A1IV3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | N19 | sing | 1.46Å | 1.47Å | |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | N12 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| N12 | C11 | sing | 1.47Å | 1.46Å | |
| O21 | S20 | doub | 1.42Å | 1.43Å | |
| N19 | S20 | sing | 1.66Å | 1.61Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | S20 | sing | 1.76Å | 1.76Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| S20 | O22 | doub | 1.42Å | 1.43Å | |
| C30 | N9 | sing | 1.47Å | 1.46Å | |
| C10 | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C8 | sing | 1.40Å | 1.42Å | |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C8 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.08Å | 1.08Å | |
| C6 | H38 | sing | 1.08Å | 1.08Å | |
| C7 | H39 | sing | 1.08Å | 1.08Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H44 | sing | 1.09Å | 1.10Å | |
| C14 | H45 | sing | 1.09Å | 1.10Å | |
| C15 | H47 | sing | 1.09Å | 1.10Å | |
| C15 | H46 | sing | 1.09Å | 1.10Å | |
| C16 | H48 | sing | 1.09Å | 1.10Å | |
| C16 | H49 | sing | 1.09Å | 1.10Å | |
| C24 | H53 | sing | 1.08Å | 1.08Å | |
| C25 | H54 | sing | 1.08Å | 1.08Å | |
| C26 | H55 | sing | 1.08Å | 1.08Å | |
| C27 | H56 | sing | 1.08Å | 1.08Å | |
| C28 | H57 | sing | 1.08Å | 1.08Å | |
| C17 | H50 | sing | 1.09Å | 1.10Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H58 | sing | 1.09Å | 1.10Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.08Å | 1.08Å | |
| N19 | H52 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 110.4° | 109.5° |
| C15 | C16 | C17 | 110.2° | 109.5° |
| C16 | C15 | H47 | 109.2° | 109.5° |
| C16 | C15 | H46 | 109.2° | 109.4° |
| C15 | C16 | H48 | 109.3° | 109.5° |
| C15 | C16 | H49 | 109.3° | 109.5° |
| C15 | C14 | C13 | 111.4° | 109.5° |
| C15 | C14 | H44 | 109.0° | 109.5° |
| C15 | C14 | H45 | 109.0° | 109.4° |
| C14 | C15 | H47 | 109.2° | 109.5° |
| C14 | C15 | H46 | 109.2° | 109.5° |
| C16 | C17 | C18 | 110.9° | 109.5° |
| C17 | C16 | H48 | 109.3° | 109.4° |
| C17 | C16 | H49 | 109.3° | 109.5° |
| C16 | C17 | H50 | 109.1° | 109.4° |
| C16 | C17 | H51 | 109.1° | 109.5° |
| C14 | C13 | C18 | 110.0° | 109.5° |
| C14 | C13 | N12 | 116.1° | 109.5° |
| C14 | C13 | H31 | 106.2° | 109.5° |
| C13 | C14 | H44 | 109.0° | 109.5° |
| C13 | C14 | H45 | 109.0° | 109.5° |
| C17 | C18 | C13 | 111.0° | 109.5° |
| C17 | C18 | N19 | 111.9° | 109.5° |
| C18 | C17 | H50 | 109.1° | 109.5° |
| C18 | C17 | H51 | 109.1° | 109.5° |
| C17 | C18 | H32 | 107.9° | 109.5° |
| C13 | C18 | N19 | 109.5° | 109.5° |
| C18 | C13 | N12 | 110.8° | 109.5° |
| C18 | C13 | H31 | 106.2° | 109.4° |
| C13 | C18 | H32 | 107.8° | 109.4° |
| C18 | N19 | S20 | 123.6° | 120.0° |
| N19 | C18 | H32 | 108.6° | 109.5° |
| C18 | N19 | H52 | 105.8° | 120.0° |
| C13 | N12 | C29 | 114.1° | 111.0° |
| C13 | N12 | C11 | 114.2° | 111.0° |
| N12 | C13 | H31 | 106.9° | 109.5° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C27 | C28 | C23 | 119.8° | 120.0° |
| C28 | C27 | H56 | 120.1° | 120.0° |
| C27 | C28 | H57 | 120.1° | 120.0° |
| C27 | C26 | C25 | 120.3° | 120.0° |
| C27 | C26 | H55 | 119.9° | 120.0° |
| C26 | C27 | H56 | 120.0° | 120.0° |
| C28 | C23 | S20 | 119.9° | 120.0° |
| C28 | C23 | C24 | 120.3° | 120.0° |
| C23 | C28 | H57 | 120.1° | 120.0° |
| N12 | C29 | C30 | 109.9° | 109.4° |
| C29 | N12 | C11 | 109.1° | 110.9° |
| N12 | C29 | H58 | 109.3° | 109.5° |
| N12 | C29 | H59 | 109.3° | 109.5° |
| C29 | C30 | N9 | 110.6° | 109.3° |
| C30 | C29 | H58 | 109.4° | 109.5° |
| C30 | C29 | H59 | 109.4° | 109.5° |
| C29 | C30 | H60 | 109.2° | 109.5° |
| C29 | C30 | H61 | 109.2° | 109.5° |
| N12 | C11 | C10 | 110.6° | 109.3° |
| N12 | C11 | H43 | 109.2° | 109.5° |
| N12 | C11 | H42 | 109.2° | 109.5° |
| O21 | S20 | N19 | 106.4° | 106.4° |
| O21 | S20 | C23 | 107.6° | 106.4° |
| O21 | S20 | O22 | 119.7° | 123.2° |
| N19 | S20 | C23 | 109.5° | 107.2° |
| N19 | S20 | O22 | 106.2° | 106.4° |
| S20 | N19 | H52 | 105.8° | 120.0° |
| C11 | C10 | N9 | 110.9° | 109.4° |
| C11 | C10 | H40 | 109.2° | 109.5° |
| C11 | C10 | H41 | 109.1° | 109.5° |
| C10 | C11 | H43 | 109.2° | 109.5° |
| C10 | C11 | H42 | 109.2° | 109.5° |
| C26 | C25 | C24 | 119.8° | 120.0° |
| C26 | C25 | H54 | 120.1° | 120.0° |
| C25 | C26 | H55 | 119.8° | 120.0° |
| S20 | C23 | C24 | 119.8° | 120.0° |
| C23 | S20 | O22 | 107.2° | 106.4° |
| C23 | C24 | C25 | 119.9° | 120.0° |
| C23 | C24 | H53 | 120.1° | 120.0° |
| C30 | N9 | C10 | 110.9° | 110.9° |
| C30 | N9 | C8 | 117.5° | 111.0° |
| N9 | C30 | H60 | 109.2° | 109.5° |
| N9 | C30 | H61 | 109.2° | 109.5° |
| C10 | N9 | C8 | 117.6° | 111.0° |
| N9 | C10 | H40 | 109.1° | 109.5° |
| N9 | C10 | H41 | 109.1° | 109.5° |
| N9 | C8 | C3 | 119.1° | 120.1° |
| N9 | C8 | C7 | 122.3° | 120.1° |
| C25 | C24 | H53 | 120.0° | 120.0° |
| C24 | C25 | H54 | 120.1° | 120.0° |
| C1 | O2 | C3 | 119.5° | 117.0° |
| O2 | C1 | H33 | 109.5° | 109.6° |
| O2 | C1 | H35 | 109.5° | 109.5° |
| O2 | C1 | H34 | 109.5° | 109.5° |
| O2 | C3 | C8 | 114.9° | 120.1° |
| O2 | C3 | C4 | 125.3° | 120.1° |
| C3 | C8 | C7 | 118.6° | 119.8° |
| C8 | C3 | C4 | 119.9° | 119.9° |
| C8 | C7 | C6 | 120.8° | 120.0° |
| C8 | C7 | H39 | 119.6° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C3 | C4 | H36 | 119.8° | 120.0° |
| C7 | C6 | C5 | 120.2° | 120.2° |
| C7 | C6 | H38 | 119.9° | 119.9° |
| C6 | C7 | H39 | 119.6° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C4 | C5 | H37 | 119.9° | 119.9° |
| C5 | C4 | H36 | 119.8° | 120.0° |
| C6 | C5 | H37 | 119.9° | 119.9° |
| C5 | C6 | H38 | 119.9° | 119.9° |
| H33 | C1 | H35 | 109.4° | 109.5° |
| H33 | C1 | H34 | 109.4° | 109.4° |
| H35 | C1 | H34 | 109.5° | 109.5° |
| H40 | C10 | H41 | 109.5° | 109.5° |
| H43 | C11 | H42 | 109.5° | 109.5° |
| H44 | C14 | H45 | 109.5° | 109.5° |
| H47 | C15 | H46 | 109.5° | 109.5° |
| H48 | C16 | H49 | 109.5° | 109.5° |
| H50 | C17 | H51 | 109.5° | 109.5° |
| H58 | C29 | H59 | 109.5° | 109.5° |
| H60 | C30 | H61 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H47 | 120.1° | 120.0° |
| C16 | C15 | C14 | H46 | 120.2° | 120.0° |
| C15 | C16 | C17 | H48 | 120.1° | 120.0° |
| C15 | C16 | C17 | H49 | 120.1° | 120.0° |
| C16 | C15 | C14 | C13 | 57.8° | 60.0° |
| C15 | C16 | C17 | C18 | 57.8° | 60.0° |
| C16 | C15 | C14 | H44 | 178.1° | 60.0° |
| C16 | C15 | C14 | H45 | 62.5° | 180.0° |
| C16 | C15 | H47 | H46 | 119.6° | 120.0° |
| C15 | C16 | H48 | H49 | 119.7° | 120.0° |
| C15 | C16 | C17 | H50 | 178.1° | 180.0° |
| C15 | C16 | C17 | H51 | 62.3° | 60.0° |
| C14 | C15 | C16 | C17 | 58.1° | 60.0° |
| C15 | C14 | C13 | H44 | 120.3° | 120.0° |
| C15 | C14 | C13 | H45 | 120.3° | 120.0° |
| C15 | C14 | C13 | C18 | 56.0° | 60.0° |
| C15 | C14 | C13 | N12 | 177.2° | 180.0° |
| C15 | C14 | C13 | H31 | 58.5° | 60.0° |
| C15 | C14 | H44 | H45 | 119.1° | 120.0° |
| C14 | C15 | H47 | H46 | 119.6° | 120.0° |
| C14 | C15 | C16 | H48 | 62.0° | 60.0° |
| C14 | C15 | C16 | H49 | 178.2° | 180.0° |
| C16 | C17 | C18 | H50 | 120.2° | 120.0° |
| C16 | C17 | C18 | H51 | 120.2° | 120.0° |
| C16 | C17 | C18 | C13 | 56.8° | 60.0° |
| C16 | C17 | C18 | N19 | 179.5° | 180.0° |
| C17 | C16 | C15 | H47 | 62.1° | 180.0° |
| C17 | C16 | C15 | H46 | 178.2° | 60.0° |
| C17 | C16 | H48 | H49 | 119.7° | 120.0° |
| C16 | C17 | H50 | H51 | 119.3° | 120.0° |
| C16 | C17 | C18 | H32 | 61.1° | 60.0° |
| C14 | C13 | C18 | C17 | 55.3° | 60.0° |
| C14 | C13 | C18 | N12 | 129.7° | 120.0° |
| C14 | C13 | C18 | H31 | 114.5° | 120.0° |
| C14 | C13 | C18 | N19 | 179.3° | 180.0° |
| C14 | C13 | N12 | H31 | 118.3° | 120.0° |
| C14 | C13 | N12 | C29 | 54.1° | 51.6° |
| C14 | C13 | N12 | C11 | 72.3° | 72.2° |
| C13 | C14 | H44 | H45 | 119.1° | 120.0° |
| C13 | C14 | C15 | H47 | 62.4° | 180.0° |
| C13 | C14 | C15 | H46 | 177.9° | 60.0° |
| C14 | C13 | C18 | H32 | 62.7° | 60.0° |
| C17 | C18 | C13 | N19 | 124.0° | 120.0° |
| C17 | C18 | C13 | H32 | 118.0° | 120.0° |
| C17 | C18 | N19 | H32 | 119.0° | 120.0° |
| C17 | C18 | C13 | N12 | 175.0° | 180.0° |
| C17 | C18 | N19 | S20 | 90.3° | 95.0° |
| C17 | C18 | C13 | H31 | 59.2° | 60.0° |
| C18 | C17 | C16 | H48 | 62.3° | 60.0° |
| C18 | C17 | C16 | H49 | 178.0° | 180.0° |
| C18 | C17 | H50 | H51 | 119.4° | 120.0° |
| C17 | C18 | N19 | H52 | 31.6° | 84.9° |
| C13 | C18 | N19 | H32 | 117.5° | 120.0° |
| C18 | C13 | N12 | H31 | 115.3° | 120.0° |
| C18 | C13 | N12 | C29 | 72.3° | 68.4° |
| C18 | C13 | N12 | C11 | 161.3° | 167.8° |
| C13 | C18 | N19 | S20 | 146.2° | 145.0° |
| C18 | C13 | C14 | H44 | 176.3° | 60.0° |
| C18 | C13 | C14 | H45 | 64.3° | 180.0° |
| C13 | C18 | C17 | H50 | 177.0° | 180.0° |
| C13 | C18 | C17 | H51 | 63.4° | 60.0° |
| C13 | C18 | N19 | H52 | 91.9° | 35.1° |
| N19 | C18 | C13 | N12 | 51.0° | 59.9° |
| C18 | N19 | S20 | O21 | 70.8° | 48.6° |
| C18 | N19 | S20 | H52 | 121.9° | 179.9° |
| C18 | N19 | S20 | C23 | 45.2° | 65.0° |
| C18 | N19 | S20 | O22 | 160.6° | 178.5° |
| N19 | C18 | C13 | H31 | 64.8° | 60.0° |
| N19 | C18 | C17 | H50 | 60.3° | 60.0° |
| N19 | C18 | C17 | H51 | 59.3° | 60.0° |
| C13 | N12 | C29 | C11 | 129.1° | 123.9° |
| C13 | N12 | C29 | C30 | 170.4° | 176.8° |
| C13 | N12 | C11 | C10 | 171.6° | 176.8° |
| C13 | N12 | C11 | H43 | 51.4° | 63.2° |
| C13 | N12 | C11 | H42 | 68.3° | 56.9° |
| N12 | C13 | C14 | H44 | 56.9° | 60.0° |
| N12 | C13 | C14 | H45 | 62.5° | 60.0° |
| N12 | C13 | C18 | H32 | 67.0° | 60.0° |
| C13 | N12 | C29 | H58 | 69.5° | 56.8° |
| C13 | N12 | C29 | H59 | 50.3° | 63.2° |
| C28 | C27 | C26 | H56 | 180.0° | 179.4° |
| C27 | C28 | C23 | H57 | 180.0° | 179.4° |
| C28 | C27 | C26 | C25 | 0.1° | 0.3° |
| C27 | C28 | C23 | S20 | 180.0° | 179.6° |
| C27 | C28 | C23 | C24 | 0.1° | 0.6° |
| C28 | C27 | C26 | H55 | 180.0° | 179.7° |
| C26 | C27 | C28 | C23 | 0.1° | 0.6° |
| C27 | C26 | C25 | H55 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | H54 | 179.9° | 180.0° |
| C26 | C27 | C28 | H57 | 179.9° | 180.0° |
| C28 | C23 | S20 | O21 | 26.7° | 23.3° |
| C28 | C23 | S20 | N19 | 88.6° | 90.3° |
| C28 | C23 | S20 | C24 | 179.9° | 179.7° |
| C28 | C23 | S20 | O22 | 156.6° | 156.2° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C28 | C23 | C24 | H53 | 179.9° | 179.7° |
| C23 | C28 | C27 | H56 | 179.9° | 180.0° |
| N12 | C29 | C30 | H58 | 120.0° | 120.0° |
| N12 | C29 | C30 | H59 | 120.0° | 120.0° |
| C29 | N12 | C11 | C10 | 59.4° | 59.3° |
| N12 | C29 | C30 | N9 | 59.2° | 58.4° |
| C29 | N12 | C11 | H43 | 179.6° | 60.6° |
| C29 | N12 | C11 | H42 | 60.7° | 179.2° |
| C29 | N12 | C13 | H31 | 172.5° | 171.6° |
| N12 | C29 | H58 | H59 | 119.8° | 120.0° |
| N12 | C29 | C30 | H60 | 179.4° | 178.3° |
| N12 | C29 | C30 | H61 | 61.0° | 61.6° |
| C30 | C29 | N12 | C11 | 60.5° | 59.3° |
| C29 | C30 | N9 | H60 | 120.2° | 120.0° |
| C29 | C30 | N9 | H61 | 120.2° | 119.9° |
| C29 | C30 | N9 | C10 | 56.1° | 59.3° |
| C29 | C30 | N9 | C8 | 164.6° | 176.8° |
| C30 | C29 | H58 | H59 | 119.9° | 120.0° |
| C29 | C30 | H60 | H61 | 119.5° | 120.1° |
| N12 | C11 | C10 | H43 | 120.2° | 119.9° |
| N12 | C11 | C10 | H42 | 120.1° | 120.0° |
| N12 | C11 | C10 | N9 | 56.8° | 58.4° |
| N12 | C11 | C10 | H40 | 63.4° | 61.6° |
| N12 | C11 | C10 | H41 | 177.0° | 178.4° |
| N12 | C11 | H43 | H42 | 119.5° | 120.1° |
| C11 | N12 | C13 | H31 | 46.0° | 47.8° |
| C11 | N12 | C29 | H58 | 59.6° | 179.3° |
| C11 | N12 | C29 | H59 | 179.4° | 60.7° |
| O21 | S20 | N19 | C23 | 116.0° | 113.6° |
| O21 | S20 | N19 | O22 | 128.6° | 132.9° |
| O21 | S20 | C23 | O22 | 130.0° | 132.9° |
| O21 | S20 | C23 | C24 | 153.2° | 156.5° |
| O21 | S20 | N19 | H52 | 51.1° | 131.5° |
| N19 | S20 | C23 | O22 | 114.8° | 113.5° |
| N19 | S20 | C23 | C24 | 91.5° | 90.0° |
| S20 | N19 | C18 | H32 | 28.7° | 25.0° |
| C11 | C10 | N9 | C30 | 54.8° | 59.4° |
| C11 | C10 | N9 | H40 | 120.2° | 120.0° |
| C11 | C10 | N9 | H41 | 120.2° | 120.0° |
| C11 | C10 | N9 | C8 | 165.9° | 176.8° |
| C11 | C10 | H40 | H41 | 119.4° | 120.0° |
| C10 | C11 | H43 | H42 | 119.5° | 120.1° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H54 | 180.0° | 180.0° |
| C26 | C25 | C24 | H53 | 179.9° | 180.0° |
| C25 | C26 | C27 | H56 | 179.9° | 179.7° |
| S20 | C23 | C24 | C25 | 180.0° | 180.0° |
| S20 | C23 | C24 | H53 | 0.0° | 0.1° |
| S20 | C23 | C28 | H57 | 0.0° | 0.3° |
| C23 | S20 | N19 | H52 | 167.1° | 115.0° |
| C24 | C23 | S20 | O22 | 23.2° | 23.6° |
| C23 | C24 | C25 | H53 | 180.0° | 180.0° |
| C23 | C24 | C25 | H54 | 179.9° | 180.0° |
| C24 | C23 | C28 | H57 | 179.9° | 180.0° |
| O22 | S20 | N19 | H52 | 77.5° | 1.4° |
| C30 | N9 | C10 | C8 | 139.3° | 123.8° |
| C30 | N9 | C8 | C3 | 154.9° | 116.2° |
| C30 | N9 | C8 | C7 | 24.8° | 63.8° |
| C30 | N9 | C10 | H40 | 65.4° | 60.6° |
| C30 | N9 | C10 | H41 | 175.0° | 179.3° |
| N9 | C30 | C29 | H58 | 60.8° | 178.4° |
| N9 | C30 | C29 | H59 | 179.2° | 61.6° |
| N9 | C30 | H60 | H61 | 119.5° | 120.1° |
| C10 | N9 | C8 | C3 | 68.6° | 120.0° |
| C10 | N9 | C8 | C7 | 111.8° | 60.0° |
| N9 | C10 | H40 | H41 | 119.3° | 120.0° |
| N9 | C10 | C11 | H43 | 177.0° | 61.5° |
| N9 | C10 | C11 | H42 | 63.3° | 178.4° |
| C10 | N9 | C30 | H60 | 176.3° | 179.3° |
| C10 | N9 | C30 | H61 | 64.1° | 60.6° |
| N9 | C8 | C3 | O2 | 0.2° | 0.2° |
| N9 | C8 | C3 | C7 | 179.7° | 180.0° |
| N9 | C8 | C3 | C4 | 179.9° | 180.0° |
| N9 | C8 | C7 | C6 | 179.9° | 180.0° |
| N9 | C8 | C7 | H39 | 0.1° | 0.0° |
| C8 | N9 | C10 | H40 | 73.8° | 63.2° |
| C8 | N9 | C10 | H41 | 45.7° | 56.8° |
| C8 | N9 | C30 | H60 | 44.4° | 56.9° |
| C8 | N9 | C30 | H61 | 75.3° | 63.2° |
| C24 | C25 | C26 | H55 | 180.0° | 180.0° |
| C1 | O2 | C3 | C8 | 179.6° | 179.7° |
| C1 | O2 | C3 | C4 | 0.5° | 0.1° |
| O2 | C1 | H33 | H35 | 120.0° | 120.1° |
| O2 | C1 | H33 | H34 | 120.0° | 120.0° |
| O2 | C1 | H35 | H34 | 120.0° | 120.0° |
| O2 | C3 | C8 | C4 | 179.9° | 179.8° |
| O2 | C3 | C8 | C7 | 179.9° | 179.7° |
| O2 | C3 | C4 | C5 | 180.0° | 179.8° |
| C3 | O2 | C1 | H33 | 180.0° | 59.9° |
| C3 | O2 | C1 | H35 | 60.0° | 180.0° |
| C3 | O2 | C1 | H34 | 60.0° | 60.0° |
| O2 | C3 | C4 | H36 | 0.0° | 0.2° |
| C3 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C8 | C7 | H39 | 179.8° | 180.0° |
| C8 | C3 | C4 | H36 | 179.8° | 180.0° |
| C7 | C8 | C3 | C4 | 0.2° | 0.1° |
| C8 | C7 | C6 | H39 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | H38 | 179.9° | 180.0° |
| C3 | C4 | C5 | H36 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H37 | 179.9° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.1° |
| C7 | C6 | C5 | H38 | 180.0° | 180.0° |
| C7 | C6 | C5 | H37 | 179.9° | 180.0° |
| C4 | C5 | C6 | H37 | 180.0° | 180.0° |
| C4 | C5 | C6 | H38 | 180.0° | 180.0° |
| C5 | C6 | C7 | H39 | 179.9° | 180.0° |
| C6 | C5 | C4 | H36 | 179.9° | 180.0° |
| H33 | C1 | H35 | H34 | 119.9° | 119.9° |
| H37 | C5 | C6 | H38 | 0.0° | 0.0° |
| H37 | C5 | C4 | H36 | 0.1° | 0.0° |
| H38 | C6 | C7 | H39 | 0.1° | 0.0° |
| H40 | C10 | C11 | H43 | 56.8° | 178.5° |
| H40 | C10 | C11 | H42 | 176.5° | 58.4° |
| H41 | C10 | C11 | H43 | 62.8° | 58.5° |
| H41 | C10 | C11 | H42 | 56.9° | 61.6° |
| H31 | C13 | C14 | H44 | 61.8° | 180.0° |
| H31 | C13 | C14 | H45 | 178.8° | 60.0° |
| H31 | C13 | C18 | H32 | 177.2° | 180.0° |
| H44 | C14 | C15 | H47 | 57.9° | 60.0° |
| H44 | C14 | C15 | H46 | 61.8° | 180.0° |
| H45 | C14 | C15 | H47 | 177.4° | 60.0° |
| H45 | C14 | C15 | H46 | 57.6° | 60.0° |
| H47 | C15 | C16 | H48 | 177.8° | 60.1° |
| H47 | C15 | C16 | H49 | 58.1° | 60.0° |
| H46 | C15 | C16 | H48 | 58.1° | 180.0° |
| H46 | C15 | C16 | H49 | 61.7° | 60.0° |
| H48 | C16 | C17 | H50 | 58.0° | 60.0° |
| H48 | C16 | C17 | H51 | 177.5° | 180.0° |
| H49 | C16 | C17 | H50 | 61.8° | 60.0° |
| H49 | C16 | C17 | H51 | 57.8° | 60.0° |
| H53 | C24 | C25 | H54 | 0.1° | 0.0° |
| H54 | C25 | C26 | H55 | 0.0° | 0.0° |
| H55 | C26 | C27 | H56 | 0.0° | 0.3° |
| H56 | C27 | C28 | H57 | 0.1° | 0.7° |
| H50 | C17 | C18 | H32 | 59.1° | 60.0° |
| H51 | C17 | C18 | H32 | 178.7° | 180.0° |
| H32 | C18 | N19 | H52 | 150.6° | 155.1° |
| H58 | C29 | C30 | H60 | 59.4° | 61.7° |
| H58 | C29 | C30 | H61 | 179.0° | 58.5° |
| H59 | C29 | C30 | H60 | 60.6° | 58.4° |
| H59 | C29 | C30 | H61 | 59.1° | 178.5° |
