A1C3J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | N6 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | C7 | sing | 1.31Å | 1.32Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.45Å | Aromatic |
| C9 | N10 | sing | 1.38Å | 1.41Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O15 | sing | 1.43Å | 1.43Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C9 | N17 | doub | 1.33Å | 1.33Å | Aromatic |
| N17 | C18 | sing | 1.33Å | 1.33Å | Aromatic |
| C18 | O19 | sing | 1.35Å | 1.34Å | |
| O19 | C20 | sing | 1.43Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C22 | C23 | sing | 1.55Å | 1.53Å | |
| C23 | C24 | sing | 1.55Å | 1.51Å | |
| C24 | N25 | sing | 1.48Å | 1.51Å | |
| N25 | C26 | sing | 1.48Å | 1.51Å | |
| C26 | C27 | sing | 1.58Å | 1.50Å | |
| C27 | F28 | sing | 1.40Å | 1.42Å | |
| C27 | C29 | sing | 1.55Å | 1.53Å | |
| C18 | N30 | doub | 1.32Å | 1.34Å | Aromatic |
| N30 | C31 | sing | 1.34Å | 1.35Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | F33 | sing | 1.35Å | 1.35Å | |
| C4 | C34 | doub | 1.42Å | 1.44Å | Aromatic |
| C34 | C35 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | C36 | doub | 1.36Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.36Å | 1.37Å | Aromatic |
| C38 | C39 | sing | 1.41Å | 1.42Å | Aromatic |
| C39 | C40 | doub | 1.40Å | 1.41Å | Aromatic |
| C40 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | C34 | sing | 1.42Å | 1.43Å | Aromatic |
| C31 | C8 | sing | 1.42Å | 1.41Å | Aromatic |
| C16 | N10 | sing | 1.47Å | 1.47Å | |
| N25 | C21 | sing | 1.48Å | 1.55Å | |
| C29 | C21 | sing | 1.54Å | 1.54Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 116.7° | 119.5° |
| O1 | C2 | C40 | 122.1° | 119.6° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| C2 | C3 | C4 | 121.2° | 120.6° |
| C3 | C2 | C40 | 121.1° | 120.9° |
| C2 | C3 | H3 | 119.4° | 119.6° |
| C3 | C4 | C5 | 116.7° | 120.2° |
| C3 | C4 | C34 | 119.3° | 119.5° |
| C4 | C3 | H3 | 119.4° | 119.7° |
| C4 | C5 | N6 | 116.9° | 119.3° |
| C5 | C4 | C34 | 123.9° | 120.3° |
| C4 | C5 | C32 | 124.3° | 119.4° |
| C5 | N6 | C7 | 119.2° | 122.5° |
| N6 | C5 | C32 | 118.8° | 121.4° |
| N6 | C7 | C8 | 126.1° | 120.2° |
| N6 | C7 | H7 | 117.0° | 119.9° |
| C7 | C8 | C9 | 128.6° | 122.6° |
| C7 | C8 | C31 | 115.1° | 119.2° |
| C8 | C7 | H7 | 116.9° | 119.9° |
| C8 | C9 | N10 | 121.7° | 120.9° |
| C8 | C9 | N17 | 120.0° | 118.2° |
| C9 | C8 | C31 | 116.2° | 118.2° |
| C9 | N10 | C11 | 117.4° | 111.0° |
| N10 | C9 | N17 | 117.0° | 120.9° |
| C9 | N10 | C16 | 123.5° | 111.0° |
| N10 | C11 | C12 | 110.4° | 109.5° |
| C11 | N10 | C16 | 112.9° | 111.2° |
| N10 | C11 | H11A | 109.2° | 109.4° |
| N10 | C11 | H11B | 109.2° | 109.5° |
| C11 | C12 | C13 | 110.2° | 109.3° |
| C12 | C11 | H11A | 109.2° | 109.4° |
| C12 | C11 | H11B | 109.2° | 109.5° |
| C11 | C12 | H12A | 109.3° | 109.5° |
| C11 | C12 | H12B | 109.3° | 109.5° |
| C12 | C13 | C14 | 111.3° | 109.2° |
| C13 | C12 | H12A | 109.3° | 109.5° |
| C13 | C12 | H12B | 109.3° | 109.5° |
| C12 | C13 | H13A | 109.0° | 109.5° |
| C12 | C13 | H13B | 109.0° | 109.5° |
| C13 | C14 | O15 | 110.3° | 109.5° |
| C13 | C14 | C16 | 111.1° | 109.3° |
| C14 | C13 | H13A | 109.0° | 109.5° |
| C14 | C13 | H13B | 109.0° | 109.5° |
| C13 | C14 | H14 | 108.4° | 109.5° |
| O15 | C14 | C16 | 109.3° | 109.5° |
| O15 | C14 | H14 | 109.5° | 109.5° |
| C14 | O15 | H15 | 109.5° | 114.0° |
| C14 | C16 | N10 | 111.6° | 109.5° |
| C16 | C14 | H14 | 108.3° | 109.5° |
| C14 | C16 | H16A | 109.0° | 109.5° |
| C14 | C16 | H16B | 108.9° | 109.5° |
| C9 | N17 | C18 | 118.0° | 121.6° |
| N17 | C18 | O19 | 118.3° | 118.6° |
| N17 | C18 | N30 | 128.0° | 122.8° |
| C18 | O19 | C20 | 117.3° | 117.0° |
| O19 | C18 | N30 | 113.2° | 118.6° |
| O19 | C20 | C21 | 107.0° | 109.5° |
| O19 | C20 | H20A | 110.1° | 109.4° |
| O19 | C20 | H20B | 110.1° | 109.5° |
| C20 | C21 | C22 | 112.7° | 110.8° |
| C20 | C21 | N25 | 108.0° | 110.8° |
| C20 | C21 | C29 | 112.7° | 110.8° |
| C21 | C20 | H20A | 110.1° | 109.4° |
| C21 | C20 | H20B | 110.1° | 109.5° |
| C21 | C22 | C23 | 104.8° | 103.2° |
| C22 | C21 | N25 | 105.5° | 107.3° |
| C22 | C21 | C29 | 113.4° | 109.0° |
| C21 | C22 | H22A | 110.6° | 110.7° |
| C21 | C22 | H22B | 110.6° | 110.7° |
| C22 | C23 | C24 | 104.5° | 101.6° |
| C23 | C22 | H22A | 110.6° | 110.7° |
| C23 | C22 | H22B | 110.6° | 110.7° |
| C22 | C23 | H23A | 110.7° | 111.0° |
| C22 | C23 | H23B | 110.7° | 111.0° |
| C23 | C24 | N25 | 104.3° | 104.7° |
| C24 | C23 | H23A | 110.7° | 111.0° |
| C24 | C23 | H23B | 110.7° | 111.0° |
| C23 | C24 | H24A | 110.8° | 110.4° |
| C23 | C24 | H24B | 110.8° | 110.4° |
| C24 | N25 | C26 | 116.4° | 109.7° |
| C24 | N25 | C21 | 106.7° | 108.3° |
| N25 | C24 | H24A | 110.7° | 110.4° |
| N25 | C24 | H24B | 110.7° | 110.4° |
| N25 | C26 | C27 | 104.2° | 104.3° |
| C26 | N25 | C21 | 107.1° | 108.4° |
| N25 | C26 | H26A | 110.8° | 110.2° |
| N25 | C26 | H26B | 110.7° | 111.1° |
| C26 | C27 | F28 | 110.7° | 111.0° |
| C26 | C27 | C29 | 103.6° | 101.1° |
| C27 | C26 | H26A | 110.7° | 110.4° |
| C27 | C26 | H26B | 110.8° | 110.3° |
| C26 | C27 | H27 | 111.1° | 111.0° |
| F28 | C27 | C29 | 108.2° | 111.3° |
| F28 | C27 | H27 | 112.3° | 110.9° |
| C27 | C29 | C21 | 107.0° | 103.0° |
| C29 | C27 | H27 | 110.5° | 111.3° |
| C27 | C29 | H29A | 110.1° | 110.7° |
| C27 | C29 | H29B | 110.1° | 110.7° |
| C18 | N30 | C31 | 115.0° | 120.3° |
| N30 | C31 | C32 | 120.0° | 122.8° |
| N30 | C31 | C8 | 122.7° | 119.0° |
| C31 | C32 | F33 | 117.9° | 120.8° |
| C31 | C32 | C5 | 123.6° | 118.4° |
| C32 | C31 | C8 | 117.2° | 118.3° |
| F33 | C32 | C5 | 118.4° | 120.8° |
| C4 | C34 | C35 | 123.5° | 121.1° |
| C4 | C34 | C39 | 118.8° | 119.5° |
| C34 | C35 | C36 | 121.4° | 119.7° |
| C35 | C34 | C39 | 117.7° | 119.4° |
| C34 | C35 | H35 | 119.3° | 120.2° |
| C35 | C36 | C37 | 120.5° | 121.0° |
| C36 | C35 | H35 | 119.3° | 120.1° |
| C35 | C36 | H36 | 119.8° | 119.5° |
| C36 | C37 | C38 | 120.4° | 120.9° |
| C37 | C36 | H36 | 119.8° | 119.5° |
| C36 | C37 | H37 | 119.8° | 119.5° |
| C37 | C38 | C39 | 121.0° | 119.7° |
| C38 | C37 | H37 | 119.8° | 119.6° |
| C37 | C38 | H38 | 119.5° | 120.2° |
| C38 | C39 | C40 | 121.8° | 121.1° |
| C38 | C39 | C34 | 119.0° | 119.3° |
| C39 | C38 | H38 | 119.5° | 120.1° |
| C39 | C40 | C2 | 120.4° | 119.9° |
| C40 | C39 | C34 | 119.2° | 119.6° |
| C39 | C40 | H40 | 119.8° | 120.1° |
| C2 | C40 | H40 | 119.8° | 120.0° |
| N10 | C16 | H16A | 108.9° | 109.5° |
| N10 | C16 | H16B | 108.9° | 109.4° |
| N25 | C21 | C29 | 103.7° | 107.9° |
| C21 | C29 | H29A | 110.1° | 110.7° |
| C21 | C29 | H29B | 110.1° | 110.7° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.4° | 109.6° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 110.7° |
| H23A | C23 | H23B | 109.5° | 110.9° |
| H24A | C24 | H24B | 109.5° | 110.4° |
| H26A | C26 | H26B | 109.5° | 110.3° |
| H29A | C29 | H29B | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | C40 | 176.6° | 179.8° |
| O1 | C2 | C3 | C4 | 176.6° | 180.0° |
| O1 | C2 | C40 | C39 | 176.1° | 179.7° |
| O1 | C2 | C3 | H3 | 3.5° | 0.1° |
| O1 | C2 | C40 | H40 | 3.9° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 174.7° | 180.0° |
| C2 | C3 | C4 | C34 | 0.6° | 0.1° |
| C3 | C2 | C40 | C39 | 0.4° | 0.0° |
| C3 | C2 | O1 | H1 | 180.0° | 90.1° |
| C3 | C2 | C40 | H40 | 179.7° | 179.5° |
| C3 | C4 | C5 | C34 | 175.0° | 180.0° |
| C3 | C4 | C5 | N6 | 66.3° | 130.7° |
| C3 | C4 | C34 | C35 | 178.5° | 179.8° |
| C4 | C3 | C2 | C40 | 0.1° | 0.2° |
| C3 | C4 | C5 | C32 | 114.5° | 49.2° |
| C3 | C4 | C34 | C39 | 0.9° | 0.6° |
| C4 | C5 | N6 | C32 | 179.2° | 179.9° |
| C4 | C5 | N6 | C7 | 177.5° | 180.0° |
| C4 | C5 | C32 | C31 | 178.4° | 180.0° |
| C4 | C5 | C32 | F33 | 1.5° | 0.1° |
| C5 | C4 | C34 | C35 | 6.6° | 0.2° |
| C5 | C4 | C34 | C39 | 174.0° | 179.5° |
| C5 | C4 | C3 | H3 | 5.3° | 0.1° |
| C5 | N6 | C7 | C8 | 0.4° | 0.0° |
| N6 | C5 | C32 | C31 | 0.8° | 0.0° |
| N6 | C5 | C32 | F33 | 177.7° | 180.0° |
| N6 | C5 | C4 | C34 | 118.7° | 49.3° |
| C5 | N6 | C7 | H7 | 179.5° | 180.0° |
| N6 | C7 | C8 | H7 | 180.0° | 180.0° |
| N6 | C7 | C8 | C9 | 178.2° | 179.8° |
| C7 | N6 | C5 | C32 | 1.7° | 0.0° |
| N6 | C7 | C8 | C31 | 1.8° | 0.0° |
| C7 | C8 | C9 | C31 | 176.4° | 179.8° |
| C7 | C8 | C9 | N10 | 20.5° | 0.2° |
| C7 | C8 | C9 | N17 | 172.7° | 180.0° |
| C7 | C8 | C31 | N30 | 173.2° | 180.0° |
| C7 | C8 | C31 | C32 | 2.6° | 0.0° |
| C8 | C9 | N10 | N17 | 167.2° | 179.8° |
| C8 | C9 | N10 | C11 | 177.6° | 117.7° |
| C8 | C9 | N17 | C18 | 1.1° | 0.0° |
| C9 | C8 | C31 | N30 | 3.7° | 0.2° |
| C9 | C8 | C31 | C32 | 179.5° | 179.8° |
| C8 | C9 | N10 | C16 | 32.0° | 118.1° |
| C9 | C8 | C7 | H7 | 1.8° | 0.2° |
| C9 | N10 | C11 | C16 | 153.4° | 124.1° |
| C9 | N10 | C11 | C12 | 94.6° | 174.2° |
| C9 | N10 | C16 | C14 | 94.9° | 174.2° |
| N10 | C9 | N17 | C18 | 166.3° | 179.8° |
| N10 | C9 | C8 | C31 | 163.1° | 180.0° |
| C9 | N10 | C11 | H11A | 145.2° | 65.9° |
| C9 | N10 | C11 | H11B | 25.5° | 54.1° |
| C9 | N10 | C16 | H16A | 144.7° | 54.2° |
| C9 | N10 | C16 | H16B | 25.4° | 65.8° |
| N10 | C11 | C12 | H11A | 120.2° | 120.0° |
| N10 | C11 | C12 | H11B | 120.2° | 120.1° |
| N10 | C11 | C12 | C13 | 56.9° | 59.1° |
| C11 | N10 | C16 | C14 | 56.6° | 61.7° |
| C11 | N10 | C9 | N17 | 15.2° | 62.1° |
| N10 | C11 | H11A | H11B | 119.6° | 120.0° |
| N10 | C11 | C12 | H12A | 177.0° | 60.8° |
| N10 | C11 | C12 | H12B | 63.2° | 179.1° |
| C11 | N10 | C16 | H16A | 63.7° | 178.2° |
| C11 | N10 | C16 | H16B | 176.9° | 58.3° |
| C11 | C12 | C13 | H12A | 120.1° | 119.9° |
| C11 | C12 | C13 | H12B | 120.1° | 120.0° |
| C11 | C12 | C13 | C14 | 54.5° | 57.6° |
| C12 | C11 | N10 | C16 | 58.8° | 61.7° |
| C12 | C11 | H11A | H11B | 119.5° | 120.0° |
| C11 | C12 | H12A | H12B | 119.7° | 120.1° |
| C11 | C12 | C13 | H13A | 65.8° | 177.5° |
| C11 | C12 | C13 | H13B | 174.8° | 62.3° |
| C12 | C13 | C14 | H13A | 120.3° | 119.9° |
| C12 | C13 | C14 | H13B | 120.3° | 119.9° |
| C12 | C13 | C14 | O15 | 69.0° | 177.6° |
| C12 | C13 | C14 | C16 | 52.3° | 57.6° |
| C13 | C12 | C11 | H11A | 63.3° | 60.8° |
| C13 | C12 | C11 | H11B | 177.0° | 179.2° |
| C13 | C12 | H12A | H12B | 119.7° | 120.1° |
| C12 | C13 | H13A | H13B | 119.2° | 120.1° |
| C12 | C13 | C14 | H14 | 171.2° | 62.3° |
| C13 | C14 | O15 | C16 | 122.3° | 119.8° |
| C13 | C14 | O15 | H14 | 119.2° | 120.1° |
| C13 | C14 | C16 | H14 | 118.9° | 119.9° |
| C13 | C14 | C16 | N10 | 52.7° | 59.2° |
| C14 | C13 | C12 | H12A | 174.6° | 62.3° |
| C14 | C13 | C12 | H12B | 65.6° | 177.6° |
| C14 | C13 | H13A | H13B | 119.1° | 120.1° |
| C13 | C14 | C16 | H16A | 67.6° | 179.2° |
| C13 | C14 | C16 | H16B | 173.0° | 60.8° |
| C13 | C14 | O15 | H15 | 180.0° | 60.0° |
| O15 | C14 | C16 | H14 | 119.2° | 120.1° |
| O15 | C14 | C16 | N10 | 69.2° | 179.1° |
| O15 | C14 | C13 | H13A | 170.7° | 62.5° |
| O15 | C14 | C13 | H13B | 51.3° | 57.7° |
| O15 | C14 | C16 | H16A | 170.5° | 60.8° |
| O15 | C14 | C16 | H16B | 51.1° | 59.1° |
| C14 | C16 | N10 | H16A | 120.3° | 120.0° |
| C14 | C16 | N10 | H16B | 120.3° | 120.0° |
| C16 | C14 | C13 | H13A | 68.0° | 177.6° |
| C16 | C14 | C13 | H13B | 172.6° | 62.3° |
| C14 | C16 | H16A | H16B | 119.0° | 120.0° |
| C16 | C14 | O15 | H15 | 57.6° | 179.8° |
| C9 | N17 | C18 | O19 | 169.9° | 180.0° |
| C9 | N17 | C18 | N30 | 2.1° | 0.2° |
| N17 | C9 | C8 | C31 | 3.8° | 0.2° |
| N17 | C9 | N10 | C16 | 135.2° | 62.2° |
| N17 | C18 | O19 | N30 | 173.1° | 179.8° |
| N17 | C18 | O19 | C20 | 7.7° | 179.8° |
| N17 | C18 | N30 | C31 | 2.1° | 0.2° |
| C18 | O19 | C20 | C21 | 171.4° | 180.0° |
| O19 | C18 | N30 | C31 | 170.1° | 180.0° |
| C18 | O19 | C20 | H20A | 51.7° | 60.1° |
| C18 | O19 | C20 | H20B | 69.0° | 60.0° |
| O19 | C20 | C21 | H20A | 119.6° | 119.9° |
| O19 | C20 | C21 | H20B | 119.6° | 120.1° |
| O19 | C20 | C21 | C22 | 178.4° | 61.1° |
| C20 | O19 | C18 | N30 | 179.2° | 0.0° |
| O19 | C20 | C21 | N25 | 65.4° | 179.9° |
| O19 | C20 | C21 | C29 | 48.5° | 60.1° |
| O19 | C20 | H20A | H20B | 121.1° | 120.0° |
| C20 | C21 | C22 | N25 | 117.6° | 121.1° |
| C20 | C21 | C22 | C29 | 129.6° | 122.3° |
| C20 | C21 | C22 | C23 | 101.4° | 142.2° |
| C20 | C21 | N25 | C24 | 127.7° | 118.5° |
| C20 | C21 | N25 | C26 | 107.0° | 122.5° |
| C20 | C21 | C29 | C27 | 127.3° | 98.5° |
| C20 | C21 | N25 | C29 | 119.8° | 121.5° |
| C21 | C20 | H20A | H20B | 121.1° | 120.0° |
| C20 | C21 | C22 | H22A | 139.3° | 99.4° |
| C20 | C21 | C22 | H22B | 17.9° | 23.8° |
| C20 | C21 | C29 | H29A | 113.1° | 19.9° |
| C20 | C21 | C29 | H29B | 7.7° | 143.2° |
| C21 | C22 | C23 | H22A | 119.3° | 118.4° |
| C21 | C22 | C23 | H22B | 119.3° | 118.4° |
| C21 | C22 | C23 | C24 | 33.6° | 35.3° |
| C22 | C21 | N25 | C24 | 7.0° | 2.6° |
| C22 | C21 | N25 | C26 | 132.3° | 116.4° |
| C22 | C21 | C29 | C27 | 103.1° | 139.3° |
| C22 | C21 | N25 | C29 | 119.5° | 117.4° |
| C22 | C21 | C20 | H20A | 58.8° | 179.0° |
| C22 | C21 | C20 | H20B | 62.0° | 59.0° |
| C21 | C22 | H22A | H22B | 122.1° | 123.1° |
| C21 | C22 | C23 | H23A | 152.8° | 82.8° |
| C21 | C22 | C23 | H23B | 85.6° | 153.4° |
| C22 | C21 | C29 | H29A | 16.5° | 102.3° |
| C22 | C21 | C29 | H29B | 137.2° | 20.9° |
| C22 | C23 | C24 | H23A | 119.2° | 118.1° |
| C22 | C23 | C24 | H23B | 119.2° | 118.0° |
| C22 | C23 | C24 | N25 | 38.0° | 37.7° |
| C23 | C22 | C21 | N25 | 16.2° | 21.1° |
| C23 | C22 | C21 | C29 | 129.0° | 95.5° |
| C23 | C22 | H22A | H22B | 122.1° | 123.1° |
| C22 | C23 | H23A | H23B | 122.3° | 123.8° |
| C22 | C23 | C24 | H24A | 81.1° | 156.5° |
| C22 | C23 | C24 | H24B | 157.2° | 81.1° |
| C23 | C24 | N25 | H24A | 119.2° | 118.8° |
| C23 | C24 | N25 | H24B | 119.2° | 118.9° |
| C23 | C24 | N25 | C26 | 147.3° | 92.7° |
| C23 | C24 | N25 | C21 | 27.7° | 25.5° |
| C24 | C23 | C22 | H22A | 85.7° | 153.8° |
| C24 | C23 | C22 | H22B | 152.8° | 83.1° |
| C24 | C23 | H23A | H23B | 122.3° | 123.9° |
| C23 | C24 | H24A | H24B | 122.4° | 122.4° |
| C24 | N25 | C26 | C21 | 119.3° | 118.1° |
| C24 | N25 | C26 | C27 | 87.2° | 142.3° |
| C24 | N25 | C21 | C29 | 112.5° | 120.0° |
| N25 | C24 | C23 | H23A | 157.2° | 80.4° |
| N25 | C24 | C23 | H23B | 81.2° | 155.7° |
| N25 | C24 | H24A | H24B | 122.4° | 122.4° |
| C24 | N25 | C26 | H26A | 32.0° | 99.2° |
| C24 | N25 | C26 | H26B | 153.7° | 23.4° |
| N25 | C26 | C27 | H26A | 119.2° | 118.4° |
| N25 | C26 | C27 | H26B | 119.1° | 119.4° |
| N25 | C26 | C27 | F28 | 77.7° | 155.6° |
| N25 | C26 | C27 | C29 | 38.2° | 37.5° |
| C26 | N25 | C21 | C29 | 12.8° | 1.0° |
| C26 | N25 | C24 | H24A | 28.1° | 26.1° |
| C26 | N25 | C24 | H24B | 93.6° | 148.4° |
| N25 | C26 | H26A | H26B | 122.4° | 123.1° |
| N25 | C26 | C27 | H27 | 156.9° | 80.6° |
| C26 | C27 | F28 | C29 | 113.0° | 111.8° |
| C26 | C27 | F28 | H27 | 124.8° | 123.8° |
| C26 | C27 | C29 | H27 | 119.1° | 117.9° |
| C27 | C26 | N25 | C21 | 32.1° | 24.2° |
| C26 | C27 | C29 | C21 | 30.6° | 36.1° |
| C27 | C26 | H26A | H26B | 122.4° | 122.2° |
| C26 | C27 | C29 | H29A | 150.2° | 154.5° |
| C26 | C27 | C29 | H29B | 89.1° | 82.3° |
| F28 | C27 | C29 | H27 | 123.3° | 124.2° |
| F28 | C27 | C29 | C21 | 87.1° | 154.0° |
| F28 | C27 | C26 | H26A | 41.5° | 86.0° |
| F28 | C27 | C26 | H26B | 163.2° | 36.2° |
| F28 | C27 | C29 | H29A | 32.6° | 87.6° |
| F28 | C27 | C29 | H29B | 153.3° | 35.6° |
| C27 | C29 | C21 | N25 | 10.8° | 23.1° |
| C27 | C29 | C21 | H29A | 119.6° | 118.4° |
| C27 | C29 | C21 | H29B | 119.6° | 118.4° |
| C29 | C27 | C26 | H26A | 157.4° | 155.9° |
| C29 | C27 | C26 | H26B | 81.0° | 81.9° |
| C27 | C29 | H29A | H29B | 121.1° | 123.2° |
| C18 | N30 | C31 | C32 | 176.6° | 180.0° |
| C18 | N30 | C31 | C8 | 1.0° | 0.0° |
| N30 | C31 | C32 | C8 | 175.9° | 180.0° |
| N30 | C31 | C32 | F33 | 8.7° | 0.0° |
| N30 | C31 | C32 | C5 | 174.4° | 180.0° |
| C31 | C32 | F33 | C5 | 177.1° | 180.0° |
| F33 | C32 | C31 | C8 | 175.4° | 180.0° |
| C4 | C34 | C35 | C39 | 179.4° | 179.3° |
| C4 | C34 | C35 | C36 | 179.0° | 179.2° |
| C4 | C34 | C39 | C38 | 179.1° | 179.2° |
| C4 | C34 | C39 | C40 | 0.6° | 0.8° |
| C34 | C4 | C5 | C32 | 60.5° | 130.7° |
| C34 | C4 | C3 | H3 | 179.5° | 180.0° |
| C4 | C34 | C35 | H35 | 1.0° | 0.7° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.3° | 0.0° |
| C35 | C34 | C39 | C38 | 0.3° | 0.1° |
| C35 | C34 | C39 | C40 | 178.8° | 180.0° |
| C34 | C35 | C36 | H36 | 179.7° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.2° | 0.0° |
| C36 | C35 | C34 | C39 | 0.3° | 0.1° |
| C35 | C36 | C37 | H37 | 179.8° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.1° |
| C37 | C36 | C35 | H35 | 179.7° | 179.9° |
| C36 | C37 | C38 | H38 | 179.8° | 180.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 178.7° | 179.9° |
| C37 | C38 | C39 | C34 | 0.3° | 0.1° |
| C38 | C37 | C36 | H36 | 179.8° | 180.0° |
| C38 | C39 | C40 | C34 | 178.5° | 179.9° |
| C38 | C39 | C40 | C2 | 178.5° | 179.4° |
| C39 | C38 | C37 | H37 | 179.8° | 180.0° |
| C38 | C39 | C40 | H40 | 1.5° | 0.0° |
| C39 | C40 | C2 | H40 | 180.0° | 179.5° |
| C40 | C39 | C38 | H38 | 1.2° | 0.0° |
| C2 | C40 | C39 | C34 | 0.0° | 0.5° |
| C40 | C2 | C3 | H3 | 179.9° | 179.7° |
| C40 | C2 | O1 | H1 | 3.4° | 89.7° |
| C5 | C32 | C31 | C8 | 1.5° | 0.0° |
| C39 | C34 | C35 | H35 | 179.6° | 180.0° |
| C34 | C39 | C38 | H38 | 179.7° | 179.9° |
| C34 | C39 | C40 | H40 | 180.0° | 180.0° |
| C31 | C8 | C7 | H7 | 178.2° | 180.0° |
| C16 | N10 | C11 | H11A | 61.3° | 58.3° |
| C16 | N10 | C11 | H11B | 178.9° | 178.2° |
| N10 | C16 | C14 | H14 | 171.6° | 60.8° |
| N10 | C16 | H16A | H16B | 119.0° | 120.0° |
| N25 | C21 | C20 | H20A | 174.9° | 60.0° |
| N25 | C21 | C20 | H20B | 54.2° | 60.0° |
| N25 | C21 | C22 | H22A | 103.0° | 139.5° |
| N25 | C21 | C22 | H22B | 135.5° | 97.3° |
| C21 | N25 | C24 | H24A | 91.4° | 144.3° |
| C21 | N25 | C24 | H24B | 146.9° | 93.4° |
| C21 | N25 | C26 | H26A | 151.3° | 142.7° |
| C21 | N25 | C26 | H26B | 87.0° | 94.7° |
| N25 | C21 | C29 | H29A | 130.5° | 141.5° |
| N25 | C21 | C29 | H29B | 108.8° | 95.3° |
| C29 | C21 | C20 | H20A | 71.2° | 59.8° |
| C29 | C21 | C20 | H20B | 168.1° | 179.8° |
| C29 | C21 | C22 | H22A | 9.8° | 22.9° |
| C29 | C21 | C22 | H22B | 111.7° | 146.1° |
| C21 | C29 | C27 | H27 | 149.6° | 81.8° |
| C21 | C29 | H29A | H29B | 121.1° | 123.2° |
| H11A | C11 | C12 | H12A | 56.9° | 179.2° |
| H11A | C11 | C12 | H12B | 176.6° | 59.1° |
| H11B | C11 | C12 | H12A | 62.8° | 59.3° |
| H11B | C11 | C12 | H12B | 56.9° | 60.8° |
| H12A | C12 | C13 | H13A | 54.3° | 57.6° |
| H12A | C12 | C13 | H13B | 65.1° | 177.8° |
| H12B | C12 | C13 | H13A | 174.1° | 62.5° |
| H12B | C12 | C13 | H13B | 54.7° | 57.7° |
| H13A | C13 | C14 | H14 | 50.9° | 57.6° |
| H13B | C13 | C14 | H14 | 68.5° | 177.8° |
| H14 | C14 | C16 | H16A | 51.3° | 59.2° |
| H14 | C14 | C16 | H16B | 68.1° | 179.2° |
| H14 | C14 | O15 | H15 | 60.9° | 60.1° |
| H22A | C22 | C23 | H23A | 33.5° | 35.6° |
| H22A | C22 | C23 | H23B | 155.1° | 88.2° |
| H22B | C22 | C23 | H23A | 88.0° | 158.8° |
| H22B | C22 | C23 | H23B | 33.6° | 35.0° |
| H23A | C23 | C24 | H24A | 38.1° | 38.4° |
| H23A | C23 | C24 | H24B | 83.6° | 160.8° |
| H23B | C23 | C24 | H24A | 159.6° | 85.5° |
| H23B | C23 | C24 | H24B | 38.0° | 36.9° |
| H26A | C26 | C27 | H27 | 83.9° | 37.8° |
| H26B | C26 | C27 | H27 | 37.7° | 160.0° |
| H27 | C27 | C29 | H29A | 90.7° | 36.6° |
| H27 | C27 | C29 | H29B | 30.0° | 159.8° |
| H35 | C35 | C36 | H36 | 0.3° | 0.1° |
| H36 | C36 | C37 | H37 | 0.2° | 0.0° |
| H37 | C37 | C38 | H38 | 0.2° | 0.0° |
