A1JIP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | C4 | sing | 1.46Å | 1.46Å | |
| N3 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | O10 | sing | 1.43Å | 1.42Å | |
| O10 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C7 | O13 | sing | 1.43Å | 1.44Å | |
| C6 | S14 | sing | 1.81Å | 1.79Å | |
| S14 | C15 | sing | 1.81Å | 1.79Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | N18 | sing | 1.47Å | 1.45Å | |
| N18 | N19 | sing | 1.29Å | 1.35Å | Aromatic |
| N19 | N20 | doub | 1.29Å | 1.31Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 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 | 1.35Å | |
| 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 | 1.50Å | |
| C35 | O36 | sing | 1.43Å | 1.41Å | |
| C34 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | O38 | sing | 1.43Å | 1.43Å | |
| C5 | O39 | doub | 1.21Å | 1.22Å | |
| C12 | C7 | sing | 1.53Å | 1.53Å | |
| C37 | C17 | sing | 1.53Å | 1.53Å | |
| C31 | N18 | sing | 1.35Å | 1.35Å | Aromatic |
| C29 | C24 | doub | 1.39Å | 1.36Å | 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 | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | 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 | 112.6° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.4° | 109.5° |
| C1 | C2 | H2A | 108.7° | 109.5° |
| C1 | C2 | H2B | 108.7° | 109.5° |
| C2 | N3 | C4 | 114.2° | 120.0° |
| C2 | N3 | C5 | 125.9° | 120.0° |
| N3 | C2 | H2A | 108.7° | 109.5° |
| N3 | C2 | H2B | 108.7° | 109.5° |
| C4 | N3 | C5 | 119.9° | 120.0° |
| N3 | C4 | H4A | 109.5° | 109.5° |
| N3 | C4 | H4B | 109.5° | 109.5° |
| N3 | C4 | H4C | 109.5° | 109.5° |
| N3 | C5 | C6 | 119.9° | 120.0° |
| N3 | C5 | O39 | 121.1° | 120.0° |
| C5 | C6 | C7 | 113.5° | 109.4° |
| C5 | C6 | S14 | 109.7° | 109.4° |
| C6 | C5 | O39 | 118.8° | 120.1° |
| C5 | C6 | H6 | 107.4° | 109.5° |
| C6 | C7 | C8 | 112.0° | 109.6° |
| C6 | C7 | O13 | 107.7° | 109.5° |
| C7 | C6 | S14 | 114.0° | 109.5° |
| C6 | C7 | C12 | 113.1° | 109.5° |
| C7 | C6 | H6 | 107.0° | 109.5° |
| C7 | C8 | C9 | 111.6° | 109.2° |
| C8 | C7 | O13 | 107.5° | 109.5° |
| C8 | C7 | C12 | 109.7° | 109.0° |
| C7 | C8 | H8A | 108.9° | 109.6° |
| C7 | C8 | H8B | 108.9° | 109.5° |
| C8 | C9 | O10 | 112.0° | 109.4° |
| C9 | C8 | H8A | 108.9° | 109.5° |
| C9 | C8 | H8B | 108.9° | 109.5° |
| C8 | C9 | H9A | 108.8° | 109.5° |
| C8 | C9 | H9B | 108.8° | 109.4° |
| C9 | O10 | C11 | 113.3° | 114.2° |
| O10 | C9 | H9A | 108.8° | 109.5° |
| O10 | C9 | H9B | 108.8° | 109.5° |
| O10 | C11 | C12 | 112.2° | 109.4° |
| O10 | C11 | H11A | 108.8° | 109.5° |
| O10 | C11 | H11B | 108.8° | 109.5° |
| C11 | C12 | C7 | 111.4° | 109.2° |
| C12 | C11 | H11A | 108.8° | 109.5° |
| C12 | C11 | H11B | 108.8° | 109.4° |
| C11 | C12 | H12A | 109.0° | 109.5° |
| C11 | C12 | H12B | 109.0° | 109.5° |
| O13 | C7 | C12 | 106.6° | 109.6° |
| C7 | O13 | H13 | 109.5° | 114.0° |
| C6 | S14 | C15 | 101.0° | 103.0° |
| S14 | C6 | H6 | 104.7° | 109.5° |
| S14 | C15 | C16 | 110.3° | 109.5° |
| S14 | C15 | O33 | 107.4° | 109.5° |
| S14 | C15 | H15 | 106.8° | 109.5° |
| C15 | C16 | C17 | 107.7° | 109.2° |
| C15 | C16 | O32 | 110.5° | 109.6° |
| C16 | C15 | O33 | 111.3° | 109.5° |
| C16 | C15 | H15 | 109.6° | 109.5° |
| C15 | C16 | H16 | 109.0° | 109.5° |
| C16 | C17 | N18 | 112.9° | 109.6° |
| C17 | C16 | O32 | 109.9° | 109.5° |
| C16 | C17 | C37 | 112.5° | 109.0° |
| C16 | C17 | H17 | 107.1° | 109.5° |
| C17 | C16 | H16 | 109.1° | 109.5° |
| C17 | N18 | N19 | 119.6° | 125.7° |
| N18 | C17 | C37 | 109.0° | 109.5° |
| C17 | N18 | C31 | 129.5° | 125.7° |
| N18 | C17 | H17 | 107.9° | 109.6° |
| N18 | N19 | N20 | 106.9° | 110.5° |
| N19 | N18 | C31 | 110.9° | 108.5° |
| N19 | N20 | C21 | 109.3° | 108.8° |
| N20 | C21 | C22 | 122.1° | 126.9° |
| N20 | C21 | C31 | 107.8° | 106.2° |
| C21 | C22 | C23 | 120.6° | 120.1° |
| C21 | C22 | C26 | 119.6° | 120.0° |
| C22 | C21 | C31 | 130.1° | 126.9° |
| C22 | C23 | C24 | 119.2° | 119.9° |
| C23 | C22 | C26 | 119.6° | 119.8° |
| C22 | C23 | H23 | 120.4° | 120.0° |
| C23 | C24 | F25 | 120.5° | 119.9° |
| C23 | C24 | C29 | 121.7° | 120.1° |
| C24 | C23 | H23 | 120.4° | 120.1° |
| F25 | C24 | C29 | 117.9° | 120.0° |
| C22 | C26 | C27 | 118.9° | 119.9° |
| C22 | C26 | H26 | 120.5° | 120.0° |
| C26 | C27 | F28 | 119.8° | 120.0° |
| C26 | C27 | C29 | 121.9° | 120.1° |
| C27 | C26 | H26 | 120.6° | 120.1° |
| F28 | C27 | C29 | 118.2° | 119.9° |
| C27 | C29 | F30 | 121.1° | 119.9° |
| C27 | C29 | C24 | 118.7° | 120.2° |
| F30 | C29 | C24 | 120.1° | 119.9° |
| C21 | C31 | N18 | 105.1° | 106.0° |
| C21 | C31 | H31 | 127.4° | 127.0° |
| O32 | C16 | H16 | 110.6° | 109.6° |
| C16 | O32 | H32 | 109.5° | 114.0° |
| C15 | O33 | C34 | 112.6° | 114.1° |
| O33 | C15 | H15 | 111.3° | 109.5° |
| O33 | C34 | C35 | 107.0° | 109.5° |
| O33 | C34 | C37 | 109.3° | 109.4° |
| O33 | C34 | H34 | 110.0° | 109.5° |
| C34 | C35 | O36 | 110.8° | 109.4° |
| C35 | C34 | C37 | 112.5° | 109.5° |
| C35 | C34 | H34 | 109.1° | 109.5° |
| C34 | C35 | H35A | 109.1° | 109.5° |
| C34 | C35 | H35B | 109.1° | 109.4° |
| O36 | C35 | H35A | 109.1° | 109.5° |
| O36 | C35 | H35B | 109.1° | 109.5° |
| C35 | O36 | H36 | 109.5° | 113.9° |
| C34 | C37 | O38 | 108.9° | 109.5° |
| C34 | C37 | C17 | 108.4° | 109.2° |
| C37 | C34 | H34 | 108.9° | 109.4° |
| C34 | C37 | H37 | 109.6° | 109.6° |
| O38 | C37 | C17 | 109.4° | 109.5° |
| O38 | C37 | H37 | 111.0° | 109.5° |
| C37 | O38 | H38 | 109.5° | 113.9° |
| C7 | C12 | H12A | 109.0° | 109.5° |
| C7 | C12 | H12B | 109.0° | 109.5° |
| C37 | C17 | H17 | 107.0° | 109.6° |
| C17 | C37 | H37 | 109.5° | 109.6° |
| N18 | C31 | H31 | 127.5° | 127.0° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4C | 109.4° | 109.5° |
| H4B | C4 | H4C | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1C | 109.4° | 109.5° |
| H1B | C1 | H1C | 109.5° | 109.4° |
| H2A | C2 | H2B | 109.4° | 109.4° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.6° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| 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 | 120.5° | 120.0° |
| C1 | C2 | N3 | H2B | 120.5° | 120.0° |
| C1 | C2 | N3 | C4 | 75.2° | 90.0° |
| C1 | C2 | N3 | C5 | 107.6° | 90.3° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C1 | C2 | H2A | H2B | 118.5° | 120.0° |
| C2 | N3 | C4 | C5 | 177.3° | 179.7° |
| C2 | N3 | C5 | C6 | 4.6° | 175.4° |
| C2 | N3 | C5 | O39 | 180.0° | 4.6° |
| C2 | N3 | C4 | H4A | 180.0° | 91.6° |
| C2 | N3 | C4 | H4B | 60.0° | 28.4° |
| C2 | N3 | C4 | H4C | 60.0° | 148.3° |
| N3 | C2 | C1 | H1A | 180.0° | 60.0° |
| N3 | C2 | C1 | H1B | 60.0° | 180.0° |
| N3 | C2 | C1 | H1C | 60.0° | 60.0° |
| N3 | C2 | H2A | H2B | 118.6° | 120.0° |
| C4 | N3 | C5 | C6 | 178.4° | 4.3° |
| C4 | N3 | C5 | O39 | 3.0° | 175.7° |
| N3 | C4 | H4A | H4B | 120.0° | 120.0° |
| N3 | C4 | H4A | H4C | 120.0° | 120.0° |
| N3 | C4 | H4B | H4C | 120.0° | 120.0° |
| C4 | N3 | C2 | H2A | 164.3° | 150.0° |
| C4 | N3 | C2 | H2B | 45.3° | 30.0° |
| N3 | C5 | C6 | O39 | 175.5° | 180.0° |
| N3 | C5 | C6 | C7 | 116.6° | 87.2° |
| N3 | C5 | C6 | S14 | 114.6° | 152.8° |
| C5 | N3 | C4 | H4A | 2.7° | 88.7° |
| C5 | N3 | C4 | H4B | 117.3° | 151.3° |
| C5 | N3 | C4 | H4C | 122.7° | 31.3° |
| N3 | C5 | C6 | H6 | 1.4° | 32.8° |
| C5 | N3 | C2 | H2A | 12.8° | 29.7° |
| C5 | N3 | C2 | H2B | 131.9° | 149.7° |
| C5 | C6 | C7 | S14 | 126.5° | 119.9° |
| C5 | C6 | C7 | H6 | 118.3° | 120.0° |
| C5 | C6 | C7 | C8 | 49.0° | 59.2° |
| C5 | C6 | C7 | O13 | 166.9° | 61.0° |
| C5 | C6 | S14 | H6 | 115.0° | 120.0° |
| C5 | C6 | S14 | C15 | 89.3° | 66.6° |
| C5 | C6 | C7 | C12 | 75.6° | 178.7° |
| C6 | C7 | C8 | O13 | 118.1° | 120.2° |
| C6 | C7 | C8 | C12 | 126.4° | 119.9° |
| C6 | C7 | C8 | C9 | 177.4° | 176.8° |
| C6 | C7 | C12 | C11 | 176.4° | 176.9° |
| C6 | C7 | O13 | C12 | 121.6° | 120.2° |
| C7 | C6 | S14 | H6 | 116.5° | 120.0° |
| C7 | C6 | S14 | C15 | 142.2° | 173.4° |
| C7 | C6 | C5 | O39 | 58.9° | 92.7° |
| C6 | C7 | C8 | H8A | 57.1° | 56.9° |
| C6 | C7 | C8 | H8B | 62.3° | 63.2° |
| C6 | C7 | C12 | H12A | 56.1° | 63.2° |
| C6 | C7 | C12 | H12B | 63.3° | 56.9° |
| C6 | C7 | O13 | H13 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8A | 120.3° | 120.0° |
| C7 | C8 | C9 | H8B | 120.3° | 119.9° |
| C7 | C8 | C9 | O10 | 54.4° | 57.6° |
| C8 | C7 | C12 | C11 | 50.6° | 57.0° |
| C8 | C7 | O13 | C12 | 117.6° | 119.6° |
| C8 | C7 | C6 | S14 | 175.5° | 60.8° |
| C8 | C7 | C6 | H6 | 69.3° | 179.2° |
| C7 | C8 | H8A | H8B | 119.0° | 120.2° |
| C7 | C8 | C9 | H9A | 174.8° | 177.6° |
| C7 | C8 | C9 | H9B | 66.0° | 62.4° |
| C8 | C7 | C12 | H12A | 69.7° | 176.9° |
| C8 | C7 | C12 | H12B | 170.9° | 63.0° |
| C8 | C7 | O13 | H13 | 59.2° | 59.9° |
| C8 | C9 | O10 | H9A | 120.4° | 120.0° |
| C8 | C9 | O10 | H9B | 120.4° | 119.9° |
| C8 | C9 | O10 | C11 | 57.4° | 61.1° |
| C9 | C8 | C7 | O13 | 64.5° | 63.0° |
| C9 | C8 | C7 | C12 | 51.0° | 57.0° |
| C9 | C8 | H8A | H8B | 119.0° | 120.1° |
| C8 | C9 | H9A | H9B | 118.9° | 120.0° |
| C9 | O10 | C11 | C12 | 57.3° | 61.1° |
| O10 | C9 | C8 | H8A | 65.9° | 62.4° |
| O10 | C9 | C8 | H8B | 174.7° | 177.5° |
| O10 | C9 | H9A | H9B | 118.8° | 120.0° |
| C9 | O10 | C11 | H11A | 177.7° | 178.9° |
| C9 | O10 | C11 | H11B | 63.1° | 58.7° |
| O10 | C11 | C12 | H11A | 120.4° | 120.0° |
| O10 | C11 | C12 | H11B | 120.4° | 119.9° |
| O10 | C11 | C12 | C7 | 53.7° | 57.6° |
| C11 | O10 | C9 | H9A | 177.7° | 178.8° |
| C11 | O10 | C9 | H9B | 63.0° | 58.8° |
| O10 | C11 | H11A | H11B | 118.8° | 120.1° |
| O10 | C11 | C12 | H12A | 66.6° | 177.5° |
| O10 | C11 | C12 | H12B | 174.0° | 62.4° |
| C11 | C12 | C7 | O13 | 65.5° | 62.9° |
| C11 | C12 | C7 | H12A | 120.3° | 119.9° |
| C11 | C12 | C7 | H12B | 120.3° | 119.9° |
| C12 | C11 | H11A | H11B | 118.8° | 120.0° |
| C11 | C12 | H12A | H12B | 119.1° | 120.1° |
| O13 | C7 | C6 | S14 | 66.5° | 179.0° |
| O13 | C7 | C6 | H6 | 48.6° | 59.0° |
| O13 | C7 | C8 | H8A | 175.1° | 177.1° |
| O13 | C7 | C8 | H8B | 55.8° | 56.9° |
| O13 | C7 | C12 | H12A | 174.3° | 57.0° |
| O13 | C7 | C12 | H12B | 54.8° | 177.1° |
| C6 | S14 | C15 | C16 | 173.7° | 177.9° |
| C6 | S14 | C15 | O33 | 52.3° | 62.1° |
| S14 | C6 | C5 | O39 | 69.9° | 27.2° |
| S14 | C6 | C7 | C12 | 50.9° | 58.8° |
| C6 | S14 | C15 | H15 | 67.2° | 57.9° |
| S14 | C15 | C16 | O33 | 119.1° | 120.0° |
| S14 | C15 | C16 | H15 | 117.3° | 120.0° |
| S14 | C15 | C16 | C17 | 174.3° | 177.6° |
| S14 | C15 | C16 | O32 | 65.6° | 62.5° |
| S14 | C15 | O33 | H15 | 116.6° | 120.0° |
| S14 | C15 | O33 | C34 | 177.1° | 178.9° |
| C15 | S14 | C6 | H6 | 25.7° | 53.4° |
| S14 | C15 | C16 | H16 | 56.1° | 57.7° |
| C15 | C16 | C17 | O32 | 120.5° | 119.9° |
| C15 | C16 | C17 | H16 | 118.1° | 119.9° |
| C15 | C16 | C17 | N18 | 177.5° | 176.8° |
| C15 | C16 | O32 | H16 | 120.7° | 120.2° |
| C16 | C15 | O33 | H15 | 122.6° | 120.0° |
| C16 | C15 | O33 | C34 | 62.1° | 61.1° |
| C15 | C16 | C17 | C37 | 53.5° | 57.0° |
| C15 | C16 | C17 | H17 | 63.8° | 63.0° |
| C15 | C16 | O32 | H32 | 180.0° | 60.0° |
| C16 | C17 | N18 | C37 | 125.9° | 119.6° |
| C16 | C17 | N18 | H17 | 118.2° | 120.2° |
| C16 | C17 | N18 | N19 | 119.2° | 145.1° |
| C17 | C16 | O32 | H16 | 120.6° | 120.1° |
| C17 | C16 | C15 | O33 | 55.2° | 57.6° |
| C16 | C17 | C37 | C34 | 55.8° | 56.9° |
| C16 | C17 | C37 | O38 | 62.8° | 62.9° |
| C16 | C17 | C37 | H17 | 117.4° | 119.9° |
| C16 | C17 | N18 | C31 | 63.0° | 34.9° |
| C17 | C16 | C15 | H15 | 68.3° | 62.4° |
| C17 | C16 | O32 | H32 | 61.3° | 179.7° |
| C16 | C17 | C37 | H37 | 175.4° | 176.9° |
| C17 | N18 | N19 | C31 | 178.2° | 180.0° |
| C17 | N18 | N19 | N20 | 178.9° | 180.0° |
| C17 | N18 | C31 | C21 | 178.7° | 179.8° |
| N18 | C17 | C16 | O32 | 62.1° | 63.2° |
| N18 | C17 | C37 | C34 | 178.1° | 176.8° |
| N18 | C17 | C37 | O38 | 63.3° | 57.0° |
| N18 | C17 | C37 | H17 | 116.5° | 120.2° |
| N18 | C17 | C16 | H16 | 59.4° | 56.9° |
| C17 | N18 | C31 | H31 | 1.3° | 0.2° |
| N18 | C17 | C37 | H37 | 58.5° | 63.2° |
| N18 | N19 | N20 | C21 | 0.3° | 0.2° |
| N19 | N18 | C31 | C21 | 0.8° | 0.2° |
| N19 | N18 | C17 | C37 | 114.9° | 95.3° |
| N19 | N18 | C17 | H17 | 1.0° | 24.9° |
| N19 | N18 | C31 | H31 | 179.2° | 179.8° |
| N19 | N20 | C21 | C22 | 178.9° | 180.0° |
| N19 | N20 | C21 | C31 | 0.2° | 0.3° |
| N20 | N19 | N18 | C31 | 0.7° | 0.0° |
| N20 | C21 | C22 | C31 | 178.4° | 179.6° |
| N20 | C21 | C22 | C23 | 12.7° | 0.4° |
| N20 | C21 | C22 | C26 | 161.9° | 179.4° |
| N20 | C21 | C31 | N18 | 0.6° | 0.3° |
| N20 | C21 | C31 | H31 | 179.4° | 179.7° |
| C21 | C22 | C23 | C26 | 174.6° | 179.7° |
| C21 | C22 | C23 | C24 | 177.0° | 180.0° |
| C21 | C22 | C26 | C27 | 176.8° | 180.0° |
| C22 | C21 | C31 | N18 | 179.1° | 180.0° |
| C21 | C22 | C26 | H26 | 3.2° | 0.0° |
| C21 | C22 | C23 | H23 | 3.0° | 0.0° |
| C22 | C21 | C31 | H31 | 0.9° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | F25 | 179.3° | 180.0° |
| C23 | C22 | C26 | C27 | 2.1° | 0.3° |
| C23 | C22 | C21 | C31 | 168.9° | 180.0° |
| C22 | C23 | C24 | C29 | 1.2° | 0.0° |
| C23 | C22 | C26 | H26 | 177.9° | 179.7° |
| C23 | C24 | F25 | C29 | 179.4° | 179.9° |
| C24 | C23 | C22 | C26 | 2.4° | 0.2° |
| C23 | C24 | C29 | C27 | 0.3° | 0.3° |
| C23 | C24 | C29 | F30 | 179.9° | 180.0° |
| F25 | C24 | C29 | C27 | 179.2° | 179.8° |
| F25 | C24 | C29 | F30 | 0.7° | 0.0° |
| F25 | C24 | C23 | H23 | 0.7° | 0.1° |
| C22 | C26 | C27 | H26 | 180.0° | 180.0° |
| C22 | C26 | C27 | F28 | 178.8° | 180.0° |
| C22 | C26 | C27 | C29 | 0.6° | 0.0° |
| C26 | C22 | C21 | C31 | 16.5° | 0.2° |
| C26 | C22 | C23 | H23 | 177.6° | 179.7° |
| C26 | C27 | F28 | C29 | 179.4° | 180.0° |
| C26 | C27 | C29 | F30 | 179.6° | 180.0° |
| C26 | C27 | C29 | C24 | 0.6° | 0.3° |
| F28 | C27 | C29 | F30 | 0.1° | 0.0° |
| F28 | C27 | C29 | C24 | 180.0° | 179.7° |
| F28 | C27 | C26 | H26 | 1.2° | 0.0° |
| C27 | C29 | F30 | C24 | 179.8° | 179.7° |
| C29 | C27 | C26 | H26 | 179.4° | 180.0° |
| C21 | C31 | N18 | H31 | 180.0° | 180.0° |
| O32 | C16 | C15 | O33 | 175.3° | 177.5° |
| O32 | C16 | C17 | C37 | 174.0° | 176.9° |
| O32 | C16 | C15 | H15 | 51.8° | 57.5° |
| O32 | C16 | C17 | H17 | 56.6° | 57.0° |
| C15 | O33 | C34 | C35 | 174.9° | 178.9° |
| C15 | O33 | C34 | C37 | 63.0° | 61.1° |
| O33 | C15 | C16 | H16 | 63.0° | 62.3° |
| C15 | O33 | C34 | H34 | 56.5° | 58.8° |
| O33 | C34 | C35 | C37 | 120.0° | 120.0° |
| O33 | C34 | C35 | H34 | 118.9° | 120.1° |
| O33 | C34 | C35 | O36 | 61.3° | 65.4° |
| O33 | C34 | C37 | H34 | 120.2° | 120.0° |
| O33 | C34 | C37 | O38 | 61.2° | 62.3° |
| O33 | C34 | C37 | C17 | 57.8° | 57.6° |
| C34 | O33 | C15 | H15 | 60.5° | 58.9° |
| O33 | C34 | C35 | H35A | 178.6° | 174.6° |
| O33 | C34 | C35 | H35B | 58.9° | 54.5° |
| O33 | C34 | C37 | H37 | 177.3° | 177.6° |
| C34 | C35 | O36 | H35A | 120.2° | 120.0° |
| C34 | C35 | O36 | H35B | 120.2° | 119.9° |
| C35 | C34 | C37 | H34 | 121.1° | 120.0° |
| C35 | C34 | C37 | O38 | 57.6° | 57.7° |
| C35 | C34 | C37 | C17 | 176.5° | 177.6° |
| C34 | C35 | H35A | H35B | 119.4° | 120.0° |
| C34 | C35 | O36 | H36 | 180.0° | 175.0° |
| C35 | C34 | C37 | H37 | 64.0° | 62.4° |
| O36 | C35 | C34 | C37 | 178.7° | 174.6° |
| O36 | C35 | C34 | H34 | 57.7° | 54.6° |
| O36 | C35 | H35A | H35B | 119.4° | 120.0° |
| C34 | C37 | O38 | C17 | 118.3° | 119.7° |
| C34 | C37 | O38 | H37 | 120.8° | 120.1° |
| C34 | C37 | C17 | H37 | 119.5° | 120.0° |
| C34 | C37 | C17 | H17 | 61.6° | 63.0° |
| C37 | C34 | C35 | H35A | 58.5° | 54.6° |
| C37 | C34 | C35 | H35B | 61.1° | 65.5° |
| C34 | C37 | O38 | H38 | 180.0° | 60.0° |
| O38 | C37 | C17 | H37 | 121.8° | 120.2° |
| O38 | C37 | C17 | H17 | 179.8° | 177.2° |
| O38 | C37 | C34 | H34 | 178.7° | 177.7° |
| O39 | C5 | C6 | H6 | 176.9° | 147.2° |
| C12 | C7 | C6 | H6 | 166.1° | 61.3° |
| C12 | C7 | C8 | H8A | 69.4° | 63.0° |
| C12 | C7 | C8 | H8B | 171.3° | 176.9° |
| C7 | C12 | C11 | H11A | 174.2° | 177.6° |
| C7 | C12 | C11 | H11B | 66.6° | 62.3° |
| C7 | C12 | H12A | H12B | 119.1° | 120.2° |
| C12 | C7 | O13 | H13 | 58.4° | 59.7° |
| C37 | C17 | N18 | C31 | 62.9° | 84.7° |
| C37 | C17 | C16 | H16 | 64.6° | 62.9° |
| C17 | C37 | C34 | H34 | 62.3° | 62.4° |
| C17 | C37 | O38 | H38 | 61.7° | 179.7° |
| C31 | N18 | C17 | H17 | 178.8° | 155.1° |
| C29 | C24 | C23 | H23 | 178.7° | 180.0° |
| H4A | C4 | H4B | H4C | 120.0° | 120.0° |
| H8A | C8 | C9 | H9A | 54.5° | 57.6° |
| H8A | C8 | C9 | H9B | 173.7° | 177.7° |
| H8B | C8 | C9 | H9A | 64.9° | 62.5° |
| H8B | C8 | C9 | H9B | 54.4° | 57.6° |
| H15 | C15 | C16 | H16 | 173.5° | 177.7° |
| H17 | C17 | C16 | H16 | 178.1° | 177.1° |
| H17 | C17 | C37 | H37 | 58.0° | 57.0° |
| H1A | C1 | H1B | H1C | 120.0° | 120.0° |
| H1A | C1 | C2 | H2A | 59.6° | 60.0° |
| H1A | C1 | C2 | H2B | 59.5° | 180.0° |
| H1B | C1 | C2 | H2A | 60.5° | 60.0° |
| H1B | C1 | C2 | H2B | 179.5° | 60.0° |
| H1C | C1 | C2 | H2A | 179.5° | 180.0° |
| H1C | C1 | C2 | H2B | 60.5° | 60.0° |
| H11A | C11 | C12 | H12A | 53.9° | 62.5° |
| H11A | C11 | C12 | H12B | 65.6° | 57.6° |
| H11B | C11 | C12 | H12A | 173.1° | 57.6° |
| H11B | C11 | C12 | H12B | 53.6° | 177.7° |
| H16 | C16 | O32 | H32 | 59.3° | 60.2° |
| H34 | C34 | C35 | H35A | 62.5° | 65.4° |
| H34 | C34 | C35 | H35B | 177.9° | 174.6° |
| H34 | C34 | C37 | H37 | 57.1° | 57.6° |
| H35A | C35 | O36 | H36 | 59.8° | 65.0° |
| H35B | C35 | O36 | H36 | 59.8° | 55.1° |
| H37 | C37 | O38 | H38 | 59.2° | 60.1° |
