5AF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C5 | sing | 1.53Å | 1.55Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | C8 | sing | 1.53Å | 1.55Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | N17 | sing | 1.47Å | 1.46Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| N17 | C19 | sing | 1.47Å | 1.34Å | |
| N17 | H18 | sing | 1.01Å | 1.00Å | |
| C19 | N20 | sing | 1.47Å | 1.33Å | |
| C19 | C23 | sing | 1.51Å | 1.37Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | H21 | sing | 1.01Å | 1.00Å | |
| N20 | H22 | sing | 1.01Å | 1.00Å | |
| C23 | C28 | doub | 1.38Å | 1.45Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.45Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.40Å | 1.43Å | Aromatic |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C32 | sing | 1.40Å | 1.44Å | Aromatic |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.48Å | 1.38Å | Aromatic |
| C33 | O38 | sing | 1.35Å | 1.36Å | Aromatic |
| C33 | C34 | doub | 1.36Å | 1.44Å | Aromatic |
| O38 | C39 | sing | 1.35Å | 1.36Å | Aromatic |
| C34 | C36 | sing | 1.40Å | 1.38Å | Aromatic |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C39 | doub | 1.36Å | 1.44Å | Aromatic |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | C40 | sing | 1.48Å | 1.38Å | Aromatic |
| C40 | C45 | sing | 1.40Å | 1.44Å | Aromatic |
| C40 | C41 | doub | 1.40Å | 1.43Å | Aromatic |
| C45 | C47 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | C49 | sing | 1.38Å | 1.45Å | Aromatic |
| C47 | H48 | sing | 1.08Å | 1.08Å | |
| C41 | C43 | sing | 1.38Å | 1.37Å | Aromatic |
| C41 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | C49 | doub | 1.38Å | 1.44Å | Aromatic |
| C43 | H44 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | sing | 1.51Å | 1.37Å | |
| C50 | N51 | sing | 1.47Å | 1.33Å | |
| C50 | N54 | sing | 1.47Å | 1.33Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| N51 | H52 | sing | 1.01Å | 1.00Å | |
| N51 | H53 | sing | 1.01Å | 1.00Å | |
| N54 | C56 | sing | 1.47Å | 1.46Å | |
| N54 | H55 | sing | 1.01Å | 1.00Å | |
| C56 | C65 | sing | 1.53Å | 1.55Å | |
| C56 | C58 | sing | 1.53Å | 1.55Å | |
| C56 | H57 | sing | 1.09Å | 1.10Å | |
| C65 | C68 | sing | 1.53Å | 1.54Å | |
| C65 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H66 | sing | 1.09Å | 1.10Å | |
| C68 | H70 | sing | 1.09Å | 1.10Å | |
| C68 | H69 | sing | 1.09Å | 1.10Å | |
| C68 | H71 | sing | 1.09Å | 1.10Å | |
| C58 | C61 | sing | 1.53Å | 1.54Å | |
| C58 | H59 | sing | 1.09Å | 1.10Å | |
| C58 | H60 | sing | 1.09Å | 1.10Å | |
| C61 | H64 | sing | 1.09Å | 1.10Å | |
| C61 | H62 | sing | 1.09Å | 1.10Å | |
| C61 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | H2 | 109.5° | 109.5° |
| C5 | C1 | H4 | 109.5° | 109.5° |
| C5 | C1 | H3 | 109.5° | 109.4° |
| C1 | C5 | C8 | 113.3° | 109.5° |
| C1 | C5 | H6 | 107.3° | 109.4° |
| C1 | C5 | H7 | 108.2° | 109.5° |
| H2 | C1 | H4 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| C8 | C5 | H6 | 107.4° | 109.5° |
| C8 | C5 | H7 | 108.2° | 109.5° |
| C5 | C8 | C9 | 114.1° | 109.5° |
| C5 | C8 | N17 | 107.4° | 109.5° |
| C5 | C8 | H16 | 106.6° | 109.5° |
| H6 | C5 | H7 | 112.5° | 109.5° |
| C9 | C8 | N17 | 105.7° | 109.5° |
| C9 | C8 | H16 | 108.3° | 109.4° |
| C8 | C9 | C10 | 115.6° | 109.5° |
| C8 | C9 | H15 | 107.5° | 109.5° |
| C8 | C9 | H14 | 106.1° | 109.5° |
| N17 | C8 | H16 | 114.9° | 109.5° |
| C8 | N17 | C19 | 129.4° | 106.7° |
| C8 | N17 | H18 | 103.3° | 106.7° |
| C10 | C9 | H15 | 107.5° | 109.5° |
| C10 | C9 | H14 | 106.1° | 109.5° |
| C9 | C10 | H11 | 109.4° | 109.5° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.4° | 109.5° |
| H15 | C9 | H14 | 114.4° | 109.4° |
| H11 | C10 | H13 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C10 | H12 | 109.5° | 109.5° |
| C19 | N17 | H18 | 103.3° | 106.7° |
| N17 | C19 | N20 | 110.6° | 109.5° |
| N17 | C19 | C23 | 124.0° | 109.4° |
| N17 | C19 | H19 | 118.5° | 109.5° |
| N20 | C19 | C23 | 124.8° | 109.5° |
| N20 | C19 | H19 | 114.6° | 109.5° |
| C19 | N20 | H21 | 109.5° | 106.7° |
| C19 | N20 | H22 | 109.5° | 106.7° |
| C23 | C19 | H19 | 44.9° | 109.5° |
| C19 | C23 | C28 | 121.5° | 119.8° |
| C19 | C23 | C24 | 121.6° | 119.9° |
| H21 | N20 | H22 | 109.5° | 106.7° |
| C28 | C23 | C24 | 116.8° | 120.3° |
| C23 | C28 | C30 | 122.2° | 120.2° |
| C23 | C28 | H29 | 118.9° | 119.9° |
| C23 | C24 | C26 | 121.5° | 120.1° |
| C23 | C24 | H25 | 119.3° | 120.0° |
| C30 | C28 | H29 | 118.9° | 119.9° |
| C28 | C30 | C32 | 119.4° | 119.8° |
| C28 | C30 | H31 | 120.3° | 120.1° |
| C32 | C30 | H31 | 120.3° | 120.1° |
| C30 | C32 | C26 | 119.9° | 119.7° |
| C30 | C32 | C33 | 122.2° | 120.1° |
| C26 | C24 | H25 | 119.3° | 119.9° |
| C24 | C26 | C32 | 120.1° | 119.8° |
| C24 | C26 | H27 | 119.9° | 120.1° |
| C32 | C26 | H27 | 120.0° | 120.1° |
| C26 | C32 | C33 | 117.8° | 120.1° |
| C32 | C33 | O38 | 124.1° | 125.8° |
| C32 | C33 | C34 | 125.4° | 125.8° |
| O38 | C33 | C34 | 110.5° | 108.4° |
| C33 | O38 | C39 | 106.9° | 109.4° |
| C33 | C34 | C36 | 106.1° | 106.9° |
| C33 | C34 | H35 | 126.9° | 126.5° |
| O38 | C39 | C36 | 110.5° | 108.3° |
| O38 | C39 | C40 | 124.0° | 125.8° |
| C36 | C34 | H35 | 127.0° | 126.6° |
| C34 | C36 | C39 | 106.1° | 107.0° |
| C34 | C36 | H37 | 126.9° | 126.5° |
| C39 | C36 | H37 | 127.0° | 126.5° |
| C36 | C39 | C40 | 125.4° | 125.9° |
| C39 | C40 | C45 | 123.1° | 120.1° |
| C39 | C40 | C41 | 117.2° | 120.2° |
| C45 | C40 | C41 | 119.8° | 119.7° |
| C40 | C45 | C47 | 119.5° | 119.8° |
| C40 | C45 | H46 | 120.3° | 120.1° |
| C40 | C41 | C43 | 119.6° | 119.9° |
| C40 | C41 | H42 | 120.2° | 120.1° |
| C47 | C45 | H46 | 120.3° | 120.1° |
| C45 | C47 | C49 | 122.2° | 120.1° |
| C45 | C47 | H48 | 118.9° | 119.9° |
| C49 | C47 | H48 | 118.9° | 120.0° |
| C47 | C49 | C43 | 116.1° | 120.4° |
| C47 | C49 | C50 | 123.1° | 119.8° |
| C43 | C41 | H42 | 120.2° | 120.1° |
| C41 | C43 | C49 | 122.8° | 120.1° |
| C41 | C43 | H44 | 118.6° | 119.9° |
| C49 | C43 | H44 | 118.6° | 119.9° |
| C43 | C49 | C50 | 120.8° | 119.8° |
| C49 | C50 | N51 | 125.6° | 109.5° |
| C49 | C50 | N54 | 124.9° | 109.5° |
| C49 | C50 | H50 | 34.0° | 109.5° |
| N51 | C50 | N54 | 109.2° | 109.5° |
| N51 | C50 | H50 | 118.6° | 109.5° |
| C50 | N51 | H52 | 109.4° | 106.7° |
| C50 | N51 | H53 | 109.5° | 106.7° |
| N54 | C50 | H50 | 122.4° | 109.5° |
| C50 | N54 | C56 | 125.7° | 106.7° |
| C50 | N54 | H55 | 104.4° | 106.7° |
| H52 | N51 | H53 | 109.5° | 106.7° |
| C56 | N54 | H55 | 104.4° | 106.7° |
| N54 | C56 | C65 | 108.3° | 109.4° |
| N54 | C56 | C58 | 107.4° | 109.4° |
| N54 | C56 | H57 | 113.0° | 109.5° |
| C65 | C56 | C58 | 113.3° | 109.5° |
| C65 | C56 | H57 | 107.0° | 109.5° |
| C56 | C65 | C68 | 112.8° | 109.5° |
| C56 | C65 | H67 | 108.4° | 109.4° |
| C56 | C65 | H66 | 107.6° | 109.5° |
| C58 | C56 | H57 | 108.0° | 109.5° |
| C56 | C58 | C61 | 114.0° | 109.5° |
| C56 | C58 | H59 | 107.0° | 109.5° |
| C56 | C58 | H60 | 108.0° | 109.5° |
| C68 | C65 | H67 | 108.4° | 109.5° |
| C68 | C65 | H66 | 107.6° | 109.5° |
| C65 | C68 | H70 | 109.5° | 109.5° |
| C65 | C68 | H69 | 109.5° | 109.4° |
| C65 | C68 | H71 | 109.4° | 109.5° |
| H67 | C65 | H66 | 112.1° | 109.5° |
| H70 | C68 | H69 | 109.5° | 109.5° |
| H70 | C68 | H71 | 109.5° | 109.5° |
| H69 | C68 | H71 | 109.5° | 109.4° |
| C61 | C58 | H59 | 106.9° | 109.4° |
| C61 | C58 | H60 | 108.0° | 109.4° |
| C58 | C61 | H64 | 109.5° | 109.5° |
| C58 | C61 | H62 | 109.5° | 109.4° |
| C58 | C61 | H63 | 109.5° | 109.5° |
| H59 | C58 | H60 | 113.1° | 109.4° |
| H64 | C61 | H62 | 109.4° | 109.5° |
| H64 | C61 | H63 | 109.5° | 109.5° |
| H62 | C61 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | H2 | H4 | 120.0° | 120.0° |
| C5 | C1 | H2 | H3 | 120.0° | 120.0° |
| C5 | C1 | H4 | H3 | 120.0° | 120.0° |
| C1 | C5 | C8 | H6 | 118.3° | 120.0° |
| C1 | C5 | C8 | H7 | 120.0° | 120.0° |
| C1 | C5 | H6 | H7 | 119.0° | 120.0° |
| C1 | C5 | C8 | C9 | 93.8° | 174.9° |
| C1 | C5 | C8 | N17 | 149.4° | 65.1° |
| C1 | C5 | C8 | H16 | 25.7° | 54.9° |
| H2 | C1 | H4 | H3 | 120.0° | 120.0° |
| H2 | C1 | C5 | C8 | 138.0° | 50.2° |
| H2 | C1 | C5 | H6 | 19.6° | 69.8° |
| H2 | C1 | C5 | H7 | 102.1° | 170.2° |
| H4 | C1 | C5 | C8 | 102.0° | 170.2° |
| H4 | C1 | C5 | H6 | 139.6° | 50.2° |
| H4 | C1 | C5 | H7 | 17.9° | 69.8° |
| H3 | C1 | C5 | C8 | 18.0° | 69.8° |
| H3 | C1 | C5 | H6 | 100.4° | 170.2° |
| H3 | C1 | C5 | H7 | 137.9° | 50.2° |
| C8 | C5 | H6 | H7 | 118.9° | 120.0° |
| C5 | C8 | C9 | N17 | 117.8° | 120.0° |
| C5 | C8 | C9 | H16 | 118.5° | 120.0° |
| C5 | C8 | N17 | H16 | 118.4° | 120.1° |
| C5 | C8 | C9 | C10 | 58.8° | 175.0° |
| C5 | C8 | C9 | H15 | 178.8° | 65.0° |
| C5 | C8 | C9 | H14 | 58.4° | 55.0° |
| C5 | C8 | N17 | C19 | 124.3° | 99.2° |
| C5 | C8 | N17 | H18 | 4.3° | 147.0° |
| H6 | C5 | C8 | C9 | 24.5° | 54.9° |
| H6 | C5 | C8 | N17 | 92.3° | 174.9° |
| H6 | C5 | C8 | H16 | 144.1° | 65.0° |
| H7 | C5 | C8 | C9 | 146.2° | 65.1° |
| H7 | C5 | C8 | N17 | 29.4° | 54.9° |
| H7 | C5 | C8 | H16 | 94.2° | 174.9° |
| C9 | C8 | N17 | H16 | 119.4° | 119.9° |
| C8 | C9 | C10 | H15 | 120.0° | 120.0° |
| C8 | C9 | C10 | H14 | 117.2° | 120.0° |
| C8 | C9 | H15 | H14 | 117.5° | 120.0° |
| C8 | C9 | C10 | H11 | 89.3° | 60.0° |
| C8 | C9 | C10 | H13 | 30.7° | 180.0° |
| C8 | C9 | C10 | H12 | 150.7° | 60.0° |
| C9 | C8 | N17 | C19 | 113.5° | 140.8° |
| C9 | C8 | N17 | H18 | 126.5° | 27.0° |
| N17 | C8 | C9 | C10 | 176.6° | 65.0° |
| N17 | C8 | C9 | H15 | 63.4° | 55.0° |
| N17 | C8 | C9 | H14 | 59.4° | 175.0° |
| C8 | N17 | C19 | H18 | 120.0° | 113.7° |
| C8 | N17 | C19 | N20 | 43.7° | 100.1° |
| C8 | N17 | C19 | C23 | 144.2° | 139.8° |
| C8 | N17 | C19 | H19 | 91.5° | 19.9° |
| H16 | C8 | C9 | C10 | 59.7° | 55.0° |
| H16 | C8 | C9 | H15 | 60.2° | 175.0° |
| H16 | C8 | C9 | H14 | 177.0° | 65.0° |
| H16 | C8 | N17 | C19 | 5.9° | 20.8° |
| H16 | C8 | N17 | H18 | 114.1° | 92.9° |
| C10 | C9 | H15 | H14 | 117.5° | 120.0° |
| C9 | C10 | H11 | H13 | 120.0° | 120.0° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| C9 | C10 | H13 | H12 | 120.0° | 120.0° |
| H15 | C9 | C10 | H11 | 150.7° | 60.0° |
| H15 | C9 | C10 | H13 | 89.3° | 60.0° |
| H15 | C9 | C10 | H12 | 30.7° | 180.0° |
| H14 | C9 | C10 | H11 | 27.9° | 180.0° |
| H14 | C9 | C10 | H13 | 147.9° | 60.0° |
| H14 | C9 | C10 | H12 | 92.1° | 60.1° |
| H11 | C10 | H13 | H12 | 120.1° | 120.0° |
| N17 | C19 | N20 | C23 | 172.0° | 120.0° |
| N17 | C19 | N20 | H19 | 137.1° | 120.0° |
| N17 | C19 | C23 | H19 | 98.0° | 120.0° |
| N17 | C19 | N20 | H21 | 67.0° | 173.7° |
| N17 | C19 | N20 | H22 | 172.9° | 60.0° |
| N17 | C19 | C23 | C28 | 5.1° | 143.4° |
| N17 | C19 | C23 | C24 | 173.6° | 36.9° |
| H18 | N17 | C19 | N20 | 163.7° | 146.1° |
| H18 | N17 | C19 | C23 | 24.2° | 26.1° |
| H18 | N17 | C19 | H19 | 28.5° | 93.9° |
| N20 | C19 | C23 | H19 | 91.1° | 120.0° |
| C19 | N20 | H21 | H22 | 120.0° | 113.7° |
| N20 | C19 | C23 | C28 | 176.0° | 23.4° |
| N20 | C19 | C23 | C24 | 2.7° | 156.9° |
| C23 | C19 | N20 | H21 | 105.0° | 53.8° |
| C23 | C19 | N20 | H22 | 15.1° | 60.0° |
| C19 | C23 | C28 | C24 | 178.8° | 179.7° |
| C19 | C23 | C28 | C30 | 178.1° | 180.0° |
| C19 | C23 | C28 | H29 | 1.9° | 0.0° |
| C19 | C23 | C24 | C26 | 176.4° | 179.7° |
| C19 | C23 | C24 | H25 | 3.5° | 0.3° |
| H19 | C19 | N20 | H21 | 155.8° | 66.2° |
| H19 | C19 | N20 | H22 | 35.8° | 180.0° |
| H19 | C19 | C23 | C28 | 92.9° | 96.7° |
| H19 | C19 | C23 | C24 | 88.4° | 83.1° |
| C23 | C28 | C30 | H29 | 180.0° | 180.0° |
| C23 | C28 | C30 | C32 | 1.1° | 0.0° |
| C23 | C28 | C30 | H31 | 178.9° | 180.0° |
| C28 | C23 | C24 | C26 | 2.3° | 0.6° |
| C28 | C23 | C24 | H25 | 177.7° | 180.0° |
| C24 | C23 | C28 | C30 | 0.7° | 0.3° |
| C24 | C23 | C28 | H29 | 179.3° | 179.8° |
| C23 | C24 | C26 | H25 | 180.0° | 179.5° |
| C23 | C24 | C26 | C32 | 2.1° | 0.6° |
| C23 | C24 | C26 | H27 | 177.9° | 179.7° |
| C28 | C30 | C32 | H31 | 180.0° | 180.0° |
| C28 | C30 | C32 | C26 | 1.3° | 0.0° |
| C28 | C30 | C32 | C33 | 177.2° | 180.0° |
| H29 | C28 | C30 | C32 | 178.9° | 180.0° |
| H29 | C28 | C30 | H31 | 1.1° | 0.0° |
| C30 | C32 | C26 | C24 | 0.3° | 0.3° |
| C30 | C32 | C26 | C33 | 178.5° | 179.9° |
| C30 | C32 | C26 | H27 | 179.7° | 180.0° |
| C30 | C32 | C33 | O38 | 172.7° | 0.1° |
| C30 | C32 | C33 | C34 | 4.7° | 179.7° |
| H31 | C30 | C32 | C26 | 178.7° | 180.0° |
| H31 | C30 | C32 | C33 | 2.8° | 0.0° |
| C24 | C26 | C32 | H27 | 180.0° | 179.7° |
| C24 | C26 | C32 | C33 | 178.8° | 179.7° |
| H25 | C24 | C26 | C32 | 177.9° | 180.0° |
| H25 | C24 | C26 | H27 | 2.1° | 0.3° |
| C26 | C32 | C33 | O38 | 5.8° | 180.0° |
| C26 | C32 | C33 | C34 | 176.8° | 0.3° |
| H27 | C26 | C32 | C33 | 1.2° | 0.1° |
| C32 | C33 | O38 | C34 | 177.8° | 179.7° |
| C32 | C33 | O38 | C39 | 177.9° | 180.0° |
| C32 | C33 | C34 | C36 | 178.5° | 179.9° |
| C32 | C33 | C34 | H35 | 1.5° | 0.2° |
| O38 | C33 | C34 | C36 | 0.8° | 0.4° |
| O38 | C33 | C34 | H35 | 179.2° | 179.9° |
| C33 | O38 | C39 | C36 | 0.5° | 0.0° |
| C33 | O38 | C39 | C40 | 177.6° | 180.0° |
| C34 | C33 | O38 | C39 | 0.2° | 0.3° |
| C33 | C34 | C36 | H35 | 180.0° | 179.7° |
| C33 | C34 | C36 | C39 | 1.0° | 0.4° |
| C33 | C34 | C36 | H37 | 179.0° | 179.8° |
| O38 | C39 | C36 | C34 | 1.0° | 0.2° |
| O38 | C39 | C36 | C40 | 178.1° | 180.0° |
| O38 | C39 | C36 | H37 | 179.1° | 180.0° |
| O38 | C39 | C40 | C45 | 177.1° | 179.7° |
| O38 | C39 | C40 | C41 | 3.6° | 0.0° |
| C34 | C36 | C39 | H37 | 180.0° | 179.8° |
| C34 | C36 | C39 | C40 | 177.1° | 179.8° |
| H35 | C34 | C36 | C39 | 179.0° | 180.0° |
| H35 | C34 | C36 | H37 | 1.0° | 0.2° |
| C36 | C39 | C40 | C45 | 5.0° | 0.2° |
| C36 | C39 | C40 | C41 | 174.2° | 179.9° |
| H37 | C36 | C39 | C40 | 2.9° | 0.1° |
| C39 | C40 | C45 | C41 | 179.2° | 179.7° |
| C39 | C40 | C45 | C47 | 178.2° | 179.8° |
| C39 | C40 | C45 | H46 | 1.8° | 0.3° |
| C39 | C40 | C41 | C43 | 179.8° | 180.0° |
| C39 | C40 | C41 | H42 | 0.2° | 0.1° |
| C40 | C45 | C47 | H46 | 180.0° | 179.5° |
| C40 | C45 | C47 | C49 | 1.5° | 0.5° |
| C40 | C45 | C47 | H48 | 178.5° | 179.7° |
| C45 | C40 | C41 | C43 | 0.5° | 0.3° |
| C45 | C40 | C41 | H42 | 179.5° | 179.8° |
| C41 | C40 | C45 | C47 | 2.5° | 0.5° |
| C41 | C40 | C45 | H46 | 177.5° | 180.0° |
| C40 | C41 | C43 | H42 | 180.0° | 180.0° |
| C40 | C41 | C43 | C49 | 2.7° | 0.0° |
| C40 | C41 | C43 | H44 | 177.3° | 179.9° |
| C45 | C47 | C49 | H48 | 180.0° | 179.8° |
| C45 | C47 | C49 | C43 | 1.5° | 0.3° |
| C45 | C47 | C49 | C50 | 177.5° | 179.8° |
| H46 | C45 | C47 | C49 | 178.5° | 180.0° |
| H46 | C45 | C47 | H48 | 1.4° | 0.2° |
| C47 | C49 | C43 | C41 | 3.7° | 0.0° |
| C47 | C49 | C43 | C50 | 179.1° | 180.0° |
| C47 | C49 | C43 | H44 | 176.4° | 179.9° |
| C47 | C49 | C50 | N51 | 175.2° | 150.0° |
| C47 | C49 | C50 | N54 | 2.4° | 30.0° |
| C47 | C49 | C50 | H50 | 95.3° | 90.0° |
| H48 | C47 | C49 | C43 | 178.5° | 179.9° |
| H48 | C47 | C49 | C50 | 2.5° | 0.0° |
| C41 | C43 | C49 | H44 | 180.0° | 179.9° |
| C41 | C43 | C49 | C50 | 175.4° | 180.0° |
| H42 | C41 | C43 | C49 | 177.3° | 180.0° |
| H42 | C41 | C43 | H44 | 2.7° | 0.0° |
| C43 | C49 | C50 | N51 | 3.8° | 30.0° |
| C43 | C49 | C50 | N54 | 176.6° | 150.0° |
| C43 | C49 | C50 | H50 | 85.7° | 90.0° |
| H44 | C43 | C49 | C50 | 4.6° | 0.1° |
| C49 | C50 | N51 | N54 | 173.7° | 120.0° |
| C49 | C50 | N51 | H50 | 39.5° | 120.0° |
| C49 | C50 | N54 | H50 | 41.0° | 120.0° |
| C49 | C50 | N51 | H52 | 92.8° | 65.3° |
| C49 | C50 | N51 | H53 | 147.2° | 179.0° |
| C49 | C50 | N54 | C56 | 95.6° | 140.5° |
| C49 | C50 | N54 | H55 | 144.4° | 105.8° |
| N51 | C50 | N54 | H50 | 145.3° | 120.0° |
| C50 | N51 | H52 | H53 | 120.0° | 113.7° |
| N51 | C50 | N54 | C56 | 90.6° | 99.5° |
| N51 | C50 | N54 | H55 | 29.4° | 14.2° |
| N54 | C50 | N51 | H52 | 93.5° | 54.7° |
| N54 | C50 | N51 | H53 | 26.5° | 59.0° |
| C50 | N54 | C56 | H55 | 120.0° | 113.7° |
| C50 | N54 | C56 | C65 | 134.8° | 149.4° |
| C50 | N54 | C56 | C58 | 102.6° | 90.6° |
| C50 | N54 | C56 | H57 | 16.4° | 29.4° |
| H50 | C50 | N51 | H52 | 53.2° | 174.7° |
| H50 | C50 | N51 | H53 | 173.2° | 61.0° |
| H50 | C50 | N54 | C56 | 54.6° | 20.5° |
| H50 | C50 | N54 | H55 | 174.7° | 134.2° |
| N54 | C56 | C65 | C58 | 119.0° | 120.0° |
| N54 | C56 | C65 | H57 | 122.1° | 120.0° |
| N54 | C56 | C58 | H57 | 122.1° | 120.0° |
| N54 | C56 | C65 | C68 | 143.8° | 65.4° |
| N54 | C56 | C65 | H67 | 96.2° | 174.6° |
| N54 | C56 | C65 | H66 | 25.3° | 54.6° |
| N54 | C56 | C58 | C61 | 178.6° | 65.0° |
| N54 | C56 | C58 | H59 | 63.4° | 175.0° |
| N54 | C56 | C58 | H60 | 58.6° | 55.0° |
| H55 | N54 | C56 | C65 | 105.2° | 35.6° |
| H55 | N54 | C56 | C58 | 17.4° | 155.6° |
| H55 | N54 | C56 | H57 | 136.4° | 84.4° |
| C65 | C56 | C58 | H57 | 118.3° | 120.1° |
| C56 | C65 | C68 | H67 | 120.0° | 119.9° |
| C56 | C65 | C68 | H66 | 118.6° | 120.0° |
| C56 | C65 | H67 | H66 | 118.6° | 120.0° |
| C56 | C65 | C68 | H70 | 47.6° | 173.7° |
| C56 | C65 | C68 | H69 | 72.4° | 66.3° |
| C56 | C65 | C68 | H71 | 167.6° | 53.6° |
| C65 | C56 | C58 | C61 | 61.8° | 175.0° |
| C65 | C56 | C58 | H59 | 56.1° | 55.1° |
| C65 | C56 | C58 | H60 | 178.1° | 65.0° |
| C58 | C56 | C65 | C68 | 97.2° | 174.6° |
| C58 | C56 | C65 | H67 | 22.8° | 54.7° |
| C58 | C56 | C65 | H66 | 144.3° | 65.3° |
| C56 | C58 | C61 | H59 | 118.0° | 120.0° |
| C56 | C58 | C61 | H60 | 120.0° | 120.1° |
| C56 | C58 | H59 | H60 | 118.8° | 120.1° |
| C56 | C58 | C61 | H64 | 60.2° | 180.0° |
| C56 | C58 | C61 | H62 | 59.8° | 60.0° |
| C56 | C58 | C61 | H63 | 179.8° | 59.9° |
| H57 | C56 | C65 | C68 | 21.7° | 54.6° |
| H57 | C56 | C65 | H67 | 141.7° | 65.4° |
| H57 | C56 | C65 | H66 | 96.8° | 174.6° |
| H57 | C56 | C58 | C61 | 56.5° | 55.0° |
| H57 | C56 | C58 | H59 | 174.5° | 65.0° |
| H57 | C56 | C58 | H60 | 63.5° | 175.0° |
| C68 | C65 | H67 | H66 | 118.6° | 120.1° |
| C65 | C68 | H70 | H69 | 120.0° | 120.0° |
| C65 | C68 | H70 | H71 | 120.0° | 120.1° |
| C65 | C68 | H69 | H71 | 120.0° | 120.0° |
| H67 | C65 | C68 | H70 | 167.6° | 53.8° |
| H67 | C65 | C68 | H69 | 47.6° | 173.7° |
| H67 | C65 | C68 | H71 | 72.4° | 66.3° |
| H66 | C65 | C68 | H70 | 71.0° | 66.3° |
| H66 | C65 | C68 | H69 | 169.0° | 53.7° |
| H66 | C65 | C68 | H71 | 49.0° | 173.7° |
| H70 | C68 | H69 | H71 | 120.0° | 120.0° |
| C61 | C58 | H59 | H60 | 118.7° | 119.9° |
| C58 | C61 | H64 | H62 | 120.0° | 120.0° |
| C58 | C61 | H64 | H63 | 120.0° | 120.0° |
| C58 | C61 | H62 | H63 | 120.0° | 119.9° |
| H59 | C58 | C61 | H64 | 178.1° | 60.0° |
| H59 | C58 | C61 | H62 | 58.2° | 180.0° |
| H59 | C58 | C61 | H63 | 61.8° | 60.0° |
| H60 | C58 | C61 | H64 | 59.9° | 59.9° |
| H60 | C58 | C61 | H62 | 179.8° | 60.1° |
| H60 | C58 | C61 | H63 | 60.2° | 180.0° |
| H64 | C61 | H62 | H63 | 120.0° | 120.1° |
