8 | 108.8° | 109.5° |
| C19 | C20 | H9 | 108.8° | 109.5° |
| C20 | C19 | H10 | 120.8° | 120.0° |
| C23 | C24 | H1 | 109.5° | 109.5° |
| C23 | C24 | H2 | 109.4° | 109.5° |
| C23 | C24 | H3 | 109.5° | 109.5° |
| C24 | C23 | H4 | 109.4° | 109.5° |
| C24 | C23 | H5 | 109.4° | 109.5° |
| C17 | C18 | H11 | 120.2° | 120.0° |
| C18 | C17 | H12 | 111.4° | 109.5° |
| C18 | C17 | H13 | 111.4° | 109.5° |
| C15 | C14 | C13 | 115.2° | 109.5° |
| C14 | C15 | H15 | 118.0° | 120.0° |
| C15 | C14 | H16 | 108.0° | 109.5° |
| C15 | C14 | H17 | 108.0° | 109.4° |
| C14 | C13 | C12 | 126.4° | 120.0° |
| C13 | C14 | H16 | 108.0° | 109.5° |
| C13 | C14 | H17 | 108.0° | 109.5° |
| C14 | C13 | H18 | 116.8° | 120.0° |
| O2 | C5 | C6 | 121.6° | 120.0° |
| O2 | C5 | C4 | 122.4° | 120.0° |
| C13 | C12 | C11 | 123.7° | 120.0° |
| C12 | C13 | H18 | 116.8° | 120.0° |
| C13 | C12 | H19 | 118.1° | 120.0° |
| C6 | C5 | C4 | 116.0° | 120.0° |
| C5 | C6 | C7 | 174.2° | 180.0° |
| C5 | C4 | C3 | 108.6° | 109.5° |
| C5 | C4 | H26 | 109.7° | 109.4° |
| C5 | C4 | H27 | 109.7° | 109.4° |
| C12 | C11 | C10 | 108.3° | 109.5° |
| C11 | C12 | H19 | 118.1° | 120.0° |
| C12 | C11 | H20 | 109.8° | 109.5° |
| C12 | C11 | H21 | 109.8° | 109.5° |
| C11 | C10 | C9 | 121.8° | 120.0° |
| C10 | C11 | H20 | 109.8° | 109.5° |
| C10 | C11 | H21 | 109.8° | 109.5° |
| C11 | C10 | H22 | 119.1° | 120.0° |
| C6 | C7 | C8 | 173.3° | 180.0° |
| C7 | C8 | C9 | 105.2° | 109.5° |
| C7 | C8 | H24 | 110.5° | 109.5° |
| C7 | C8 | H25 | 110.5° | 109.4° |
| C4 | C3 | C2 | 106.4° | 109.5° |
| C3 | C4 | H26 | 109.7° | 109.5° |
| C3 | C4 | H27 | 109.7° | 109.5° |
| C4 | C3 | H28 | 110.2° | 109.5° |
| C4 | C3 | H29 | 110.2° | 109.5° |
| C8 | C9 | C10 | 125.0° | 120.0° |
| C8 | C9 | H23 | 117.5° | 120.0° |
| C9 | C8 | H24 | 110.5° | 109.5° |
| C9 | C8 | H25 | 110.5° | 109.5° |
| C9 | C10 | H22 | 119.1° | 120.0° |
| C10 | C9 | H23 | 117.5° | 120.0° |
| C3 | C2 | C1 | 116.0° | 109.5° |
| C2 | C3 | H28 | 110.2° | 109.5° |
| C2 | C3 | H29 | 110.2° | 109.5° |
| C3 | C2 | H30 | 107.8° | 109.4° |
| C3 | C2 | H31 | 107.8° | 109.5° |
| C2 | C1 | O1' | 120.5° | 120.0° |
| C2 | C1 | O1 | 117.1° | 120.0° |
| C1 | C2 | H30 | 107.8° | 109.5° |
| C1 | C2 | H31 | 107.8° | 109.5° |
| O1' | C1 | O1 | 122.4° | 120.0° |
| C1 | O1 | H32 | 109.5° | 117.0° |
| H1 | C24 | H2 | 109.5° | 109.5° |
| H1 | C24 | H3 | 109.5° | 109.4° |
| H2 | C24 | H3 | 109.5° | 109.4° |
| H4 | C23 | H5 | 109.5° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| H24 | C8 | H25 | 109.5° | 109.5° |
| H26 | C4 | H27 | 109.5° | 109.5° |
| H28 | C3 | H29 | 109.5° | 109.5° |
| H30 | C2 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H7 | 180.0° | 180.0° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 49.5° | 126.5° |
| C21 | C22 | C23 | C24 | 119.3° | 127.8° |
| C21 | C22 | C23 | H4 | 0.7° | 7.8° |
| C21 | C22 | C23 | H5 | 120.7° | 112.2° |
| C22 | C21 | C20 | H8 | 169.9° | 113.5° |
| C22 | C21 | C20 | H9 | 70.9° | 6.5° |
| C20 | C21 | C22 | C23 | 3.1° | 7.1° |
| C21 | C20 | C19 | C18 | 165.3° | 127.8° |
| C21 | C20 | C19 | H8 | 120.4° | 120.0° |
| C21 | C20 | C19 | H9 | 120.4° | 120.0° |
| C20 | C21 | C22 | H6 | 176.9° | 172.9° |
| C21 | C20 | H8 | H9 | 118.8° | 120.0° |
| C21 | C20 | C19 | H10 | 14.6° | 52.2° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 100.1° | 127.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.0° | 126.9° |
| C15 | C16 | C17 | H12 | 18.6° | 7.0° |
| C15 | C16 | C17 | H13 | 141.1° | 113.0° |
| C16 | C15 | C14 | H16 | 60.2° | 113.0° |
| C16 | C15 | C14 | H17 | 58.2° | 6.9° |
| C16 | C17 | C18 | C19 | 146.3° | 126.5° |
| C16 | C17 | C18 | H12 | 118.7° | 120.0° |
| C16 | C17 | C18 | H13 | 118.7° | 120.0° |
| C17 | C16 | C15 | C14 | 5.4° | 7.6° |
| C16 | C17 | C18 | H11 | 33.7° | 53.5° |
| C16 | C17 | H12 | H13 | 123.6° | 120.0° |
| C17 | C16 | C15 | H15 | 174.6° | 172.4° |
| C22 | C23 | C24 | H4 | 120.0° | 120.0° |
| C22 | C23 | C24 | H5 | 120.0° | 120.0° |
| C22 | C23 | C24 | H1 | 180.0° | 60.0° |
| C22 | C23 | C24 | H2 | 60.0° | 60.0° |
| C22 | C23 | C24 | H3 | 60.0° | 180.0° |
| C22 | C23 | H4 | H5 | 119.9° | 119.9° |
| C23 | C22 | C21 | H7 | 176.9° | 172.8° |
| C18 | C19 | C20 | H10 | 180.0° | 180.0° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C18 | C19 | C20 | H8 | 44.9° | 7.8° |
| C18 | C19 | C20 | H9 | 74.3° | 112.2° |
| C19 | C18 | C17 | H12 | 94.9° | 113.5° |
| C19 | C18 | C17 | H13 | 27.6° | 6.5° |
| C20 | C19 | C18 | C17 | 2.8° | 7.1° |
| C19 | C20 | C21 | H7 | 130.5° | 53.5° |
| C19 | C20 | H8 | H9 | 118.7° | 120.0° |
| C20 | C19 | C18 | H11 | 177.2° | 172.9° |
| C23 | C24 | H1 | H2 | 120.0° | 120.1° |
| C23 | C24 | H1 | H3 | 120.0° | 120.0° |
| C23 | C24 | H2 | H3 | 120.0° | 120.0° |
| C24 | C23 | H4 | H5 | 119.9° | 120.0° |
| C24 | C23 | C22 | H6 | 60.7° | 52.2° |
| C17 | C18 | C19 | H10 | 177.2° | 172.9° |
| C18 | C17 | H12 | H13 | 123.6° | 120.0° |
| C18 | C17 | C16 | H14 | 79.8° | 53.1° |
| C15 | C14 | C13 | H16 | 120.8° | 120.0° |
| C15 | C14 | C13 | H17 | 120.8° | 120.0° |
| C15 | C14 | C13 | C12 | 95.0° | 126.5° |
| C14 | C15 | C16 | H14 | 174.7° | 172.3° |
| C15 | C14 | H16 | H17 | 117.4° | 119.9° |
| C15 | C14 | C13 | H18 | 85.0° | 53.4° |
| C14 | C13 | C12 | H18 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 3.4° | 7.2° |
| C13 | C14 | C15 | H15 | 0.9° | 53.0° |
| C13 | C14 | H16 | H17 | 117.4° | 120.0° |
| C14 | C13 | C12 | H19 | 176.6° | 172.9° |
| O2 | C5 | C6 | C4 | 179.4° | 179.9° |
| O2 | C5 | C6 | C7 | 80.6° | 31.2° |
| O2 | C5 | C4 | C3 | 93.0° | 0.1° |
| O2 | C5 | C4 | H26 | 147.1° | 120.1° |
| O2 | C5 | C4 | H27 | 26.9° | 120.0° |
| C13 | C12 | C11 | H19 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 99.8° | 127.8° |
| C12 | C13 | C14 | H16 | 25.8° | 6.4° |
| C12 | C13 | C14 | H17 | 144.2° | 113.5° |
| C13 | C12 | C11 | H20 | 140.3° | 112.2° |
| C13 | C12 | C11 | H21 | 20.0° | 7.8° |
| C5 | C6 | C7 | C8 | 65.7° | 79.4° |
| C6 | C5 | C4 | C3 | 87.6° | 180.0° |
| C6 | C5 | C4 | H26 | 32.3° | 60.0° |
| C6 | C5 | C4 | H27 | 152.5° | 60.0° |
| C4 | C5 | C6 | C7 | 98.8° | 148.8° |
| C5 | C4 | C3 | H26 | 119.9° | 120.0° |
| C5 | C4 | C3 | H27 | 119.9° | 120.0° |
| C5 | C4 | C3 | C2 | 142.2° | 180.0° |
| C5 | C4 | H26 | H27 | 120.4° | 120.0° |
| C5 | C4 | C3 | H28 | 98.3° | 60.0° |
| C5 | C4 | C3 | H29 | 22.7° | 60.0° |
| C12 | C11 | C10 | H20 | 119.8° | 120.1° |
| C12 | C11 | C10 | H21 | 119.8° | 120.0° |
| C12 | C11 | C10 | C9 | 150.1° | 123.5° |
| C11 | C12 | C13 | H18 | 176.5° | 172.9° |
| C12 | C11 | H20 | H21 | 120.6° | 120.0° |
| C12 | C11 | C10 | H22 | 29.9° | 56.5° |
| C11 | C10 | C9 | C8 | 0.7° | 8.0° |
| C11 | C10 | C9 | H22 | 180.0° | 180.0° |
| C10 | C11 | C12 | H19 | 80.1° | 52.2° |
| C10 | C11 | H20 | H21 | 120.5° | 120.0° |
| C11 | C10 | C9 | H23 | 179.3° | 172.0° |
| C6 | C7 | C8 | C9 | 93.5° | 110.6° |
| C6 | C7 | C8 | H24 | 25.8° | 9.5° |
| C6 | C7 | C8 | H25 | 147.2° | 129.5° |
| C7 | C8 | C9 | H24 | 119.3° | 120.0° |
| C7 | C8 | C9 | H25 | 119.3° | 119.9° |
| C7 | C8 | C9 | C10 | 105.6° | 119.6° |
| C7 | C8 | C9 | H23 | 74.5° | 60.3° |
| C7 | C8 | H24 | H25 | 122.0° | 120.0° |
| C4 | C3 | C2 | H28 | 119.5° | 120.0° |
| C4 | C3 | C2 | H29 | 119.5° | 120.0° |
| C4 | C3 | C2 | C1 | 129.3° | 180.0° |
| C3 | C4 | H26 | H27 | 120.4° | 120.0° |
| C4 | C3 | H28 | H29 | 121.4° | 120.0° |
| C4 | C3 | C2 | H30 | 109.8° | 60.0° |
| C4 | C3 | C2 | H31 | 8.3° | 60.0° |
| C8 | C9 | C10 | H23 | 180.0° | 180.0° |
| C8 | C9 | C10 | H22 | 179.3° | 172.1° |
| C9 | C8 | H24 | H25 | 122.0° | 120.0° |
| C9 | C10 | C11 | H20 | 90.1° | 3.4° |
| C9 | C10 | C11 | H21 | 30.3° | 116.5° |
| C10 | C9 | C8 | H24 | 13.8° | 120.3° |
| C10 | C9 | C8 | H25 | 135.2° | 0.3° |
| C3 | C2 | C1 | H30 | 120.9° | 119.9° |
| C3 | C2 | C1 | H31 | 120.9° | 120.1° |
| C3 | C2 | C1 | O1' | 20.7° | 0.1° |
| C3 | C2 | C1 | O1 | 159.7° | 180.0° |
| C2 | C3 | C4 | H26 | 22.3° | 60.0° |
| C2 | C3 | C4 | H27 | 98.0° | 60.0° |
| C2 | C3 | H28 | H29 | 121.4° | 120.0° |
| C3 | C2 | H30 | H31 | 117.0° | 120.0° |
| C2 | C1 | O1' | O1 | 179.7° | 179.9° |
| C1 | C2 | C3 | H28 | 9.8° | 60.0° |
| C1 | C2 | C3 | H29 | 111.2° | 60.0° |
| C1 | C2 | H30 | H31 | 117.0° | 120.0° |
| C2 | C1 | O1 | H32 | 179.6° | 180.0° |
| O1' | C1 | C2 | H30 | 100.3° | 120.0° |
| O1' | C1 | C2 | H31 | 141.6° | 120.0° |
| O1' | C1 | O1 | H32 | 0.0° | 0.0° |
| O1 | C1 | C2 | H30 | 79.4° | 60.0° |
| O1 | C1 | C2 | H31 | 38.7° | 60.0° |
| H1 | C24 | H2 | H3 | 120.0° | 119.9° |
| H1 | C24 | C23 | H4 | 60.0° | 60.0° |
| H1 | C24 | C23 | H5 | 60.0° | NaN° |
| H2 | C24 | C23 | H4 | 180.0° | 180.0° |
| H2 | C24 | C23 | H5 | 60.0° | 60.0° |
| H3 | C24 | C23 | H4 | 60.0° | 60.0° |
| H3 | C24 | C23 | H5 | 180.0° | 60.0° |
| H4 | C23 | C22 | H6 | 179.3° | 172.2° |
| H5 | C23 | C22 | H6 | 59.3° | 67.8° |
| H6 | C22 | C21 | H7 | 3.1° | 7.2° |
| H7 | C21 | C20 | H8 | 10.1° | 66.5° |
| H7 | C21 | C20 | H9 | 109.1° | 173.5° |
| H8 | C20 | C19 | H10 | 135.1° | 172.2° |
| H9 | C20 | C19 | H10 | 105.8° | 67.8° |
| H10 | C19 | C18 | H11 | 2.8° | 7.1° |
| H11 | C18 | C17 | H12 | 85.1° | 66.5° |
| H11 | C18 | C17 | H13 | 152.4° | 173.4° |
| H12 | C17 | C16 | H14 | 161.4° | 173.1° |
| H13 | C17 | C16 | H14 | 38.9° | 66.9° |
| H14 | C16 | C15 | H15 | 5.4° | 7.7° |
| H15 | C15 | C14 | H16 | 119.9° | 67.0° |
| H15 | C15 | C14 | H17 | 121.8° | 173.1° |
| H16 | C14 | C13 | H18 | 154.2° | 173.5° |
| H17 | C14 | C13 | H18 | 35.8° | 66.6° |
| H18 | C13 | C12 | H19 | 3.5° | 7.1° |
| H19 | C12 | C11 | H20 | 39.7° | 67.8° |
| H19 | C12 | C11 | H21 | 160.0° | 172.2° |
| H20 | C11 | C10 | H22 | 89.9° | 176.6° |
| H21 | C11 | C10 | H22 | 149.7° | 63.5° |
| H22 | C10 | C9 | H23 | 0.7° | 7.9° |
| H23 | C9 | C8 | H24 | 166.2° | 59.7° |
| H23 | C9 | C8 | H25 | 44.8° | 179.7° |
| H26 | C4 | C3 | H28 | 141.8° | 180.0° |
| H26 | C4 | C3 | H29 | 97.2° | 60.0° |
| H27 | C4 | C3 | H28 | 21.5° | 60.0° |
| H27 | C4 | C3 | H29 | 142.5° | 180.0° |
| H28 | C3 | C2 | H30 | 130.7° | 180.0° |
| H28 | C3 | C2 | H31 | 111.2° | 60.0° |
| H29 | C3 | C2 | H30 | 9.7° | 60.0° |
| H29 | C3 | C2 | H31 | 127.8° | 180.0° |
