A1JIO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| N3 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C9 | sing | 1.54Å | 1.54Å | |
| C9 | C10 | sing | 1.54Å | 1.51Å | |
| C10 | F11 | sing | 1.40Å | 1.37Å | |
| C10 | F12 | sing | 1.40Å | 1.38Å | |
| C7 | O13 | sing | 1.43Å | 1.43Å | |
| C6 | S14 | sing | 1.81Å | 1.80Å | |
| S14 | C15 | sing | 1.81Å | 1.81Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | N18 | sing | 1.46Å | 1.46Å | |
| N18 | N19 | sing | 1.29Å | 1.35Å | Aromatic |
| N19 | N20 | doub | 1.29Å | 1.31Å | Aromatic |
| N20 | C21 | sing | 1.34Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.47Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | F25 | sing | 1.35Å | 1.36Å | |
| C22 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | F28 | sing | 1.35Å | 1.35Å | |
| C27 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C29 | F30 | sing | 1.35Å | 1.34Å | |
| C21 | C31 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | O32 | sing | 1.43Å | 1.42Å | |
| C15 | O33 | sing | 1.43Å | 1.43Å | |
| O33 | C34 | sing | 1.43Å | 1.44Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C35 | O36 | sing | 1.43Å | 1.42Å | |
| C34 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | O38 | sing | 1.43Å | 1.44Å | |
| C5 | O39 | doub | 1.21Å | 1.23Å | |
| C10 | C8 | sing | 1.54Å | 1.52Å | |
| C37 | C17 | sing | 1.53Å | 1.53Å | |
| C31 | N18 | sing | 1.35Å | 1.34Å | Aromatic |
| C29 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| O38 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 113.8° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.4° |
| C1 | C2 | H2A | 108.4° | 109.5° |
| C1 | C2 | H2B | 108.4° | 109.5° |
| C2 | N3 | C4 | 114.0° | 120.0° |
| C2 | N3 | C5 | 124.6° | 120.1° |
| N3 | C2 | H2A | 108.4° | 109.4° |
| N3 | C2 | H2B | 108.4° | 109.5° |
| C4 | N3 | C5 | 121.3° | 120.0° |
| N3 | C4 | H4A | 109.5° | 109.4° |
| N3 | C4 | H4B | 109.5° | 109.5° |
| N3 | C4 | H4C | 109.5° | 109.5° |
| N3 | C5 | C6 | 121.0° | 120.0° |
| N3 | C5 | O39 | 120.6° | 120.0° |
| C5 | C6 | C7 | 111.8° | 109.4° |
| C5 | C6 | S14 | 111.6° | 109.5° |
| C6 | C5 | O39 | 118.3° | 119.9° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C6 | C7 | C8 | 121.0° | 113.6° |
| C6 | C7 | C9 | 118.4° | 113.6° |
| C6 | C7 | O13 | 108.8° | 112.9° |
| C7 | C6 | S14 | 111.5° | 109.4° |
| C7 | C6 | H6 | 108.0° | 109.5° |
| C8 | C7 | C9 | 88.5° | 87.1° |
| C8 | C7 | O13 | 109.9° | 113.6° |
| C7 | C8 | C10 | 89.1° | 87.1° |
| C7 | C8 | H8A | 114.3° | 113.7° |
| C7 | C8 | H8B | 114.3° | 113.6° |
| C7 | C9 | C10 | 89.1° | 87.0° |
| C9 | C7 | O13 | 108.5° | 113.7° |
| C7 | C9 | H9A | 114.3° | 113.6° |
| C7 | C9 | H9B | 114.3° | 113.7° |
| C9 | C10 | F11 | 113.4° | 113.6° |
| C9 | C10 | F12 | 115.1° | 113.7° |
| C9 | C10 | C8 | 90.0° | 87.1° |
| C10 | C9 | H9A | 114.3° | 113.6° |
| C10 | C9 | H9B | 114.3° | 113.6° |
| F11 | C10 | F12 | 107.0° | 112.8° |
| F11 | C10 | C8 | 115.0° | 113.7° |
| F12 | C10 | C8 | 115.9° | 113.6° |
| C7 | O13 | H13 | 109.5° | 114.0° |
| C6 | S14 | C15 | 100.5° | 103.0° |
| S14 | C6 | H6 | 105.3° | 109.5° |
| S14 | C15 | C16 | 109.4° | 109.5° |
| S14 | C15 | O33 | 108.1° | 109.5° |
| S14 | C15 | H15 | 107.0° | 109.5° |
| C15 | C16 | C17 | 106.9° | 109.2° |
| C15 | C16 | O32 | 109.4° | 109.6° |
| C16 | C15 | O33 | 110.3° | 109.4° |
| C16 | C15 | H15 | 110.2° | 109.5° |
| C15 | C16 | H16 | 109.9° | 109.6° |
| C16 | C17 | N18 | 112.7° | 109.5° |
| C17 | C16 | O32 | 109.0° | 109.5° |
| C16 | C17 | C37 | 112.2° | 109.0° |
| C16 | C17 | H17 | 107.1° | 109.6° |
| C17 | C16 | H16 | 110.0° | 109.5° |
| C17 | N18 | N19 | 119.8° | 125.7° |
| N18 | C17 | C37 | 109.7° | 109.5° |
| C17 | N18 | C31 | 129.5° | 125.8° |
| N18 | C17 | H17 | 107.8° | 109.6° |
| N18 | N19 | N20 | 107.1° | 110.5° |
| N19 | N18 | C31 | 110.7° | 108.5° |
| N19 | N20 | C21 | 109.1° | 108.8° |
| N20 | C21 | C22 | 122.0° | 126.9° |
| N20 | C21 | C31 | 107.9° | 106.2° |
| C21 | C22 | C23 | 120.3° | 120.1° |
| C21 | C22 | C26 | 119.6° | 120.1° |
| C22 | C21 | C31 | 130.1° | 126.9° |
| C22 | C23 | C24 | 119.0° | 119.9° |
| C23 | C22 | C26 | 120.0° | 119.8° |
| C22 | C23 | H23 | 120.5° | 120.1° |
| C23 | C24 | F25 | 119.9° | 119.9° |
| C23 | C24 | C29 | 121.6° | 120.1° |
| C24 | C23 | H23 | 120.5° | 120.0° |
| F25 | C24 | C29 | 118.5° | 120.0° |
| C22 | C26 | C27 | 119.0° | 119.9° |
| C22 | C26 | H26 | 120.5° | 120.0° |
| C26 | C27 | F28 | 119.4° | 119.9° |
| C26 | C27 | C29 | 121.8° | 120.1° |
| C27 | C26 | H26 | 120.5° | 120.1° |
| F28 | C27 | C29 | 118.8° | 120.0° |
| C27 | C29 | F30 | 121.2° | 119.9° |
| C27 | C29 | C24 | 118.6° | 120.2° |
| F30 | C29 | C24 | 120.2° | 119.9° |
| C21 | C31 | N18 | 105.3° | 106.0° |
| C21 | C31 | H31 | 127.4° | 127.0° |
| O32 | C16 | H16 | 111.5° | 109.6° |
| C16 | O32 | H32 | 109.5° | 114.0° |
| C15 | O33 | C34 | 112.5° | 114.1° |
| O33 | C15 | H15 | 111.7° | 109.5° |
| O33 | C34 | C35 | 105.5° | 109.5° |
| O33 | C34 | C37 | 108.1° | 109.4° |
| O33 | C34 | H34 | 111.0° | 109.4° |
| C34 | C35 | O36 | 110.2° | 109.5° |
| C35 | C34 | C37 | 112.1° | 109.5° |
| C35 | C34 | H34 | 110.1° | 109.5° |
| C34 | C35 | H35A | 109.3° | 109.5° |
| C34 | C35 | H35B | 109.3° | 109.5° |
| O36 | C35 | H35A | 109.3° | 109.4° |
| O36 | C35 | H35B | 109.3° | 109.5° |
| C35 | O36 | H36 | 109.5° | 114.0° |
| C34 | C37 | O38 | 109.9° | 109.5° |
| C34 | C37 | C17 | 109.1° | 109.2° |
| C37 | C34 | H34 | 109.8° | 109.5° |
| C34 | C37 | H37 | 109.2° | 109.5° |
| O38 | C37 | C17 | 109.2° | 109.5° |
| O38 | C37 | H37 | 110.4° | 109.5° |
| C37 | O38 | H38 | 109.5° | 114.0° |
| C10 | C8 | H8A | 114.3° | 113.6° |
| C10 | C8 | H8B | 114.3° | 113.7° |
| C37 | C17 | H17 | 107.0° | 109.6° |
| C17 | C37 | H37 | 109.0° | 109.6° |
| N18 | C31 | H31 | 127.4° | 126.9° |
| H4A | C4 | H4B | 109.4° | 109.4° |
| H4A | C4 | H4C | 109.4° | 109.5° |
| H4B | C4 | H4C | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 112.9° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H1B | C1 | H1C | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 112.9° |
| H35A | C35 | H35B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | H2A | 120.6° | 119.9° |
| C1 | C2 | N3 | H2B | 120.6° | 120.1° |
| C1 | C2 | N3 | C4 | 81.8° | 90.1° |
| C1 | C2 | N3 | C5 | 95.3° | 90.3° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 119.9° |
| C2 | C1 | H1B | H1C | 120.0° | 119.9° |
| C1 | C2 | H2A | H2B | 118.0° | 120.0° |
| C2 | N3 | C4 | C5 | 177.2° | 179.7° |
| C2 | N3 | C5 | C6 | 2.2° | 179.7° |
| C2 | N3 | C5 | O39 | 178.0° | 0.3° |
| C2 | N3 | C4 | H4A | 180.0° | 90.3° |
| C2 | N3 | C4 | H4B | 60.0° | 29.6° |
| C2 | N3 | C4 | H4C | 60.0° | 149.7° |
| N3 | C2 | C1 | H1A | 180.0° | 59.9° |
| N3 | C2 | C1 | H1B | 60.0° | 180.0° |
| N3 | C2 | C1 | H1C | 60.0° | 60.1° |
| N3 | C2 | H2A | H2B | 118.0° | 120.0° |
| C4 | N3 | C5 | C6 | 179.1° | 0.0° |
| C4 | N3 | C5 | O39 | 5.1° | 180.0° |
| N3 | C4 | H4A | H4B | 120.0° | 120.0° |
| N3 | C4 | H4A | H4C | 120.0° | 120.0° |
| N3 | C4 | H4B | H4C | 120.0° | 120.1° |
| C4 | N3 | C2 | H2A | 157.6° | 150.0° |
| C4 | N3 | C2 | H2B | 38.9° | 30.0° |
| N3 | C5 | C6 | O39 | 175.9° | 180.0° |
| N3 | C5 | C6 | C7 | 123.2° | 80.0° |
| N3 | C5 | C6 | S14 | 111.1° | 160.0° |
| C5 | N3 | C4 | H4A | 2.8° | 90.0° |
| C5 | N3 | C4 | H4B | 122.8° | 150.0° |
| C5 | N3 | C4 | H4C | 117.2° | 29.9° |
| N3 | C5 | C6 | H6 | 4.4° | 40.0° |
| C5 | N3 | C2 | H2A | 25.3° | 29.7° |
| C5 | N3 | C2 | H2B | 144.0° | 149.7° |
| C5 | C6 | C7 | S14 | 125.8° | 120.0° |
| C5 | C6 | C7 | H6 | 118.9° | 120.0° |
| C5 | C6 | C7 | C8 | 35.1° | 176.1° |
| C5 | C6 | C7 | C9 | 71.7° | 86.5° |
| C5 | C6 | C7 | O13 | 163.8° | 44.8° |
| C5 | C6 | S14 | H6 | 117.2° | 120.1° |
| C5 | C6 | S14 | C15 | 96.4° | 67.8° |
| C6 | C7 | C8 | C9 | 122.7° | 114.5° |
| C6 | C7 | C8 | O13 | 128.2° | 130.9° |
| C6 | C7 | C9 | O13 | 124.6° | 130.9° |
| C6 | C7 | C9 | C10 | 138.6° | 140.0° |
| C7 | C6 | S14 | H6 | 116.9° | 120.0° |
| C7 | C6 | S14 | C15 | 137.7° | 172.3° |
| C7 | C6 | C5 | O39 | 60.9° | 100.0° |
| C6 | C7 | C8 | C10 | 136.3° | 140.0° |
| C6 | C7 | C8 | H8A | 19.9° | 25.4° |
| C6 | C7 | C8 | H8B | 107.3° | 105.4° |
| C6 | C7 | C9 | H9A | 105.1° | 105.5° |
| C6 | C7 | C9 | H9B | 22.2° | 25.4° |
| C6 | C7 | O13 | H13 | 180.0° | 180.0° |
| C8 | C7 | C9 | O13 | 110.5° | 114.6° |
| C8 | C7 | C9 | C10 | 13.7° | 25.4° |
| C7 | C8 | C10 | F11 | 102.1° | 89.1° |
| C7 | C8 | C10 | F12 | 132.0° | 140.1° |
| C8 | C7 | C6 | S14 | 160.9° | 56.1° |
| C7 | C8 | C10 | H8A | 116.4° | 114.6° |
| C7 | C8 | C10 | H8B | 116.4° | 114.5° |
| C8 | C7 | C6 | H6 | 83.8° | 63.9° |
| C7 | C8 | H8A | H8B | 129.7° | 131.2° |
| C8 | C7 | C9 | H9A | 130.1° | 140.0° |
| C8 | C7 | C9 | H9B | 102.7° | 89.1° |
| C8 | C7 | O13 | H13 | 45.4° | 48.8° |
| C7 | C9 | C10 | H9A | 116.3° | 114.5° |
| C7 | C9 | C10 | H9B | 116.4° | 114.6° |
| C7 | C9 | C10 | F11 | 103.6° | 89.2° |
| C7 | C9 | C10 | F12 | 132.7° | 140.0° |
| C9 | C7 | C6 | S14 | 54.0° | 153.6° |
| C9 | C7 | C6 | H6 | 169.3° | 33.5° |
| C9 | C7 | C8 | H8A | 102.7° | 89.1° |
| C9 | C7 | C8 | H8B | 130.0° | 140.1° |
| C7 | C9 | H9A | H9B | 129.7° | 131.3° |
| C9 | C7 | O13 | H13 | 49.9° | 48.8° |
| C9 | C10 | F11 | F12 | 128.0° | 131.2° |
| C9 | C10 | F11 | C8 | 101.7° | 97.5° |
| C9 | C10 | F12 | C8 | 103.2° | 97.5° |
| C10 | C9 | C7 | O13 | 96.8° | 89.1° |
| C9 | C10 | C8 | H8A | 102.5° | 89.1° |
| C9 | C10 | C8 | H8B | 130.3° | 140.0° |
| C10 | C9 | H9A | H9B | 129.7° | 131.3° |
| F11 | C10 | F12 | C8 | 129.8° | 131.2° |
| F11 | C10 | C8 | H8A | 141.5° | 156.3° |
| F11 | C10 | C8 | H8B | 14.3° | 25.4° |
| F11 | C10 | C9 | H9A | 12.7° | 25.3° |
| F11 | C10 | C9 | H9B | 140.0° | 156.3° |
| F12 | C10 | C8 | H8A | 15.6° | 25.5° |
| F12 | C10 | C8 | H8B | 111.6° | 105.4° |
| F12 | C10 | C9 | H9A | 111.0° | 105.5° |
| F12 | C10 | C9 | H9B | 16.3° | 25.4° |
| O13 | C7 | C6 | S14 | 70.4° | 75.1° |
| O13 | C7 | C8 | C10 | 95.5° | 89.2° |
| O13 | C7 | C6 | H6 | 44.9° | 164.8° |
| O13 | C7 | C8 | H8A | 148.1° | 156.3° |
| O13 | C7 | C8 | H8B | 20.9° | 25.4° |
| O13 | C7 | C9 | H9A | 19.6° | 25.4° |
| O13 | C7 | C9 | H9B | 146.8° | 156.3° |
| C6 | S14 | C15 | C16 | 168.6° | 177.3° |
| C6 | S14 | C15 | O33 | 48.5° | 62.7° |
| S14 | C6 | C5 | O39 | 64.9° | 20.0° |
| C6 | S14 | C15 | H15 | 72.0° | 57.3° |
| S14 | C15 | C16 | O33 | 118.8° | 120.0° |
| S14 | C15 | C16 | H15 | 117.4° | 120.0° |
| S14 | C15 | C16 | C17 | 176.3° | 177.6° |
| S14 | C15 | C16 | O32 | 65.8° | 62.5° |
| S14 | C15 | O33 | H15 | 117.5° | 120.0° |
| S14 | C15 | O33 | C34 | 175.3° | 178.9° |
| C15 | S14 | C6 | H6 | 20.7° | 52.3° |
| S14 | C15 | C16 | H16 | 56.9° | 57.7° |
| C15 | C16 | C17 | O32 | 118.2° | 119.9° |
| C15 | C16 | C17 | H16 | 119.3° | 119.9° |
| C15 | C16 | C17 | N18 | 178.8° | 176.8° |
| C15 | C16 | O32 | H16 | 121.7° | 120.2° |
| C16 | C15 | O33 | H15 | 122.9° | 120.0° |
| C16 | C15 | O33 | C34 | 65.1° | 61.2° |
| C15 | C16 | C17 | C37 | 54.3° | 57.0° |
| C15 | C16 | C17 | H17 | 62.8° | 63.0° |
| C15 | C16 | O32 | H32 | 180.0° | 60.0° |
| C16 | C17 | N18 | C37 | 125.8° | 119.5° |
| C16 | C17 | N18 | H17 | 118.0° | 120.2° |
| C16 | C17 | N18 | N19 | 118.9° | 145.1° |
| C17 | C16 | O32 | H16 | 121.7° | 120.1° |
| C17 | C16 | C15 | O33 | 57.5° | 57.6° |
| C16 | C17 | C37 | C34 | 55.7° | 56.9° |
| C16 | C17 | C37 | O38 | 64.5° | 63.0° |
| C16 | C17 | C37 | H17 | 117.2° | 119.9° |
| C16 | C17 | N18 | C31 | 62.6° | 34.8° |
| C17 | C16 | C15 | H15 | 66.4° | 62.4° |
| C17 | C16 | O32 | H32 | 63.4° | 179.7° |
| C16 | C17 | C37 | H37 | 174.8° | 176.9° |
| C17 | N18 | N19 | C31 | 178.8° | 180.0° |
| C17 | N18 | N19 | N20 | 179.2° | 180.0° |
| C17 | N18 | C31 | C21 | 179.3° | 179.8° |
| N18 | C17 | C16 | O32 | 63.0° | 63.2° |
| N18 | C17 | C37 | C34 | 178.2° | 176.8° |
| N18 | C17 | C37 | O38 | 61.6° | 56.9° |
| N18 | C17 | C37 | H17 | 116.7° | 120.2° |
| N18 | C17 | C16 | H16 | 59.5° | 56.9° |
| C17 | N18 | C31 | H31 | 0.7° | 0.2° |
| N18 | C17 | C37 | H37 | 59.1° | 63.2° |
| N18 | N19 | N20 | C21 | 0.1° | 0.2° |
| N19 | N18 | C31 | C21 | 0.6° | 0.2° |
| N19 | N18 | C17 | C37 | 115.3° | 95.3° |
| N19 | N18 | C17 | H17 | 0.9° | 24.9° |
| N19 | N18 | C31 | H31 | 179.4° | 179.8° |
| N19 | N20 | C21 | C22 | 178.7° | 180.0° |
| N19 | N20 | C21 | C31 | 0.3° | 0.3° |
| N20 | N19 | N18 | C31 | 0.5° | 0.0° |
| N20 | C21 | C22 | C31 | 178.0° | 179.7° |
| N20 | C21 | C22 | C23 | 15.4° | 0.4° |
| N20 | C21 | C22 | C26 | 160.8° | 179.4° |
| N20 | C21 | C31 | N18 | 0.6° | 0.3° |
| N20 | C21 | C31 | H31 | 179.4° | 179.7° |
| C21 | C22 | C23 | C26 | 176.2° | 179.8° |
| C21 | C22 | C23 | C24 | 177.4° | 180.0° |
| C21 | C22 | C26 | C27 | 177.4° | 180.0° |
| C22 | C21 | C31 | N18 | 178.8° | 180.0° |
| C21 | C22 | C26 | H26 | 2.6° | 0.0° |
| C21 | C22 | C23 | H23 | 2.6° | 0.1° |
| C22 | C21 | C31 | H31 | 1.2° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | F25 | 179.3° | 180.0° |
| C23 | C22 | C26 | C27 | 1.1° | 0.3° |
| C23 | C22 | C21 | C31 | 166.5° | 180.0° |
| C22 | C23 | C24 | C29 | 0.1° | 0.0° |
| C23 | C22 | C26 | H26 | 178.8° | 179.8° |
| C23 | C24 | F25 | C29 | 179.4° | 180.0° |
| C24 | C23 | C22 | C26 | 1.2° | 0.2° |
| C23 | C24 | C29 | C27 | 1.1° | 0.3° |
| C23 | C24 | C29 | F30 | 179.5° | 180.0° |
| F25 | C24 | C29 | C27 | 179.6° | 179.7° |
| F25 | C24 | C29 | F30 | 0.1° | 0.0° |
| F25 | C24 | C23 | H23 | 0.7° | 0.0° |
| C22 | C26 | C27 | H26 | 180.0° | 180.0° |
| C22 | C26 | C27 | F28 | 178.8° | 180.0° |
| C22 | C26 | C27 | C29 | 0.0° | 0.0° |
| C26 | C22 | C21 | C31 | 17.2° | 0.3° |
| C26 | C22 | C23 | H23 | 178.8° | 179.7° |
| C26 | C27 | F28 | C29 | 178.9° | 180.0° |
| C26 | C27 | C29 | F30 | 179.5° | 180.0° |
| C26 | C27 | C29 | C24 | 1.1° | 0.3° |
| F28 | C27 | C29 | F30 | 0.6° | 0.0° |
| F28 | C27 | C29 | C24 | 179.9° | 179.7° |
| F28 | C27 | C26 | H26 | 1.2° | 0.1° |
| C27 | C29 | F30 | C24 | 179.4° | 179.7° |
| C29 | C27 | C26 | H26 | 180.0° | 180.0° |
| C21 | C31 | N18 | H31 | 180.0° | 180.0° |
| O32 | C16 | C15 | O33 | 175.4° | 177.5° |
| O32 | C16 | C17 | C37 | 172.5° | 176.9° |
| O32 | C16 | C15 | H15 | 51.6° | 57.5° |
| O32 | C16 | C17 | H17 | 55.4° | 57.0° |
| C15 | O33 | C34 | C35 | 175.9° | 178.9° |
| C15 | O33 | C34 | C37 | 63.9° | 61.1° |
| O33 | C15 | C16 | H16 | 61.9° | 62.3° |
| C15 | O33 | C34 | H34 | 56.6° | 58.8° |
| O33 | C34 | C35 | C37 | 117.5° | 120.0° |
| O33 | C34 | C35 | H34 | 119.9° | 120.0° |
| O33 | C34 | C35 | O36 | 65.5° | 65.0° |
| O33 | C34 | C37 | H34 | 121.3° | 119.9° |
| O33 | C34 | C37 | O38 | 62.4° | 62.4° |
| O33 | C34 | C37 | C17 | 57.3° | 57.6° |
| C34 | O33 | C15 | H15 | 57.8° | 58.8° |
| O33 | C34 | C35 | H35A | 174.4° | 175.1° |
| O33 | C34 | C35 | H35B | 54.6° | 55.1° |
| O33 | C34 | C37 | H37 | 176.3° | 177.6° |
| C34 | C35 | O36 | H35A | 120.1° | 120.0° |
| C34 | C35 | O36 | H35B | 120.1° | 120.1° |
| C35 | C34 | C37 | H34 | 122.7° | 120.1° |
| C35 | C34 | C37 | O38 | 53.5° | 57.6° |
| C35 | C34 | C37 | C17 | 173.2° | 177.6° |
| C34 | C35 | H35A | H35B | 119.7° | 120.0° |
| C34 | C35 | O36 | H36 | 180.0° | 180.0° |
| C35 | C34 | C37 | H37 | 67.7° | 62.4° |
| O36 | C35 | C34 | C37 | 177.0° | 175.0° |
| O36 | C35 | C34 | H34 | 54.4° | 55.0° |
| O36 | C35 | H35A | H35B | 119.6° | 120.0° |
| C34 | C37 | O38 | C17 | 119.6° | 119.7° |
| C34 | C37 | O38 | H37 | 120.5° | 120.1° |
| C34 | C37 | C17 | H37 | 119.1° | 120.0° |
| C34 | C37 | C17 | H17 | 61.5° | 63.0° |
| C37 | C34 | C35 | H35A | 56.9° | 55.1° |
| C37 | C34 | C35 | H35B | 62.9° | 64.9° |
| C34 | C37 | O38 | H38 | 180.0° | 60.0° |
| O38 | C37 | C17 | H37 | 120.7° | 120.1° |
| O38 | C37 | C17 | H17 | 178.3° | 177.2° |
| O38 | C37 | C34 | H34 | 176.2° | 177.7° |
| O39 | C5 | C6 | H6 | 179.7° | 140.0° |
| C10 | C8 | H8A | H8B | 129.7° | 131.3° |
| C8 | C10 | C9 | H9A | 130.2° | 140.0° |
| C8 | C10 | C9 | H9B | 102.6° | 89.1° |
| C37 | C17 | N18 | C31 | 63.2° | 84.7° |
| C37 | C17 | C16 | H16 | 64.9° | 63.0° |
| C17 | C37 | C34 | H34 | 64.0° | 62.4° |
| C17 | C37 | O38 | H38 | 60.3° | 179.7° |
| C31 | N18 | C17 | H17 | 179.4° | 155.0° |
| C29 | C24 | C23 | H23 | 179.9° | 180.0° |
| H4A | C4 | H4B | H4C | 120.0° | 120.0° |
| H15 | C15 | C16 | H16 | 174.3° | 177.8° |
| H17 | C17 | C16 | H16 | 178.0° | 177.1° |
| H17 | C17 | C37 | H37 | 57.6° | 57.0° |
| H1A | C1 | H1B | H1C | 120.0° | 120.0° |
| H1A | C1 | C2 | H2A | 59.3° | 60.0° |
| H1A | C1 | C2 | H2B | 59.4° | 180.0° |
| H1B | C1 | C2 | H2A | 60.7° | 60.0° |
| H1B | C1 | C2 | H2B | 179.4° | 60.0° |
| H1C | C1 | C2 | H2A | 179.3° | 180.0° |
| H1C | C1 | C2 | H2B | 60.6° | 60.0° |
| H16 | C16 | O32 | H32 | 58.3° | 60.2° |
| H34 | C34 | C35 | H35A | 65.7° | 65.0° |
| H34 | C34 | C35 | H35B | 174.5° | 175.0° |
| H34 | C34 | C37 | H37 | 55.0° | 57.7° |
| H35A | C35 | O36 | H36 | 59.9° | 60.0° |
| H35B | C35 | O36 | H36 | 59.9° | 60.0° |
| H37 | C37 | O38 | H38 | 59.5° | 60.1° |
