A1EMZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.36Å | 1.36Å | |
| N3 | C4 | sing | 1.48Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C6 | O7 | sing | 1.43Å | 1.43Å | |
| C6 | C8 | sing | 1.57Å | 1.55Å | |
| C8 | N9 | sing | 1.49Å | 1.47Å | |
| N9 | C10 | sing | 1.47Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | doub | 1.31Å | 1.30Å | |
| N9 | C15 | sing | 1.43Å | 1.41Å | |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | N22 | sing | 1.36Å | 1.39Å | |
| N22 | C23 | sing | 1.39Å | 1.33Å | |
| C23 | C24 | doub | 1.32Å | 1.32Å | |
| C24 | C25 | sing | 1.50Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| N22 | C28 | sing | 1.40Å | 1.39Å | |
| C28 | C29 | doub | 1.31Å | 1.32Å | |
| C29 | C30 | sing | 1.45Å | 1.43Å | |
| C30 | C31 | doub | 1.36Å | 1.40Å | Aromatic |
| C31 | N32 | sing | 1.37Å | 1.37Å | Aromatic |
| N32 | C33 | sing | 1.36Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.41Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | O39 | doub | 1.21Å | 1.21Å | |
| C28 | C2 | sing | 1.50Å | 1.46Å | |
| C8 | N3 | sing | 1.46Å | 1.47Å | |
| C16 | C6 | sing | 1.50Å | 1.51Å | |
| C20 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C25 | sing | 1.50Å | 1.52Å | |
| C34 | C30 | sing | 1.47Å | 1.44Å | Aromatic |
| C38 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12C | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14B | sing | 1.08Å | 1.08Å | |
| C14 | H14A | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26C | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27C | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | N3 | 122.7° | 124.6° |
| O1 | C2 | C28 | 122.9° | 124.6° |
| C2 | N3 | C4 | 119.0° | 120.5° |
| N3 | C2 | C28 | 114.3° | 110.8° |
| C2 | N3 | C8 | 127.3° | 129.6° |
| N3 | C4 | C5 | 104.5° | 106.1° |
| N3 | C4 | C21 | 106.8° | 107.4° |
| C4 | N3 | C8 | 113.5° | 109.9° |
| N3 | C4 | H4 | 110.2° | 110.7° |
| C4 | C5 | C6 | 104.7° | 101.7° |
| C5 | C4 | C21 | 116.5° | 112.6° |
| C5 | C4 | H4 | 109.2° | 110.0° |
| C4 | C5 | H5B | 110.7° | 111.0° |
| C4 | C5 | H5A | 110.6° | 111.0° |
| C5 | C6 | O7 | 111.7° | 113.7° |
| C5 | C6 | C8 | 104.1° | 102.0° |
| C5 | C6 | C16 | 115.2° | 109.5° |
| C6 | C5 | H5B | 110.6° | 111.0° |
| C6 | C5 | H5A | 110.6° | 111.0° |
| O7 | C6 | C8 | 111.6° | 114.1° |
| O7 | C6 | C16 | 112.6° | 113.7° |
| C6 | O7 | H7 | 109.5° | 114.0° |
| C6 | C8 | N9 | 101.5° | 101.6° |
| C6 | C8 | N3 | 102.6° | 105.3° |
| C8 | C6 | C16 | 100.8° | 102.8° |
| C6 | C8 | H8 | 110.9° | 113.0° |
| C8 | N9 | C10 | 127.7° | 111.0° |
| C8 | N9 | C15 | 107.0° | 106.7° |
| N9 | C8 | N3 | 116.5° | 110.1° |
| N9 | C8 | H8 | 112.1° | 112.8° |
| N9 | C10 | C11 | 109.3° | 109.5° |
| N9 | C10 | C12 | 109.1° | 109.5° |
| N9 | C10 | C13 | 114.5° | 109.5° |
| C10 | N9 | C15 | 124.4° | 111.6° |
| C11 | C10 | C12 | 109.4° | 109.4° |
| C11 | C10 | C13 | 106.8° | 109.5° |
| C10 | C11 | H11C | 109.5° | 109.6° |
| C10 | C11 | H11A | 109.4° | 109.4° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| C12 | C10 | C13 | 107.6° | 109.5° |
| C10 | C12 | H12C | 109.5° | 109.5° |
| C10 | C12 | H12B | 109.5° | 109.4° |
| C10 | C12 | H12A | 109.5° | 109.5° |
| C10 | C13 | C14 | 126.0° | 119.9° |
| C10 | C13 | H13 | 117.0° | 120.0° |
| C14 | C13 | H13 | 117.0° | 120.0° |
| C13 | C14 | H14B | 120.0° | 119.9° |
| C13 | C14 | H14A | 120.0° | 120.0° |
| N9 | C15 | C16 | 108.2° | 110.4° |
| N9 | C15 | C20 | 130.7° | 129.3° |
| C15 | C16 | C17 | 120.1° | 122.0° |
| C15 | C16 | C6 | 109.7° | 108.1° |
| C16 | C15 | C20 | 121.1° | 120.2° |
| C16 | C17 | C18 | 119.0° | 117.1° |
| C17 | C16 | C6 | 130.2° | 129.9° |
| C16 | C17 | H17 | 120.5° | 121.5° |
| C17 | C18 | C19 | 120.6° | 121.3° |
| C18 | C17 | H17 | 120.5° | 121.4° |
| C17 | C18 | H18 | 119.7° | 119.4° |
| C18 | C19 | C20 | 120.8° | 121.9° |
| C19 | C18 | H18 | 119.7° | 119.3° |
| C18 | C19 | H19 | 119.6° | 119.1° |
| C19 | C20 | C15 | 118.3° | 117.4° |
| C20 | C19 | H19 | 119.6° | 119.0° |
| C19 | C20 | H20 | 120.8° | 121.3° |
| C4 | C21 | N22 | 114.6° | 115.1° |
| C4 | C21 | O39 | 122.8° | 122.4° |
| C21 | C4 | H4 | 109.4° | 110.0° |
| C21 | N22 | C23 | 115.2° | 120.8° |
| C21 | N22 | C28 | 120.6° | 117.3° |
| N22 | C21 | O39 | 122.5° | 122.4° |
| N22 | C23 | C24 | 125.4° | 118.4° |
| C23 | N22 | C28 | 124.2° | 121.8° |
| N22 | C23 | H23 | 117.3° | 120.8° |
| C23 | C24 | C25 | 132.1° | 118.5° |
| C24 | C23 | H23 | 117.3° | 120.8° |
| C23 | C24 | H24 | 113.9° | 120.7° |
| C24 | C25 | C26 | 111.5° | 109.4° |
| C24 | C25 | C27 | 109.5° | 109.4° |
| C24 | C25 | C31 | 109.9° | 110.0° |
| C25 | C24 | H24 | 113.9° | 120.7° |
| C26 | C25 | C27 | 103.7° | 109.4° |
| C26 | C25 | C31 | 112.1° | 109.4° |
| C25 | C26 | H26C | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.5° |
| C27 | C25 | C31 | 109.9° | 109.3° |
| C25 | C27 | H27C | 109.5° | 109.5° |
| C25 | C27 | H27B | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.5° |
| N22 | C28 | C29 | 132.1° | 128.1° |
| N22 | C28 | C2 | 115.9° | 113.3° |
| C28 | C29 | C30 | 136.3° | 133.8° |
| C29 | C28 | C2 | 112.0° | 118.6° |
| C28 | C29 | H29 | 111.8° | 113.1° |
| C29 | C30 | C31 | 129.7° | 129.5° |
| C29 | C30 | C34 | 123.5° | 124.7° |
| C30 | C29 | H29 | 111.9° | 113.1° |
| C30 | C31 | N32 | 108.6° | 109.8° |
| C30 | C31 | C25 | 133.2° | 126.5° |
| C31 | C30 | C34 | 106.9° | 105.9° |
| C31 | N32 | C33 | 109.7° | 110.6° |
| N32 | C31 | C25 | 118.2° | 123.7° |
| C31 | N32 | H32 | 125.2° | 124.8° |
| N32 | C33 | C34 | 108.3° | 107.2° |
| N32 | C33 | C38 | 129.9° | 132.0° |
| C33 | N32 | H32 | 125.1° | 124.6° |
| C33 | C34 | C35 | 118.5° | 121.7° |
| C33 | C34 | C30 | 106.6° | 106.5° |
| C34 | C33 | C38 | 121.8° | 120.7° |
| C34 | C35 | C36 | 119.9° | 116.6° |
| C35 | C34 | C30 | 134.9° | 131.9° |
| C34 | C35 | H35 | 120.1° | 121.7° |
| C35 | C36 | C37 | 120.8° | 121.7° |
| C36 | C35 | H35 | 120.1° | 121.7° |
| C35 | C36 | H36 | 119.6° | 119.1° |
| C36 | C37 | C38 | 120.7° | 122.4° |
| C37 | C36 | H36 | 119.6° | 119.1° |
| C36 | C37 | H37 | 119.7° | 118.8° |
| C37 | C38 | C33 | 118.4° | 116.8° |
| C38 | C37 | H37 | 119.6° | 118.8° |
| C37 | C38 | H38 | 120.8° | 121.6° |
| N3 | C8 | H8 | 112.1° | 113.2° |
| C15 | C20 | H20 | 120.9° | 121.3° |
| C33 | C38 | H38 | 120.8° | 121.6° |
| H5B | C5 | H5A | 109.5° | 110.9° |
| H11C | C11 | H11A | 109.5° | 109.4° |
| H11C | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.4° |
| H12C | C12 | H12B | 109.5° | 109.5° |
| H12C | C12 | H12A | 109.5° | 109.5° |
| H12B | C12 | H12A | 109.4° | 109.5° |
| H14B | C14 | H14A | 120.0° | 120.0° |
| H26C | C26 | H26A | 109.5° | 109.4° |
| H26C | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.4° | 109.5° |
| H27C | C27 | H27B | 109.5° | 109.4° |
| H27C | C27 | H27A | 109.5° | 109.4° |
| H27B | C27 | H27A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | C28 | 178.2° | 179.8° |
| O1 | C2 | N3 | C4 | 152.2° | 179.1° |
| O1 | C2 | C28 | N22 | 160.3° | 133.5° |
| O1 | C2 | C28 | C29 | 21.5° | 46.3° |
| O1 | C2 | N3 | C8 | 32.6° | 2.7° |
| C2 | N3 | C4 | C8 | 175.8° | 178.5° |
| C2 | N3 | C4 | C5 | 179.8° | 165.4° |
| C2 | N3 | C8 | C6 | 159.4° | 169.9° |
| C2 | N3 | C8 | N9 | 49.5° | 81.3° |
| C2 | N3 | C4 | C21 | 55.8° | 44.8° |
| N3 | C2 | C28 | N22 | 21.5° | 46.3° |
| N3 | C2 | C28 | C29 | 156.6° | 133.9° |
| C2 | N3 | C4 | H4 | 63.0° | 75.3° |
| C2 | N3 | C8 | H8 | 81.6° | 46.0° |
| N3 | C4 | C5 | C21 | 117.6° | 117.2° |
| N3 | C4 | C5 | H4 | 117.8° | 119.7° |
| N3 | C4 | C5 | C6 | 22.7° | 32.2° |
| C4 | N3 | C8 | C6 | 16.0° | 11.7° |
| C4 | N3 | C8 | N9 | 125.9° | 97.0° |
| N3 | C4 | C21 | H4 | 119.2° | 120.5° |
| N3 | C4 | C21 | N22 | 38.7° | 44.8° |
| N3 | C4 | C21 | O39 | 139.6° | 135.3° |
| C4 | N3 | C2 | C28 | 26.0° | 1.1° |
| N3 | C4 | C5 | H5B | 142.0° | 86.0° |
| N3 | C4 | C5 | H5A | 96.5° | 150.3° |
| C4 | N3 | C8 | H8 | 103.0° | 135.6° |
| C4 | C5 | C6 | H5B | 119.3° | 118.1° |
| C4 | C5 | C6 | H5A | 119.2° | 118.1° |
| C4 | C5 | C6 | O7 | 153.0° | 85.1° |
| C4 | C5 | C6 | C8 | 32.4° | 38.1° |
| C5 | C4 | C21 | H4 | 124.5° | 123.1° |
| C5 | C4 | C21 | N22 | 155.0° | 161.2° |
| C5 | C4 | C21 | O39 | 23.3° | 18.9° |
| C5 | C4 | N3 | C8 | 4.0° | 13.1° |
| C4 | C5 | C6 | C16 | 77.0° | 146.5° |
| C4 | C5 | H5B | H5A | 122.2° | 123.8° |
| C5 | C6 | O7 | C8 | 116.1° | 116.4° |
| C5 | C6 | O7 | C16 | 131.4° | 126.2° |
| C5 | C6 | C8 | C16 | 119.7° | 113.5° |
| C5 | C6 | C8 | N9 | 150.1° | 83.5° |
| C5 | C6 | C16 | C15 | 127.5° | 88.9° |
| C5 | C6 | C16 | C17 | 49.8° | 91.1° |
| C6 | C5 | C4 | C21 | 94.9° | 149.4° |
| C5 | C6 | C8 | N3 | 29.3° | 31.3° |
| C6 | C5 | C4 | H4 | 140.5° | 87.5° |
| C6 | C5 | H5B | H5A | 122.2° | 123.8° |
| C5 | C6 | C8 | H8 | 90.6° | 155.4° |
| C5 | C6 | O7 | H7 | 180.0° | 61.0° |
| O7 | C6 | C8 | C16 | 119.7° | 123.5° |
| O7 | C6 | C8 | N9 | 89.3° | 153.5° |
| O7 | C6 | C16 | C15 | 102.9° | 142.8° |
| O7 | C6 | C16 | C17 | 79.8° | 37.2° |
| O7 | C6 | C8 | N3 | 149.9° | 91.7° |
| O7 | C6 | C5 | H5B | 87.8° | 156.8° |
| O7 | C6 | C5 | H5A | 33.8° | 33.0° |
| O7 | C6 | C8 | H8 | 30.0° | 32.4° |
| C6 | C8 | N9 | N3 | 110.5° | 111.2° |
| C6 | C8 | N9 | H8 | 118.4° | 121.3° |
| C6 | C8 | N9 | C10 | 133.8° | 152.9° |
| C6 | C8 | N9 | C15 | 35.9° | 31.1° |
| C8 | C6 | C16 | C15 | 16.1° | 19.0° |
| C8 | C6 | C16 | C17 | 161.1° | 161.0° |
| C6 | C8 | N3 | H8 | 119.0° | 123.9° |
| C8 | C6 | C5 | H5B | 151.7° | 80.0° |
| C8 | C6 | C5 | H5A | 86.8° | 156.2° |
| C8 | C6 | O7 | H7 | 63.9° | 177.4° |
| C8 | N9 | C10 | C15 | 168.1° | 118.8° |
| C8 | N9 | C10 | C11 | 21.0° | 62.9° |
| C8 | N9 | C10 | C12 | 98.7° | 57.1° |
| C8 | N9 | C10 | C13 | 140.7° | 177.1° |
| C8 | N9 | C15 | C16 | 27.0° | 20.9° |
| N9 | C8 | N3 | H8 | 131.1° | 127.3° |
| N9 | C8 | C6 | C16 | 30.5° | 30.0° |
| C8 | N9 | C15 | C20 | 153.7° | 159.5° |
| N9 | C10 | C11 | C12 | 119.4° | 120.0° |
| N9 | C10 | C11 | C13 | 124.3° | 120.1° |
| N9 | C10 | C12 | C13 | 124.8° | 120.1° |
| N9 | C10 | C13 | C14 | 115.3° | 31.7° |
| C10 | N9 | C15 | C16 | 143.2° | 142.3° |
| C10 | N9 | C8 | N3 | 115.6° | 96.0° |
| C10 | N9 | C15 | C20 | 36.1° | 38.1° |
| C10 | N9 | C8 | H8 | 15.5° | 31.6° |
| N9 | C10 | C11 | H11C | 180.0° | 95.1° |
| N9 | C10 | C11 | H11A | 60.0° | 24.9° |
| N9 | C10 | C11 | H11B | 60.0° | 144.8° |
| N9 | C10 | C12 | H12C | 180.0° | 178.8° |
| N9 | C10 | C12 | H12B | 60.0° | 58.8° |
| N9 | C10 | C12 | H12A | 60.0° | 61.2° |
| N9 | C10 | C13 | H13 | 64.7° | 148.3° |
| C11 | C10 | C12 | C13 | 115.7° | 120.0° |
| C11 | C10 | C13 | C14 | 123.6° | 88.3° |
| C11 | C10 | N9 | C15 | 170.9° | 178.3° |
| C10 | C11 | H11C | H11A | 120.0° | 120.0° |
| C10 | C11 | H11C | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 119.9° |
| C11 | C10 | C12 | H12C | 60.5° | 61.2° |
| C11 | C10 | C12 | H12B | 179.5° | 178.8° |
| C11 | C10 | C12 | H12A | 59.5° | 58.8° |
| C11 | C10 | C13 | H13 | 56.4° | 91.7° |
| C12 | C10 | C13 | C14 | 6.1° | 151.8° |
| C12 | C10 | N9 | C15 | 69.5° | 61.8° |
| C12 | C10 | C11 | H11C | 60.5° | 24.9° |
| C12 | C10 | C11 | H11A | 59.4° | 144.9° |
| C12 | C10 | C11 | H11B | 179.5° | 95.2° |
| C10 | C12 | H12C | H12B | 120.0° | 120.0° |
| C10 | C12 | H12C | H12A | 120.0° | 120.0° |
| C10 | C12 | H12B | H12A | 120.0° | 120.0° |
| C12 | C10 | C13 | H13 | 173.8° | 28.3° |
| C10 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C10 | N9 | C15 | 51.2° | 58.3° |
| C13 | C10 | C11 | H11C | 55.7° | 144.8° |
| C13 | C10 | C11 | H11A | 175.6° | 95.2° |
| C13 | C10 | C11 | H11B | 64.3° | 24.8° |
| C13 | C10 | C12 | H12C | 55.2° | 58.7° |
| C13 | C10 | C12 | H12B | 64.8° | 61.2° |
| C13 | C10 | C12 | H12A | 175.3° | 178.7° |
| C10 | C13 | C14 | H14B | 180.0° | 179.4° |
| C10 | C13 | C14 | H14A | 0.0° | 0.7° |
| C13 | C14 | H14B | H14A | 180.0° | 179.9° |
| N9 | C15 | C16 | C20 | 179.4° | 179.7° |
| N9 | C15 | C16 | C17 | 176.8° | 179.7° |
| N9 | C15 | C20 | C19 | 177.2° | 179.5° |
| C15 | N9 | C8 | N3 | 74.6° | 142.3° |
| N9 | C15 | C16 | C6 | 5.6° | 0.3° |
| C15 | N9 | C8 | H8 | 154.3° | 90.1° |
| N9 | C15 | C20 | H20 | 2.8° | 0.4° |
| C15 | C16 | C17 | C6 | 177.0° | 180.0° |
| C15 | C16 | C17 | C18 | 2.0° | 0.0° |
| C16 | C15 | C20 | C19 | 2.1° | 0.1° |
| C15 | C16 | C17 | H17 | 178.0° | 180.0° |
| C16 | C15 | C20 | H20 | 177.9° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.8° | 0.1° |
| C17 | C16 | C15 | C20 | 2.6° | 0.0° |
| C16 | C17 | C18 | H18 | 179.2° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.3° | 0.2° |
| C18 | C17 | C16 | C6 | 175.1° | 180.0° |
| C17 | C18 | C19 | H19 | 179.7° | 179.8° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.9° | 0.2° |
| C19 | C18 | C17 | H17 | 179.2° | 179.9° |
| C18 | C19 | C20 | H20 | 179.1° | 179.8° |
| C19 | C20 | C15 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.7° | 179.8° |
| C4 | C21 | N22 | O39 | 178.4° | 179.9° |
| C4 | C21 | N22 | C23 | 177.1° | 177.8° |
| C4 | C21 | N22 | C28 | 4.1° | 1.2° |
| C21 | C4 | N3 | C8 | 120.0° | 133.7° |
| C21 | C4 | C5 | H5B | 24.4° | 31.2° |
| C21 | C4 | C5 | H5A | 145.9° | 92.6° |
| C21 | N22 | C23 | C28 | 178.7° | 176.4° |
| C21 | N22 | C23 | C24 | 104.7° | 97.4° |
| C21 | N22 | C28 | C29 | 140.8° | 133.5° |
| C21 | N22 | C28 | C2 | 36.9° | 46.8° |
| N22 | C21 | C4 | H4 | 80.5° | 75.7° |
| C21 | N22 | C23 | H23 | 75.3° | 82.6° |
| N22 | C23 | C24 | H23 | 180.0° | 180.0° |
| N22 | C23 | C24 | C25 | 8.5° | 0.4° |
| C23 | N22 | C28 | C29 | 37.9° | 50.0° |
| C23 | N22 | C21 | O39 | 1.3° | 2.3° |
| C23 | N22 | C28 | C2 | 144.4° | 129.8° |
| N22 | C23 | C24 | H24 | 171.5° | 179.6° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 57.4° | 30.8° |
| C23 | C24 | C25 | C27 | 171.6° | 150.6° |
| C24 | C23 | N22 | C28 | 74.0° | 86.2° |
| C23 | C24 | C25 | C31 | 67.5° | 89.4° |
| C24 | C25 | C26 | C27 | 117.8° | 119.8° |
| C24 | C25 | C26 | C31 | 123.7° | 120.6° |
| C24 | C25 | C27 | C31 | 120.8° | 120.5° |
| C24 | C25 | C31 | C30 | 53.7° | 67.6° |
| C24 | C25 | C31 | N32 | 125.4° | 113.5° |
| C25 | C24 | C23 | H23 | 171.5° | 179.6° |
| C24 | C25 | C26 | H26C | 180.0° | 41.7° |
| C24 | C25 | C26 | H26A | 60.0° | 161.6° |
| C24 | C25 | C26 | H26B | 60.0° | 78.4° |
| C24 | C25 | C27 | H27C | 180.0° | 60.0° |
| C24 | C25 | C27 | H27B | 60.0° | 180.0° |
| C24 | C25 | C27 | H27A | 60.0° | 60.0° |
| C26 | C25 | C27 | C31 | 120.0° | 119.7° |
| C26 | C25 | C31 | C30 | 70.9° | 52.6° |
| C26 | C25 | C31 | N32 | 110.0° | 126.3° |
| C26 | C25 | C24 | H24 | 122.6° | 149.2° |
| C25 | C26 | H26C | H26A | 120.0° | 120.0° |
| C25 | C26 | H26C | H26B | 120.0° | 120.1° |
| C25 | C26 | H26A | H26B | 120.0° | 120.1° |
| C26 | C25 | C27 | H27C | 60.8° | 179.8° |
| C26 | C25 | C27 | H27B | 59.2° | 60.2° |
| C26 | C25 | C27 | H27A | 179.1° | 59.8° |
| C27 | C25 | C31 | C30 | 174.3° | 172.3° |
| C27 | C25 | C31 | N32 | 4.8° | 6.6° |
| C27 | C25 | C24 | H24 | 8.4° | 29.4° |
| C27 | C25 | C26 | H26C | 62.2° | 78.1° |
| C27 | C25 | C26 | H26A | 177.7° | 41.8° |
| C27 | C25 | C26 | H26B | 57.8° | 161.8° |
| C25 | C27 | H27C | H27B | 120.0° | 120.1° |
| C25 | C27 | H27C | H27A | 120.0° | 120.0° |
| C25 | C27 | H27B | H27A | 120.0° | 120.1° |
| N22 | C28 | C29 | C2 | 177.8° | 179.7° |
| N22 | C28 | C29 | C30 | 3.3° | 12.7° |
| C28 | N22 | C21 | O39 | 177.5° | 178.9° |
| C28 | N22 | C23 | H23 | 106.0° | 93.8° |
| N22 | C28 | C29 | H29 | 176.7° | 167.3° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 11.2° | 0.3° |
| C28 | C29 | C30 | C34 | 167.2° | 178.1° |
| C29 | C30 | C31 | C34 | 178.7° | 178.6° |
| C29 | C30 | C31 | N32 | 178.8° | 179.4° |
| C29 | C30 | C34 | C33 | 178.5° | 179.5° |
| C29 | C30 | C34 | C35 | 0.2° | 0.1° |
| C30 | C29 | C28 | C2 | 174.5° | 167.6° |
| C29 | C30 | C31 | C25 | 0.4° | 1.6° |
| C30 | C31 | N32 | C25 | 179.4° | 179.1° |
| C30 | C31 | N32 | C33 | 0.5° | 2.6° |
| C31 | C30 | C34 | C33 | 0.3° | 0.8° |
| C31 | C30 | C34 | C35 | 179.0° | 178.8° |
| C31 | C30 | C29 | H29 | 168.8° | 179.6° |
| C30 | C31 | N32 | H32 | 179.5° | 177.5° |
| C31 | N32 | C33 | H32 | 180.0° | 179.9° |
| C31 | N32 | C33 | C34 | 0.7° | 2.0° |
| N32 | C31 | C30 | C34 | 0.1° | 2.0° |
| C31 | N32 | C33 | C38 | 178.1° | 177.7° |
| N32 | C33 | C34 | C38 | 178.9° | 179.7° |
| N32 | C33 | C34 | C35 | 179.6° | 179.6° |
| N32 | C33 | C38 | C37 | 178.8° | 179.6° |
| C33 | N32 | C31 | C25 | 178.8° | 176.5° |
| N32 | C33 | C34 | C30 | 0.6° | 0.7° |
| N32 | C33 | C38 | H38 | 1.2° | 0.4° |
| C33 | C34 | C35 | C30 | 178.6° | 179.6° |
| C33 | C34 | C35 | C36 | 1.2° | 0.8° |
| C34 | C33 | C38 | C37 | 0.1° | 0.1° |
| C33 | C34 | C35 | H35 | 178.8° | 179.3° |
| C34 | C33 | C38 | H38 | 179.8° | 179.9° |
| C34 | C33 | N32 | H32 | 179.3° | 178.1° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 1.3° | 0.2° |
| C35 | C34 | C33 | C38 | 0.7° | 0.7° |
| C34 | C35 | C36 | H36 | 178.7° | 179.8° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.7° | 0.5° |
| C36 | C35 | C34 | C30 | 177.4° | 178.8° |
| C35 | C36 | C37 | H37 | 179.3° | 179.5° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 0.2° | 0.6° |
| C37 | C36 | C35 | H35 | 178.7° | 179.8° |
| C36 | C37 | C38 | H38 | 179.8° | 179.4° |
| C37 | C38 | C33 | H38 | 180.0° | 180.0° |
| C38 | C37 | C36 | H36 | 179.3° | 179.4° |
| O39 | C21 | C4 | H4 | 101.1° | 104.2° |
| C28 | C2 | N3 | C8 | 149.2° | 177.1° |
| C2 | C28 | C29 | H29 | 5.5° | 12.4° |
| N3 | C8 | C6 | C16 | 90.4° | 144.8° |
| C8 | N3 | C4 | H4 | 121.2° | 106.2° |
| C6 | C16 | C15 | C20 | 175.0° | 180.0° |
| C16 | C6 | C5 | H5B | 42.3° | 28.4° |
| C16 | C6 | C5 | H5A | 163.8° | 95.4° |
| C16 | C6 | C8 | H8 | 149.7° | 91.2° |
| C6 | C16 | C17 | H17 | 4.9° | 0.0° |
| C16 | C6 | O7 | H7 | 48.7° | 65.2° |
| C15 | C20 | C19 | H19 | 179.1° | 179.8° |
| C25 | C31 | C30 | C34 | 179.1° | 177.1° |
| C31 | C25 | C24 | H24 | 112.5° | 90.6° |
| C31 | C25 | C26 | H26C | 56.3° | 162.2° |
| C31 | C25 | C26 | H26A | 63.7° | 77.8° |
| C31 | C25 | C26 | H26B | 176.3° | 42.2° |
| C31 | C25 | C27 | H27C | 59.2° | 60.5° |
| C31 | C25 | C27 | H27B | 179.2° | 59.5° |
| C31 | C25 | C27 | H27A | 60.8° | 179.5° |
| C25 | C31 | N32 | H32 | 1.2° | 3.4° |
| C30 | C34 | C33 | C38 | 178.3° | 179.0° |
| C34 | C30 | C29 | H29 | 12.7° | 2.0° |
| C30 | C34 | C35 | H35 | 2.6° | 1.1° |
| C33 | C38 | C37 | H37 | 179.8° | 179.4° |
| C38 | C33 | N32 | H32 | 1.9° | 2.2° |
| H4 | C4 | C5 | H5B | 100.2° | 154.3° |
| H4 | C4 | C5 | H5A | 21.3° | 30.5° |
| H11C | C11 | H11A | H11B | 120.0° | 120.0° |
| H12C | C12 | H12B | H12A | 120.0° | 120.0° |
| H13 | C13 | C14 | H14B | 0.0° | 0.6° |
| H13 | C13 | C14 | H14A | 180.0° | 179.3° |
| H17 | C17 | C18 | H18 | 0.8° | 0.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
| H19 | C19 | C20 | H20 | 0.9° | 0.2° |
| H23 | C23 | C24 | H24 | 8.5° | 0.4° |
| H26C | C26 | H26A | H26B | 120.0° | 120.0° |
| H27C | C27 | H27B | H27A | 120.0° | 119.9° |
| H35 | C35 | C36 | H36 | 1.3° | 0.1° |
| H36 | C36 | C37 | H37 | 0.7° | 0.5° |
| H37 | C37 | C38 | H38 | 0.2° | 0.6° |
