YAI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.35Å | |
| C1 | O20 | doub | 1.21Å | 1.20Å | |
| C1 | C21 | sing | 1.51Å | 1.54Å | |
| N2 | C3 | sing | 1.47Å | 1.44Å | |
| N2 | C7 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.40Å | |
| C4 | N5 | sing | 1.47Å | 1.51Å | |
| N5 | C6 | sing | 1.47Å | 1.50Å | |
| N5 | C8 | sing | 1.35Å | 1.40Å | |
| C6 | C7 | sing | 1.53Å | 1.48Å | |
| C8 | O9 | doub | 1.22Å | 1.23Å | |
| C8 | C10 | sing | 1.48Å | 1.45Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.44Å | Aromatic |
| C13 | S16 | sing | 1.76Å | 1.76Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| S16 | N17 | sing | 1.66Å | 1.67Å | |
| S16 | O18 | doub | 1.42Å | 1.49Å | |
| S16 | O19 | doub | 1.42Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C36 | sing | 1.51Å | 1.48Å | |
| C27 | C28 | doub | 1.38Å | 1.44Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | N30 | sing | 1.46Å | 1.44Å | |
| N30 | N31 | sing | 1.29Å | 1.35Å | Aromatic |
| N30 | N34 | sing | 1.29Å | 1.40Å | Aromatic |
| N31 | N32 | doub | 1.29Å | 1.34Å | Aromatic |
| N32 | C33 | sing | 1.33Å | 1.40Å | Aromatic |
| C33 | N34 | doub | 1.31Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.51Å | 1.49Å | |
| C36 | F37 | sing | 1.40Å | 1.34Å | |
| C36 | F38 | sing | 1.40Å | 1.34Å | |
| C36 | F39 | sing | 1.40Å | 1.34Å | |
| C11 | H48 | sing | 1.08Å | 1.08Å | |
| C15 | H51 | sing | 1.08Å | 1.08Å | |
| C21 | H55 | sing | 1.09Å | 1.10Å | |
| C21 | H54 | sing | 1.09Å | 1.10Å | |
| C22 | H56 | sing | 1.09Å | 1.10Å | |
| C22 | H57 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.08Å | 1.08Å | |
| C25 | H59 | sing | 1.08Å | 1.08Å | |
| C27 | H60 | sing | 1.08Å | 1.08Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C6 | H44 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H47 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C12 | H49 | sing | 1.08Å | 1.08Å | |
| C14 | H50 | sing | 1.08Å | 1.08Å | |
| N17 | H53 | sing | 0.97Å | 1.00Å | |
| N17 | H52 | sing | 0.97Å | 1.00Å | |
| C29 | H62 | sing | 1.09Å | 1.10Å | |
| C29 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O20 | 120.3° | 120.0° |
| N2 | C1 | C21 | 118.3° | 120.0° |
| C1 | N2 | C3 | 114.9° | 120.6° |
| C1 | N2 | C7 | 121.2° | 120.6° |
| O20 | C1 | C21 | 121.4° | 120.0° |
| C1 | C21 | C22 | 113.4° | 109.4° |
| C1 | C21 | H55 | 108.5° | 109.4° |
| C1 | C21 | H54 | 108.5° | 109.5° |
| C3 | N2 | C7 | 108.9° | 118.8° |
| N2 | C3 | C4 | 115.2° | 108.6° |
| N2 | C3 | H40 | 108.0° | 109.6° |
| N2 | C3 | H41 | 108.0° | 109.7° |
| N2 | C7 | C6 | 109.7° | 108.9° |
| N2 | C7 | H47 | 109.4° | 109.7° |
| N2 | C7 | H46 | 109.4° | 109.6° |
| C3 | C4 | N5 | 109.6° | 108.6° |
| C4 | C3 | H40 | 108.0° | 109.6° |
| C4 | C3 | H41 | 108.0° | 109.6° |
| C3 | C4 | H42 | 109.5° | 109.6° |
| C3 | C4 | H43 | 109.4° | 109.6° |
| C4 | N5 | C6 | 114.4° | 118.8° |
| C4 | N5 | C8 | 119.8° | 120.6° |
| N5 | C4 | H42 | 109.4° | 109.6° |
| N5 | C4 | H43 | 109.5° | 109.6° |
| C6 | N5 | C8 | 125.8° | 120.6° |
| N5 | C6 | C7 | 116.0° | 108.7° |
| N5 | C6 | H44 | 107.8° | 109.6° |
| N5 | C6 | H45 | 107.8° | 109.6° |
| N5 | C8 | O9 | 124.0° | 120.0° |
| N5 | C8 | C10 | 117.9° | 120.0° |
| C7 | C6 | H44 | 107.8° | 109.7° |
| C7 | C6 | H45 | 107.8° | 109.4° |
| C6 | C7 | H47 | 109.4° | 109.6° |
| C6 | C7 | H46 | 109.4° | 109.4° |
| O9 | C8 | C10 | 118.1° | 120.0° |
| C8 | C10 | C11 | 120.2° | 120.1° |
| C8 | C10 | C15 | 117.3° | 120.1° |
| C11 | C10 | C15 | 122.5° | 119.7° |
| C10 | C11 | C12 | 117.1° | 119.8° |
| C10 | C11 | H48 | 121.4° | 120.1° |
| C10 | C15 | C14 | 120.2° | 119.9° |
| C10 | C15 | H51 | 119.9° | 120.1° |
| C11 | C12 | C13 | 122.3° | 120.2° |
| C12 | C11 | H48 | 121.5° | 120.1° |
| C11 | C12 | H49 | 118.8° | 119.9° |
| C12 | C13 | C14 | 117.7° | 120.3° |
| C12 | C13 | S16 | 123.2° | 119.9° |
| C13 | C12 | H49 | 118.8° | 119.9° |
| C14 | C13 | S16 | 119.0° | 119.9° |
| C13 | C14 | C15 | 120.2° | 120.2° |
| C13 | C14 | H50 | 119.9° | 119.9° |
| C13 | S16 | N17 | 98.7° | 107.2° |
| C13 | S16 | O18 | 106.9° | 106.4° |
| C13 | S16 | O19 | 106.9° | 106.4° |
| C14 | C15 | H51 | 119.9° | 120.1° |
| C15 | C14 | H50 | 119.9° | 119.9° |
| N17 | S16 | O18 | 109.6° | 106.4° |
| N17 | S16 | O19 | 109.4° | 106.4° |
| S16 | N17 | H53 | 109.5° | 120.0° |
| S16 | N17 | H52 | 109.5° | 119.9° |
| O18 | S16 | O19 | 122.6° | 123.1° |
| C21 | C22 | C23 | 109.3° | 109.4° |
| C22 | C21 | H55 | 108.5° | 109.4° |
| C22 | C21 | H54 | 108.5° | 109.5° |
| C21 | C22 | H56 | 109.5° | 109.5° |
| C21 | C22 | H57 | 109.5° | 109.4° |
| C22 | C23 | C24 | 117.8° | 120.0° |
| C22 | C23 | C28 | 123.9° | 120.0° |
| C23 | C22 | H56 | 109.5° | 109.5° |
| C23 | C22 | H57 | 109.5° | 109.4° |
| C24 | C23 | C28 | 118.3° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C23 | C24 | H58 | 120.0° | 119.9° |
| C23 | C28 | C27 | 121.7° | 120.0° |
| C23 | C28 | C29 | 123.2° | 120.0° |
| C24 | C25 | C26 | 120.8° | 120.0° |
| C25 | C24 | H58 | 120.0° | 120.1° |
| C24 | C25 | H59 | 119.6° | 120.0° |
| C25 | C26 | C27 | 121.3° | 120.0° |
| C25 | C26 | C36 | 120.3° | 120.0° |
| C26 | C25 | H59 | 119.6° | 120.0° |
| C27 | C26 | C36 | 118.4° | 120.0° |
| C26 | C27 | C28 | 118.0° | 120.0° |
| C26 | C27 | H60 | 121.0° | 120.0° |
| C26 | C36 | F37 | 116.1° | 109.5° |
| C26 | C36 | F38 | 113.3° | 109.5° |
| C26 | C36 | F39 | 114.7° | 109.5° |
| C27 | C28 | C29 | 114.9° | 120.0° |
| C28 | C27 | H60 | 121.0° | 120.0° |
| C28 | C29 | N30 | 111.7° | 109.5° |
| C28 | C29 | H62 | 108.9° | 109.5° |
| C28 | C29 | H61 | 108.9° | 109.5° |
| C29 | N30 | N31 | 124.3° | 125.5° |
| C29 | N30 | N34 | 121.3° | 125.5° |
| N30 | C29 | H62 | 108.9° | 109.4° |
| N30 | C29 | H61 | 108.9° | 109.5° |
| N31 | N30 | N34 | 114.4° | 109.1° |
| N30 | N31 | N32 | 105.1° | 108.8° |
| N30 | N34 | C33 | 101.6° | 107.9° |
| N31 | N32 | C33 | 109.8° | 107.3° |
| N32 | C33 | N34 | 109.1° | 106.9° |
| N32 | C33 | C35 | 123.2° | 126.6° |
| N34 | C33 | C35 | 127.7° | 126.5° |
| C33 | C35 | H63 | 109.5° | 109.5° |
| C33 | C35 | H65 | 109.4° | 109.5° |
| C33 | C35 | H64 | 109.5° | 109.4° |
| F37 | C36 | F38 | 107.7° | 109.5° |
| F37 | C36 | F39 | 102.8° | 109.5° |
| F38 | C36 | F39 | 100.7° | 109.4° |
| H55 | C21 | H54 | 109.4° | 109.5° |
| H56 | C22 | H57 | 109.5° | 109.5° |
| H40 | C3 | H41 | 109.5° | 109.7° |
| H42 | C4 | H43 | 109.5° | 109.7° |
| H44 | C6 | H45 | 109.5° | 109.8° |
| H47 | C7 | H46 | 109.4° | 109.7° |
| H53 | N17 | H52 | 109.5° | 120.0° |
| H62 | C29 | H61 | 109.5° | 109.5° |
| H63 | C35 | H65 | 109.5° | 109.5° |
| H63 | C35 | H64 | 109.5° | 109.5° |
| H65 | C35 | H64 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O20 | C21 | 177.4° | 180.0° |
| C1 | N2 | C3 | C7 | 139.7° | 179.7° |
| C1 | N2 | C3 | C4 | 153.1° | 124.8° |
| C1 | N2 | C7 | C6 | 165.9° | 124.8° |
| N2 | C1 | C21 | C22 | 165.5° | 180.0° |
| N2 | C1 | C21 | H55 | 44.9° | 60.0° |
| N2 | C1 | C21 | H54 | 73.9° | 60.0° |
| C1 | N2 | C3 | H40 | 86.0° | 115.5° |
| C1 | N2 | C3 | H41 | 32.3° | 5.0° |
| C1 | N2 | C7 | H47 | 45.9° | 5.0° |
| C1 | N2 | C7 | H46 | 74.0° | 115.5° |
| O20 | C1 | N2 | C3 | 136.4° | 0.0° |
| O20 | C1 | N2 | C7 | 2.0° | 179.7° |
| O20 | C1 | C21 | C22 | 17.1° | 0.1° |
| O20 | C1 | C21 | H55 | 137.6° | 120.0° |
| O20 | C1 | C21 | H54 | 103.6° | 120.0° |
| C21 | C1 | N2 | C3 | 41.1° | 180.0° |
| C21 | C1 | N2 | C7 | 175.4° | 0.3° |
| C1 | C21 | C22 | H55 | 120.6° | 119.9° |
| C1 | C21 | C22 | H54 | 120.6° | 120.0° |
| C1 | C21 | C22 | C23 | 178.0° | 180.0° |
| C1 | C21 | H55 | H54 | 118.2° | 120.0° |
| C1 | C21 | C22 | H56 | 58.0° | 60.0° |
| C1 | C21 | C22 | H57 | 62.1° | 60.1° |
| N2 | C3 | C4 | H40 | 120.8° | 119.7° |
| N2 | C3 | C4 | H41 | 120.8° | 119.8° |
| N2 | C3 | C4 | N5 | 56.4° | 49.4° |
| C3 | N2 | C7 | C6 | 57.3° | 54.9° |
| N2 | C3 | H40 | H41 | 117.4° | 120.5° |
| N2 | C3 | C4 | H42 | 176.4° | 169.2° |
| N2 | C3 | C4 | H43 | 63.6° | 70.3° |
| C3 | N2 | C7 | H47 | 177.4° | 174.7° |
| C3 | N2 | C7 | H46 | 62.7° | 64.8° |
| C7 | N2 | C3 | C4 | 67.2° | 54.9° |
| N2 | C7 | C6 | N5 | 45.8° | 49.1° |
| N2 | C7 | C6 | H47 | 120.0° | 119.9° |
| N2 | C7 | C6 | H46 | 120.0° | 119.8° |
| C7 | N2 | C3 | H40 | 53.7° | 64.8° |
| C7 | N2 | C3 | H41 | 172.0° | 174.7° |
| N2 | C7 | C6 | H44 | 166.8° | 169.0° |
| N2 | C7 | C6 | H45 | 75.2° | 70.5° |
| N2 | C7 | H47 | H46 | 119.9° | 120.4° |
| C3 | C4 | N5 | H42 | 120.0° | 119.8° |
| C3 | C4 | N5 | H43 | 120.0° | 119.7° |
| C3 | C4 | N5 | C6 | 40.3° | 55.2° |
| C3 | C4 | N5 | C8 | 140.0° | 124.7° |
| C4 | C3 | H40 | H41 | 117.4° | 120.4° |
| C3 | C4 | H42 | H43 | 120.0° | 120.4° |
| C4 | N5 | C6 | C8 | 179.7° | 179.9° |
| C4 | N5 | C6 | C7 | 37.6° | 55.1° |
| C4 | N5 | C8 | O9 | 9.6° | 4.1° |
| C4 | N5 | C8 | C10 | 173.4° | 175.9° |
| N5 | C4 | C3 | H40 | 64.4° | 70.3° |
| N5 | C4 | C3 | H41 | 177.2° | 169.2° |
| N5 | C4 | H42 | H43 | 120.0° | 120.4° |
| C4 | N5 | C6 | H44 | 158.5° | 175.0° |
| C4 | N5 | C6 | H45 | 83.4° | 64.5° |
| N5 | C6 | C7 | H44 | 121.0° | 119.9° |
| N5 | C6 | C7 | H45 | 121.0° | 119.7° |
| C6 | N5 | C8 | O9 | 170.7° | 176.0° |
| C6 | N5 | C8 | C10 | 6.3° | 4.0° |
| C6 | N5 | C4 | H42 | 160.3° | 175.0° |
| C6 | N5 | C4 | H43 | 79.8° | 64.5° |
| N5 | C6 | H44 | H45 | 117.0° | 120.4° |
| N5 | C6 | C7 | H47 | 165.8° | 169.0° |
| N5 | C6 | C7 | H46 | 74.2° | 70.6° |
| C8 | N5 | C6 | C7 | 142.7° | 124.9° |
| N5 | C8 | O9 | C10 | 177.0° | 180.0° |
| N5 | C8 | C10 | C11 | 132.2° | 128.6° |
| N5 | C8 | C10 | C15 | 50.3° | 51.8° |
| C8 | N5 | C4 | H42 | 20.0° | 5.0° |
| C8 | N5 | C4 | H43 | 100.0° | 115.5° |
| C8 | N5 | C6 | H44 | 21.7° | 5.0° |
| C8 | N5 | C6 | H45 | 96.3° | 115.6° |
| C7 | C6 | H44 | H45 | 117.0° | 120.3° |
| C6 | C7 | H47 | H46 | 119.9° | 120.2° |
| O9 | C8 | C10 | C11 | 44.9° | 51.5° |
| O9 | C8 | C10 | C15 | 132.5° | 128.2° |
| C8 | C10 | C11 | C15 | 177.3° | 179.7° |
| C8 | C10 | C11 | C12 | 176.7° | 179.7° |
| C8 | C10 | C15 | C14 | 178.5° | 179.7° |
| C8 | C10 | C11 | H48 | 3.3° | 0.4° |
| C8 | C10 | C15 | H51 | 1.6° | 0.3° |
| C10 | C11 | C12 | H48 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C10 | C15 | C14 | 1.1° | 0.1° |
| C11 | C10 | C15 | H51 | 178.9° | 179.9° |
| C10 | C11 | C12 | H49 | 179.2° | 179.9° |
| C15 | C10 | C11 | C12 | 0.6° | 0.1° |
| C10 | C15 | C14 | C13 | 2.6° | 0.0° |
| C10 | C15 | C14 | H51 | 180.0° | 180.0° |
| C15 | C10 | C11 | H48 | 179.4° | 179.9° |
| C10 | C15 | C14 | H50 | 177.4° | 180.0° |
| C11 | C12 | C13 | H49 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C11 | C12 | C13 | S16 | 175.3° | 180.0° |
| C12 | C13 | C14 | S16 | 176.2° | 180.0° |
| C12 | C13 | C14 | C15 | 2.4° | 0.0° |
| C12 | C13 | S16 | N17 | 76.8° | 90.0° |
| C12 | C13 | S16 | O18 | 36.8° | 23.5° |
| C12 | C13 | S16 | O19 | 169.8° | 156.5° |
| C13 | C12 | C11 | H48 | 179.2° | 179.9° |
| C12 | C13 | C14 | H50 | 177.6° | 179.9° |
| C13 | C14 | C15 | H50 | 180.0° | 180.0° |
| C14 | C13 | S16 | N17 | 107.2° | 90.0° |
| C14 | C13 | S16 | O18 | 139.2° | 156.4° |
| C14 | C13 | S16 | O19 | 6.2° | 23.5° |
| C13 | C14 | C15 | H51 | 177.4° | 180.0° |
| C14 | C13 | C12 | H49 | 179.3° | 180.0° |
| S16 | C13 | C14 | C15 | 173.8° | 180.0° |
| C13 | S16 | N17 | O18 | 111.5° | 113.5° |
| C13 | S16 | N17 | O19 | 111.4° | 113.5° |
| C13 | S16 | O18 | O19 | 123.7° | 122.9° |
| S16 | C13 | C12 | H49 | 4.7° | 0.1° |
| S16 | C13 | C14 | H50 | 6.2° | 0.0° |
| C13 | S16 | N17 | H53 | 180.0° | 0.0° |
| C13 | S16 | N17 | H52 | 60.0° | 180.0° |
| N17 | S16 | O18 | O19 | 130.3° | 123.0° |
| S16 | N17 | H53 | H52 | 120.0° | 179.9° |
| O18 | S16 | N17 | H53 | 68.5° | 113.5° |
| O18 | S16 | N17 | H52 | 171.5° | 66.4° |
| O19 | S16 | N17 | H53 | 68.6° | 113.6° |
| O19 | S16 | N17 | H52 | 51.4° | 66.5° |
| C21 | C22 | C23 | H56 | 120.0° | 120.0° |
| C21 | C22 | C23 | H57 | 120.0° | 119.9° |
| C21 | C22 | C23 | C24 | 97.0° | 95.0° |
| C21 | C22 | C23 | C28 | 86.1° | 84.8° |
| C22 | C21 | H55 | H54 | 118.3° | 120.0° |
| C21 | C22 | H56 | H57 | 120.1° | 120.0° |
| C22 | C23 | C24 | C28 | 177.0° | 179.8° |
| C22 | C23 | C24 | C25 | 176.9° | 180.0° |
| C22 | C23 | C28 | C27 | 176.6° | 179.8° |
| C22 | C23 | C28 | C29 | 2.7° | 0.0° |
| C23 | C22 | C21 | H55 | 61.5° | 60.1° |
| C23 | C22 | C21 | H54 | 57.4° | 60.0° |
| C23 | C22 | H56 | H57 | 120.1° | 120.0° |
| C22 | C23 | C24 | H58 | 3.0° | 0.0° |
| C23 | C24 | C25 | H58 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.7° | 0.0° |
| C24 | C23 | C28 | C27 | 0.2° | 0.5° |
| C24 | C23 | C28 | C29 | 174.1° | 179.8° |
| C24 | C23 | C22 | H56 | 23.0° | 145.0° |
| C24 | C23 | C22 | H57 | 143.0° | 24.9° |
| C23 | C24 | C25 | H59 | 179.3° | 180.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.2° |
| C23 | C28 | C27 | C26 | 0.4° | 0.5° |
| C23 | C28 | C27 | C29 | 174.4° | 179.8° |
| C23 | C28 | C29 | N30 | 114.8° | 85.0° |
| C28 | C23 | C22 | H56 | 153.9° | 35.3° |
| C28 | C23 | C22 | H57 | 33.8° | 155.3° |
| C28 | C23 | C24 | H58 | 180.0° | 179.7° |
| C23 | C28 | C27 | H60 | 179.6° | 179.7° |
| C23 | C28 | C29 | H62 | 124.9° | 155.1° |
| C23 | C28 | C29 | H61 | 5.6° | 35.0° |
| C24 | C25 | C26 | H59 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.3° | 0.0° |
| C24 | C25 | C26 | C36 | 176.8° | 179.9° |
| C25 | C26 | C27 | C36 | 178.1° | 180.0° |
| C25 | C26 | C27 | C28 | 1.1° | 0.2° |
| C25 | C26 | C36 | F37 | 168.6° | 0.0° |
| C25 | C26 | C36 | F38 | 43.2° | 120.0° |
| C25 | C26 | C36 | F39 | 71.7° | 120.0° |
| C26 | C25 | C24 | H58 | 179.3° | 180.0° |
| C25 | C26 | C27 | H60 | 178.9° | 180.0° |
| C26 | C27 | C28 | H60 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 174.0° | 179.8° |
| C27 | C26 | C36 | F37 | 13.2° | 180.0° |
| C27 | C26 | C36 | F38 | 138.6° | 60.0° |
| C27 | C26 | C36 | F39 | 106.5° | 60.0° |
| C27 | C26 | C25 | H59 | 178.7° | 180.0° |
| C36 | C26 | C27 | C28 | 177.0° | 179.8° |
| C26 | C36 | F37 | F38 | 128.2° | 120.0° |
| C26 | C36 | F37 | F39 | 126.0° | 120.1° |
| C26 | C36 | F38 | F39 | 123.0° | 120.0° |
| C36 | C26 | C25 | H59 | 3.2° | 0.0° |
| C36 | C26 | C27 | H60 | 3.0° | 0.0° |
| C27 | C28 | C29 | N30 | 70.9° | 94.8° |
| C27 | C28 | C29 | H62 | 49.4° | 25.2° |
| C27 | C28 | C29 | H61 | 168.7° | 145.2° |
| C28 | C29 | N30 | H62 | 120.3° | 120.0° |
| C28 | C29 | N30 | H61 | 120.4° | 120.0° |
| C28 | C29 | N30 | N31 | 103.2° | 90.0° |
| C28 | C29 | N30 | N34 | 78.7° | 90.3° |
| C29 | C28 | C27 | H60 | 6.0° | 0.0° |
| C28 | C29 | H62 | H61 | 119.0° | 120.1° |
| C29 | N30 | N31 | N34 | 178.2° | 179.7° |
| C29 | N30 | N31 | N32 | 177.6° | 179.9° |
| C29 | N30 | N34 | C33 | 177.0° | 179.9° |
| N30 | C29 | H62 | H61 | 119.0° | 120.0° |
| N30 | N31 | N32 | C33 | 0.3° | 0.0° |
| N31 | N30 | N34 | C33 | 1.2° | 0.4° |
| N31 | N30 | C29 | H62 | 17.1° | 30.0° |
| N31 | N30 | C29 | H61 | 136.4° | 150.0° |
| N34 | N30 | N31 | N32 | 0.6° | 0.2° |
| N30 | N34 | C33 | N32 | 1.3° | 0.4° |
| N30 | N34 | C33 | C35 | 175.1° | 179.8° |
| N34 | N30 | C29 | H62 | 161.0° | 149.7° |
| N34 | N30 | C29 | H61 | 41.7° | 29.7° |
| N31 | N32 | C33 | N34 | 1.1° | 0.2° |
| N31 | N32 | C33 | C35 | 175.5° | 180.0° |
| N32 | C33 | N34 | C35 | 176.4° | 179.8° |
| N32 | C33 | C35 | H63 | 0.0° | 90.0° |
| N32 | C33 | C35 | H65 | 120.0° | 149.9° |
| N32 | C33 | C35 | H64 | 120.0° | 30.0° |
| N34 | C33 | C35 | H63 | 175.9° | 89.7° |
| N34 | C33 | C35 | H65 | 55.9° | 30.3° |
| N34 | C33 | C35 | H64 | 64.1° | 150.3° |
| C33 | C35 | H63 | H65 | 120.0° | 120.0° |
| C33 | C35 | H63 | H64 | 120.0° | 120.0° |
| C33 | C35 | H65 | H64 | 120.0° | 119.9° |
| F37 | C36 | F38 | F39 | 107.2° | 120.0° |
| H48 | C11 | C12 | H49 | 0.8° | 0.0° |
| H51 | C15 | C14 | H50 | 2.6° | 0.0° |
| H55 | C21 | C22 | H56 | 178.5° | 60.0° |
| H55 | C21 | C22 | H57 | 58.5° | 180.0° |
| H54 | C21 | C22 | H56 | 62.6° | 180.0° |
| H54 | C21 | C22 | H57 | 177.3° | 60.0° |
| H58 | C24 | C25 | H59 | 0.7° | 0.0° |
| H40 | C3 | C4 | H42 | 55.6° | 49.4° |
| H40 | C3 | C4 | H43 | 175.5° | 170.0° |
| H41 | C3 | C4 | H42 | 62.8° | 71.0° |
| H41 | C3 | C4 | H43 | 57.2° | 49.5° |
| H44 | C6 | C7 | H47 | 73.2° | 71.1° |
| H44 | C6 | C7 | H46 | 46.8° | 49.2° |
| H45 | C6 | C7 | H47 | 44.9° | 49.4° |
| H45 | C6 | C7 | H46 | 164.8° | 169.7° |
| H63 | C35 | H65 | H64 | 120.0° | 120.0° |
