UN8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S1 | doub | 1.42Å | 1.56Å | |
| S1 | O1 | doub | 1.42Å | 1.56Å | |
| S1 | C1 | sing | 1.76Å | 1.79Å | |
| S1 | N4 | sing | 1.66Å | 1.79Å | |
| C1 | C2 | doub | 1.35Å | 1.38Å | Aromatic |
| C1 | N7 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | N5 | sing | 1.37Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N5 | C4 | sing | 1.46Å | 1.46Å | |
| N5 | C3 | sing | 1.35Å | 1.35Å | Aromatic |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | C8 | sing | 1.40Å | 1.44Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | C14 | sing | 1.51Å | 1.49Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C14 | N15 | sing | 1.35Å | 1.36Å | Aromatic |
| C14 | N13 | doub | 1.31Å | 1.34Å | Aromatic |
| N15 | C55 | sing | 1.38Å | 1.33Å | Aromatic |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.41Å | 1.40Å | Aromatic |
| C55 | C54 | doub | 1.39Å | 1.36Å | Aromatic |
| C56 | O57 | doub | 1.22Å | 1.20Å | |
| C56 | N51 | sing | 1.35Å | 1.38Å | Aromatic |
| C54 | N13 | sing | 1.33Å | 1.34Å | Aromatic |
| C54 | N53 | sing | 1.39Å | 1.37Å | Aromatic |
| N53 | C59 | sing | 1.47Å | 1.50Å | |
| N53 | C52 | sing | 1.35Å | 1.42Å | Aromatic |
| C59 | C10 | sing | 1.53Å | 1.53Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C52 | O58 | doub | 1.22Å | 1.22Å | |
| C52 | N51 | sing | 1.34Å | 1.43Å | Aromatic |
| N51 | C17 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | F24 | sing | 1.35Å | 1.34Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S1 | O1 | 106.5° | 125.3° |
| O2 | S1 | C1 | 107.7° | 105.8° |
| O2 | S1 | N4 | 106.0° | 105.8° |
| O1 | S1 | C1 | 110.6° | 105.8° |
| O1 | S1 | N4 | 102.7° | 105.7° |
| C1 | S1 | N4 | 122.3° | 107.4° |
| S1 | C1 | C2 | 125.8° | 126.0° |
| S1 | C1 | N7 | 123.0° | 126.0° |
| S1 | N4 | C8 | 126.2° | 120.0° |
| S1 | N4 | HN4 | 104.3° | 120.0° |
| C2 | C1 | N7 | 111.2° | 108.0° |
| C1 | C2 | N5 | 106.1° | 106.8° |
| C1 | C2 | H2 | 127.0° | 126.6° |
| C1 | N7 | C3 | 103.8° | 109.2° |
| N5 | C2 | H2 | 126.9° | 126.6° |
| C2 | N5 | C4 | 127.7° | 126.4° |
| C2 | N5 | C3 | 106.7° | 107.2° |
| C4 | N5 | C3 | 125.6° | 126.4° |
| N5 | C4 | H41 | 109.5° | 109.5° |
| N5 | C4 | H42 | 109.4° | 109.5° |
| N5 | C4 | H43 | 109.4° | 109.5° |
| N5 | C3 | N7 | 112.3° | 108.7° |
| N5 | C3 | H3 | 123.8° | 125.6° |
| H41 | C4 | H42 | 109.5° | 109.4° |
| H41 | C4 | H43 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.4° |
| N7 | C3 | H3 | 123.8° | 125.7° |
| C8 | N4 | HN4 | 104.2° | 120.1° |
| N4 | C8 | C9 | 122.6° | 120.1° |
| N4 | C8 | C7 | 118.5° | 120.1° |
| C9 | C8 | C7 | 118.9° | 119.8° |
| C8 | C9 | C30 | 120.6° | 120.0° |
| C8 | C9 | H9 | 119.7° | 120.0° |
| C8 | C7 | C6 | 121.4° | 119.9° |
| C8 | C7 | H7 | 119.3° | 120.0° |
| C30 | C9 | H9 | 119.7° | 120.0° |
| C9 | C30 | C5 | 119.4° | 120.0° |
| C9 | C30 | H30 | 120.3° | 120.0° |
| C5 | C30 | H30 | 120.3° | 120.0° |
| C30 | C5 | C6 | 120.2° | 120.2° |
| C30 | C5 | C16 | 120.4° | 119.9° |
| C6 | C7 | H7 | 119.3° | 120.0° |
| C7 | C6 | C5 | 119.5° | 120.1° |
| C7 | C6 | H6 | 120.2° | 119.9° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| C6 | C5 | C16 | 119.4° | 119.9° |
| C5 | C16 | C14 | 108.3° | 109.4° |
| C5 | C16 | H161 | 109.8° | 109.4° |
| C5 | C16 | H162 | 110.1° | 109.4° |
| C14 | C16 | H161 | 109.9° | 109.5° |
| C14 | C16 | H162 | 110.1° | 109.5° |
| C16 | C14 | N15 | 125.8° | 125.1° |
| C16 | C14 | N13 | 119.5° | 125.1° |
| H161 | C16 | H162 | 108.6° | 109.5° |
| N15 | C14 | N13 | 114.7° | 109.7° |
| C14 | N15 | C55 | 103.1° | 107.0° |
| C14 | N15 | HN15 | 128.5° | 126.5° |
| C14 | N13 | C54 | 102.1° | 109.8° |
| C55 | N15 | HN15 | 128.5° | 126.5° |
| N15 | C55 | C56 | 131.1° | 134.6° |
| N15 | C55 | C54 | 109.0° | 106.2° |
| C56 | C55 | C54 | 119.9° | 119.2° |
| C55 | C56 | O57 | 124.4° | 120.4° |
| C55 | C56 | N51 | 118.8° | 119.2° |
| C55 | C54 | N13 | 111.1° | 107.3° |
| C55 | C54 | N53 | 124.4° | 118.8° |
| O57 | C56 | N51 | 116.7° | 120.4° |
| C56 | N51 | C52 | 120.7° | 121.0° |
| C56 | N51 | C17 | 115.2° | 119.5° |
| N13 | C54 | N53 | 124.4° | 133.9° |
| C54 | N53 | C59 | 114.8° | 119.9° |
| C54 | N53 | C52 | 116.9° | 120.1° |
| C59 | N53 | C52 | 128.3° | 120.0° |
| N53 | C59 | C10 | 116.8° | 109.5° |
| N53 | C59 | H591 | 107.1° | 109.5° |
| N53 | C59 | H592 | 105.4° | 109.5° |
| N53 | C52 | O58 | 122.0° | 119.2° |
| N53 | C52 | N51 | 119.2° | 121.7° |
| C10 | C59 | H591 | 107.1° | 109.4° |
| C10 | C59 | H592 | 105.4° | 109.5° |
| C59 | C10 | C11 | 112.8° | 109.5° |
| C59 | C10 | H101 | 108.4° | 109.4° |
| C59 | C10 | H102 | 107.6° | 109.4° |
| H591 | C59 | H592 | 115.4° | 109.5° |
| C11 | C10 | H101 | 108.4° | 109.5° |
| C11 | C10 | H102 | 107.6° | 109.5° |
| C10 | C11 | C12 | 107.7° | 109.5° |
| C10 | C11 | H111 | 110.1° | 109.5° |
| C10 | C11 | H112 | 110.5° | 109.5° |
| H101 | C10 | H102 | 112.1° | 109.5° |
| C12 | C11 | H111 | 110.1° | 109.4° |
| C12 | C11 | H112 | 110.5° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H122 | 109.4° | 109.4° |
| C11 | C12 | H123 | 109.4° | 109.5° |
| H111 | C11 | H112 | 108.1° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| O58 | C52 | N51 | 118.7° | 119.2° |
| C52 | N51 | C17 | 121.6° | 119.5° |
| N51 | C17 | C18 | 109.5° | 109.5° |
| N51 | C17 | H171 | 109.5° | 109.4° |
| N51 | C17 | H172 | 109.4° | 109.5° |
| C18 | C17 | H171 | 109.5° | 109.5° |
| C18 | C17 | H172 | 109.5° | 109.5° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C17 | C18 | C23 | 120.9° | 120.0° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| C19 | C18 | C23 | 119.3° | 120.0° |
| C18 | C19 | F24 | 119.8° | 120.1° |
| C18 | C19 | C20 | 120.8° | 119.9° |
| C18 | C23 | C22 | 119.9° | 120.0° |
| C18 | C23 | H23 | 120.1° | 120.0° |
| F24 | C19 | C20 | 119.4° | 120.0° |
| C19 | C20 | C21 | 120.5° | 119.9° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C21 | C20 | H20 | 119.7° | 120.1° |
| C20 | C21 | C22 | 119.2° | 120.1° |
| C20 | C21 | H21 | 120.4° | 120.0° |
| C22 | C21 | H21 | 120.4° | 119.9° |
| C21 | C22 | C23 | 120.3° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | H23 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S1 | O1 | C1 | 116.8° | 123.2° |
| O2 | S1 | O1 | N4 | 111.1° | 123.1° |
| O2 | S1 | C1 | N4 | 123.0° | 112.6° |
| O2 | S1 | C1 | C2 | 9.2° | 157.4° |
| O2 | S1 | C1 | N7 | 170.0° | 22.4° |
| O2 | S1 | N4 | C8 | 95.2° | 47.7° |
| O2 | S1 | N4 | HN4 | 144.8° | 132.4° |
| O1 | S1 | C1 | N4 | 121.0° | 112.6° |
| O1 | S1 | C1 | C2 | 125.2° | 22.6° |
| O1 | S1 | C1 | N7 | 54.0° | 157.1° |
| O1 | S1 | N4 | C8 | 153.3° | 177.6° |
| O1 | S1 | N4 | HN4 | 33.3° | 2.3° |
| S1 | C1 | C2 | N7 | 179.3° | 179.8° |
| S1 | C1 | C2 | N5 | 179.4° | 180.0° |
| S1 | C1 | C2 | H2 | 0.6° | 0.0° |
| S1 | C1 | N7 | C3 | 179.5° | 179.9° |
| C1 | S1 | N4 | C8 | 28.6° | 65.0° |
| C1 | S1 | N4 | HN4 | 91.4° | 114.9° |
| N4 | S1 | C1 | C2 | 113.8° | 90.0° |
| N4 | S1 | C1 | N7 | 67.0° | 90.3° |
| S1 | N4 | C8 | HN4 | 120.0° | 179.9° |
| S1 | N4 | C8 | C9 | 131.3° | 135.0° |
| S1 | N4 | C8 | C7 | 50.1° | 44.9° |
| C1 | C2 | N5 | H2 | 180.0° | 180.0° |
| C1 | C2 | N5 | C4 | 179.9° | 180.0° |
| C1 | C2 | N5 | C3 | 0.0° | 0.0° |
| C2 | C1 | N7 | C3 | 0.2° | 0.4° |
| N7 | C1 | C2 | N5 | 0.1° | 0.2° |
| N7 | C1 | C2 | H2 | 179.8° | 179.8° |
| C1 | N7 | C3 | N5 | 0.2° | 0.4° |
| C1 | N7 | C3 | H3 | 179.8° | 179.9° |
| C2 | N5 | C4 | C3 | 179.8° | 179.9° |
| C2 | N5 | C4 | H41 | 65.7° | 90.0° |
| C2 | N5 | C4 | H42 | 174.3° | 150.0° |
| C2 | N5 | C4 | H43 | 54.3° | 30.1° |
| C2 | N5 | C3 | N7 | 0.1° | 0.2° |
| C2 | N5 | C3 | H3 | 179.9° | 180.0° |
| H2 | C2 | N5 | C4 | 0.1° | 0.0° |
| H2 | C2 | N5 | C3 | 179.9° | 180.0° |
| N5 | C4 | H41 | H42 | 120.0° | 120.0° |
| N5 | C4 | H41 | H43 | 120.0° | 120.1° |
| N5 | C4 | H42 | H43 | 120.0° | 120.0° |
| C4 | N5 | C3 | N7 | 179.8° | 179.7° |
| C4 | N5 | C3 | H3 | 0.3° | 0.0° |
| C3 | N5 | C4 | H41 | 114.1° | 89.9° |
| C3 | N5 | C4 | H42 | 5.9° | 30.1° |
| C3 | N5 | C4 | H43 | 125.9° | 150.0° |
| N5 | C3 | N7 | H3 | 180.0° | 179.8° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
| N4 | C8 | C9 | C7 | 178.5° | 180.0° |
| N4 | C8 | C9 | C30 | 179.7° | 180.0° |
| N4 | C8 | C9 | H9 | 0.3° | 0.1° |
| N4 | C8 | C7 | C6 | 179.9° | 179.7° |
| N4 | C8 | C7 | H7 | 0.1° | 0.1° |
| HN4 | N4 | C8 | C9 | 11.3° | 45.0° |
| HN4 | N4 | C8 | C7 | 170.1° | 135.0° |
| C8 | C9 | C30 | H9 | 180.0° | 180.0° |
| C8 | C9 | C30 | C5 | 1.1° | 0.0° |
| C8 | C9 | C30 | H30 | 178.9° | 180.0° |
| C9 | C8 | C7 | C6 | 1.3° | 0.3° |
| C9 | C8 | C7 | H7 | 178.7° | 180.0° |
| C7 | C8 | C9 | C30 | 1.2° | 0.0° |
| C7 | C8 | C9 | H9 | 178.8° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 1.2° | 0.5° |
| C8 | C7 | C6 | H6 | 178.8° | 180.0° |
| C9 | C30 | C5 | H30 | 180.0° | 179.9° |
| C9 | C30 | C5 | C6 | 1.0° | 0.3° |
| C9 | C30 | C5 | C16 | 179.7° | 180.0° |
| H9 | C9 | C30 | C5 | 178.9° | 179.9° |
| H9 | C9 | C30 | H30 | 1.1° | 0.0° |
| C30 | C5 | C6 | C7 | 1.1° | 0.6° |
| C30 | C5 | C6 | C16 | 178.7° | 179.7° |
| C30 | C5 | C6 | H6 | 178.9° | 180.0° |
| C30 | C5 | C16 | C14 | 100.4° | 90.0° |
| C30 | C5 | C16 | H161 | 19.6° | 30.0° |
| C30 | C5 | C16 | H162 | 139.1° | 150.0° |
| H30 | C30 | C5 | C6 | 179.0° | 179.7° |
| H30 | C30 | C5 | C16 | 0.3° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.4° |
| C7 | C6 | C5 | C16 | 179.8° | 179.7° |
| H7 | C7 | C6 | C5 | 178.8° | 179.7° |
| H7 | C7 | C6 | H6 | 1.2° | 0.3° |
| C6 | C5 | C16 | C14 | 78.3° | 90.3° |
| C6 | C5 | C16 | H161 | 161.7° | 149.7° |
| C6 | C5 | C16 | H162 | 42.2° | 29.7° |
| H6 | C6 | C5 | C16 | 0.2° | 0.3° |
| C5 | C16 | C14 | H161 | 120.0° | 120.0° |
| C5 | C16 | C14 | H162 | 120.5° | 120.0° |
| C5 | C16 | H161 | H162 | 120.5° | 119.9° |
| C5 | C16 | C14 | N15 | 88.9° | 125.0° |
| C5 | C16 | C14 | N13 | 91.4° | 55.0° |
| C14 | C16 | H161 | H162 | 120.5° | 120.1° |
| C16 | C14 | N15 | N13 | 179.7° | 179.9° |
| C16 | C14 | N15 | C55 | 179.2° | 180.0° |
| C16 | C14 | N15 | HN15 | 0.7° | 0.1° |
| C16 | C14 | N13 | C54 | 179.7° | 179.8° |
| H161 | C16 | C14 | N15 | 31.1° | 115.0° |
| H161 | C16 | C14 | N13 | 148.6° | 65.0° |
| H162 | C16 | C14 | N15 | 150.6° | 5.1° |
| H162 | C16 | C14 | N13 | 29.1° | 175.0° |
| C14 | N15 | C55 | HN15 | 180.0° | 179.9° |
| C14 | N15 | C55 | C56 | 178.3° | 180.0° |
| C14 | N15 | C55 | C54 | 1.3° | 0.2° |
| N15 | C14 | N13 | C54 | 0.6° | 0.3° |
| N13 | C14 | N15 | C55 | 0.4° | 0.1° |
| N13 | C14 | N15 | HN15 | 179.6° | 180.0° |
| C14 | N13 | C54 | C55 | 1.4° | 0.4° |
| C14 | N13 | C54 | N53 | 179.1° | 179.5° |
| N15 | C55 | C56 | C54 | 179.5° | 179.8° |
| N15 | C55 | C56 | O57 | 2.6° | 0.1° |
| N15 | C55 | C56 | N51 | 179.5° | 180.0° |
| N15 | C55 | C54 | N13 | 1.8° | 0.4° |
| N15 | C55 | C54 | N53 | 179.5° | 179.6° |
| HN15 | N15 | C55 | C56 | 1.7° | 0.1° |
| HN15 | N15 | C55 | C54 | 178.7° | 179.7° |
| C55 | C56 | O57 | N51 | 176.9° | 179.9° |
| C56 | C55 | C54 | N13 | 177.8° | 179.8° |
| C56 | C55 | C54 | N53 | 0.1° | 0.5° |
| C55 | C56 | N51 | C52 | 0.4° | 0.0° |
| C55 | C56 | N51 | C17 | 162.8° | 180.0° |
| C54 | C55 | C56 | O57 | 177.9° | 179.7° |
| C54 | C55 | C56 | N51 | 1.0° | 0.2° |
| C55 | C54 | N13 | N53 | 177.7° | 179.1° |
| C55 | C54 | N53 | C59 | 178.7° | 179.8° |
| C55 | C54 | N53 | C52 | 1.8° | 0.5° |
| O57 | C56 | N51 | C52 | 177.5° | 179.9° |
| O57 | C56 | N51 | C17 | 20.1° | 0.0° |
| C56 | N51 | C52 | N53 | 1.3° | 0.0° |
| C56 | N51 | C52 | O58 | 176.8° | 180.0° |
| C56 | N51 | C52 | C17 | 161.3° | 180.0° |
| C56 | N51 | C17 | C18 | 99.4° | 90.0° |
| C56 | N51 | C17 | H171 | 20.7° | 30.1° |
| C56 | N51 | C17 | H172 | 140.7° | 150.0° |
| N13 | C54 | N53 | C59 | 1.2° | 0.8° |
| N13 | C54 | N53 | C52 | 179.2° | 179.6° |
| C54 | N53 | C59 | C52 | 179.5° | 179.7° |
| C54 | N53 | C59 | C10 | 163.1° | 90.3° |
| C54 | N53 | C59 | H591 | 43.1° | 149.7° |
| C54 | N53 | C59 | H592 | 80.3° | 29.7° |
| C54 | N53 | C52 | O58 | 175.7° | 179.7° |
| C54 | N53 | C52 | N51 | 2.3° | 0.3° |
| N53 | C59 | C10 | H591 | 120.0° | 120.0° |
| N53 | C59 | C10 | H592 | 116.6° | 120.0° |
| N53 | C59 | H591 | H592 | 117.0° | 120.0° |
| N53 | C59 | C10 | C11 | 121.0° | 180.0° |
| N53 | C59 | C10 | H101 | 119.0° | 60.0° |
| N53 | C59 | C10 | H102 | 2.4° | 59.9° |
| C59 | N53 | C52 | O58 | 3.8° | 0.0° |
| C59 | N53 | C52 | N51 | 178.2° | 180.0° |
| C52 | N53 | C59 | C10 | 17.4° | 90.0° |
| C52 | N53 | C59 | H591 | 137.5° | 29.9° |
| C52 | N53 | C59 | H592 | 99.2° | 150.0° |
| N53 | C52 | O58 | N51 | 178.0° | 180.0° |
| N53 | C52 | N51 | C17 | 160.0° | 180.0° |
| C10 | C59 | H591 | H592 | 117.0° | 120.0° |
| C59 | C10 | C11 | H101 | 120.0° | 120.0° |
| C59 | C10 | C11 | H102 | 118.6° | 120.0° |
| C59 | C10 | H101 | H102 | 118.7° | 119.9° |
| C59 | C10 | C11 | C12 | 128.9° | 180.0° |
| C59 | C10 | C11 | H111 | 8.9° | 60.0° |
| C59 | C10 | C11 | H112 | 110.4° | 60.0° |
| H591 | C59 | C10 | C11 | 1.0° | 60.0° |
| H591 | C59 | C10 | H101 | 121.0° | 180.0° |
| H591 | C59 | C10 | H102 | 117.6° | 60.0° |
| H592 | C59 | C10 | C11 | 122.4° | 60.0° |
| H592 | C59 | C10 | H101 | 2.4° | 60.0° |
| H592 | C59 | C10 | H102 | 119.0° | 180.0° |
| C11 | C10 | H101 | H102 | 118.7° | 120.1° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 120.7° | 120.0° |
| C10 | C11 | H111 | H112 | 120.7° | 120.0° |
| C10 | C11 | C12 | H121 | 179.6° | 60.0° |
| C10 | C11 | C12 | H122 | 59.6° | 60.0° |
| C10 | C11 | C12 | H123 | 60.4° | 180.0° |
| H101 | C10 | C11 | C12 | 111.1° | 60.0° |
| H101 | C10 | C11 | H111 | 128.9° | 180.0° |
| H101 | C10 | C11 | H112 | 9.6° | 60.0° |
| H102 | C10 | C11 | C12 | 10.3° | 60.0° |
| H102 | C10 | C11 | H111 | 109.7° | 60.0° |
| H102 | C10 | C11 | H112 | 131.1° | 180.0° |
| C12 | C11 | H111 | H112 | 120.7° | 120.0° |
| C11 | C12 | H121 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H123 | 120.0° | 120.0° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 60.4° | 60.0° |
| H111 | C11 | C12 | H122 | 179.6° | 180.0° |
| H111 | C11 | C12 | H123 | 59.6° | 60.0° |
| H112 | C11 | C12 | H121 | 58.9° | 180.0° |
| H112 | C11 | C12 | H122 | 61.2° | 60.0° |
| H112 | C11 | C12 | H123 | 178.9° | 60.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| O58 | C52 | N51 | C17 | 22.0° | 0.0° |
| C52 | N51 | C17 | C18 | 98.4° | 90.0° |
| C52 | N51 | C17 | H171 | 141.6° | 150.0° |
| C52 | N51 | C17 | H172 | 21.6° | 30.0° |
| N51 | C17 | C18 | H171 | 120.0° | 120.0° |
| N51 | C17 | C18 | H172 | 120.0° | 120.0° |
| N51 | C17 | H171 | H172 | 120.0° | 120.0° |
| N51 | C17 | C18 | C19 | 146.4° | 75.3° |
| N51 | C17 | C18 | C23 | 35.9° | 105.0° |
| C18 | C17 | H171 | H172 | 120.0° | 120.0° |
| C17 | C18 | C19 | C23 | 177.8° | 179.7° |
| C17 | C18 | C19 | F24 | 2.6° | 0.3° |
| C17 | C18 | C19 | C20 | 178.1° | 179.8° |
| C17 | C18 | C23 | C22 | 178.7° | 180.0° |
| C17 | C18 | C23 | H23 | 1.3° | 0.1° |
| H171 | C17 | C18 | C19 | 26.4° | 164.7° |
| H171 | C17 | C18 | C23 | 155.9° | 15.0° |
| H172 | C17 | C18 | C19 | 93.7° | 44.7° |
| H172 | C17 | C18 | C23 | 84.1° | 135.0° |
| C18 | C19 | F24 | C20 | 179.3° | 179.5° |
| C18 | C19 | C20 | C21 | 0.9° | 0.5° |
| C18 | C19 | C20 | H20 | 179.1° | 179.7° |
| C19 | C18 | C23 | C22 | 0.9° | 0.2° |
| C19 | C18 | C23 | H23 | 179.1° | 179.8° |
| C23 | C18 | C19 | F24 | 179.6° | 180.0° |
| C23 | C18 | C19 | C20 | 0.3° | 0.5° |
| C18 | C23 | C22 | C21 | 0.2° | 0.0° |
| C18 | C23 | C22 | H23 | 180.0° | 180.0° |
| C18 | C23 | C22 | H22 | 179.8° | 180.0° |
| F24 | C19 | C20 | C21 | 178.4° | 180.0° |
| F24 | C19 | C20 | H20 | 1.6° | 0.2° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 1.5° | 0.2° |
| C19 | C20 | C21 | H21 | 178.4° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 1.0° | 0.1° |
| C20 | C21 | C22 | H22 | 179.0° | 180.0° |
| H20 | C20 | C21 | C22 | 178.5° | 179.9° |
| H20 | C20 | C21 | H21 | 1.6° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | H23 | 179.8° | 179.9° |
| H21 | C21 | C22 | C23 | 179.0° | 180.0° |
| H21 | C21 | C22 | H22 | 1.0° | 0.1° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
