A1LWO
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 | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | N7 | sing | 1.48Å | 1.51Å | |
| N7 | C8 | sing | 1.48Å | 1.51Å | |
| C5 | C9 | sing | 1.53Å | 1.54Å | |
| C2 | C10 | sing | 1.48Å | 1.50Å | |
| C10 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| O14 | C15 | sing | 1.36Å | 1.37Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | N19 | sing | 1.40Å | 1.43Å | |
| N19 | N20 | sing | 1.40Å | 1.38Å | Aromatic |
| N20 | C21 | doub | 1.31Å | 1.33Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.49Å | |
| C22 | F23 | sing | 1.40Å | 1.33Å | |
| C22 | F24 | sing | 1.40Å | 1.33Å | |
| C22 | F25 | sing | 1.40Å | 1.32Å | |
| C21 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.48Å | 1.48Å | |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C30 | N32 | doub | 1.32Å | 1.35Å | Aromatic |
| N32 | C33 | sing | 1.32Å | 1.34Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N37 | doub | 1.31Å | 1.32Å | Aromatic |
| N37 | C38 | sing | 1.34Å | 1.37Å | Aromatic |
| C38 | C39 | doub | 1.41Å | 1.41Å | Aromatic |
| C39 | C40 | sing | 1.36Å | 1.37Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.38Å | Aromatic |
| C41 | C42 | sing | 1.36Å | 1.36Å | Aromatic |
| C42 | C43 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | N3 | sing | 1.48Å | 1.47Å | |
| C8 | C5 | sing | 1.53Å | 1.54Å | |
| C43 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
| C36 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | N19 | sing | 1.37Å | 1.37Å | Aromatic |
| C34 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C43 | C38 | sing | 1.42Å | 1.42Å | Aromatic |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C31 | H31C | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| N7 | H7 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | N3 | 122.6° | 120.0° |
| O1 | C2 | C10 | 121.9° | 120.0° |
| C2 | N3 | C4 | 124.8° | 134.3° |
| N3 | C2 | C10 | 115.5° | 120.0° |
| C2 | N3 | C9 | 139.8° | 134.4° |
| N3 | C4 | C5 | 87.6° | 85.7° |
| C4 | N3 | C9 | 95.4° | 91.3° |
| N3 | C4 | H4A | 114.6° | 113.9° |
| N3 | C4 | H4B | 114.6° | 113.9° |
| C4 | C5 | C6 | 120.7° | 121.5° |
| C4 | C5 | C9 | 89.7° | 87.5° |
| C4 | C5 | C8 | 118.2° | 121.4° |
| C5 | C4 | H4A | 114.6° | 113.9° |
| C5 | C4 | H4B | 114.6° | 113.8° |
| C5 | C6 | N7 | 90.1° | 85.8° |
| C6 | C5 | C9 | 122.2° | 121.5° |
| C6 | C5 | C8 | 88.0° | 87.5° |
| C5 | C6 | H6A | 114.1° | 113.9° |
| C5 | C6 | H6B | 114.1° | 113.8° |
| C6 | N7 | C8 | 90.6° | 91.1° |
| N7 | C6 | H6A | 114.1° | 113.8° |
| N7 | C6 | H6B | 114.1° | 113.8° |
| C6 | N7 | H7 | 114.0° | 111.0° |
| N7 | C8 | C5 | 90.1° | 85.8° |
| N7 | C8 | H8A | 114.1° | 113.8° |
| N7 | C8 | H8B | 114.1° | 114.0° |
| C8 | N7 | H7 | 114.0° | 111.0° |
| C5 | C9 | N3 | 87.4° | 85.7° |
| C9 | C5 | C8 | 121.5° | 121.4° |
| C5 | C9 | H9A | 114.7° | 113.8° |
| C5 | C9 | H9B | 114.7° | 113.9° |
| C2 | C10 | C11 | 120.2° | 121.1° |
| C2 | C10 | C43 | 120.7° | 121.1° |
| C10 | C11 | C12 | 119.8° | 119.5° |
| C11 | C10 | C43 | 119.1° | 117.8° |
| C10 | C11 | H11 | 120.1° | 120.2° |
| C11 | C12 | C13 | 121.3° | 119.0° |
| C11 | C12 | N37 | 123.4° | 121.9° |
| C12 | C11 | H11 | 120.1° | 120.2° |
| C12 | C13 | O14 | 107.4° | 109.4° |
| C13 | C12 | N37 | 115.3° | 119.0° |
| C12 | C13 | H13B | 110.0° | 109.5° |
| C12 | C13 | H13A | 110.0° | 109.4° |
| C13 | O14 | C15 | 118.3° | 117.0° |
| O14 | C13 | H13B | 110.0° | 109.5° |
| O14 | C13 | H13A | 110.0° | 109.5° |
| O14 | C15 | C16 | 124.5° | 120.0° |
| O14 | C15 | C36 | 115.2° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C16 | C15 | C36 | 120.3° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C17 | C18 | N19 | 120.4° | 120.0° |
| C17 | C18 | C35 | 119.6° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C18 | N19 | N20 | 118.1° | 126.2° |
| N19 | C18 | C35 | 120.0° | 120.0° |
| C18 | N19 | C27 | 129.9° | 126.2° |
| N19 | N20 | C21 | 104.2° | 108.6° |
| N20 | N19 | C27 | 111.9° | 107.7° |
| N20 | C21 | C22 | 119.1° | 125.7° |
| N20 | C21 | C26 | 112.3° | 108.6° |
| C21 | C22 | F23 | 112.1° | 109.5° |
| C21 | C22 | F24 | 112.3° | 109.4° |
| C21 | C22 | F25 | 112.2° | 109.5° |
| C22 | C21 | C26 | 128.6° | 125.7° |
| F23 | C22 | F24 | 106.5° | 109.5° |
| F23 | C22 | F25 | 106.6° | 109.5° |
| F24 | C22 | F25 | 106.7° | 109.4° |
| C21 | C26 | C27 | 105.6° | 107.9° |
| C21 | C26 | H26 | 127.2° | 126.0° |
| C26 | C27 | C28 | 127.6° | 126.3° |
| C26 | C27 | N19 | 106.0° | 107.3° |
| C27 | C26 | H26 | 127.2° | 126.1° |
| C27 | C28 | C29 | 119.7° | 120.9° |
| C28 | C27 | N19 | 126.3° | 126.3° |
| C27 | C28 | C34 | 121.8° | 120.9° |
| C28 | C29 | C30 | 119.6° | 118.9° |
| C29 | C28 | C34 | 118.5° | 118.2° |
| C28 | C29 | H29 | 120.2° | 120.6° |
| C29 | C30 | C31 | 121.3° | 119.5° |
| C29 | C30 | N32 | 121.7° | 120.9° |
| C30 | C29 | H29 | 120.2° | 120.5° |
| C31 | C30 | N32 | 117.0° | 119.5° |
| C30 | C31 | H31A | 109.5° | 109.5° |
| C30 | C31 | H31B | 109.5° | 109.5° |
| C30 | C31 | H31C | 109.5° | 109.5° |
| C30 | N32 | C33 | 118.1° | 122.0° |
| N32 | C33 | C34 | 123.7° | 120.9° |
| N32 | C33 | H33 | 118.1° | 119.5° |
| C33 | C34 | C28 | 118.4° | 119.0° |
| C34 | C33 | H33 | 118.2° | 119.5° |
| C33 | C34 | H34 | 120.8° | 120.5° |
| C18 | C35 | C36 | 120.4° | 120.0° |
| C18 | C35 | H35 | 119.8° | 120.0° |
| C35 | C36 | C15 | 119.8° | 120.0° |
| C36 | C35 | H35 | 119.8° | 120.0° |
| C35 | C36 | H36 | 120.1° | 120.1° |
| C12 | N37 | C38 | 118.0° | 121.8° |
| N37 | C38 | C39 | 118.4° | 121.0° |
| N37 | C38 | C43 | 122.6° | 120.0° |
| C38 | C39 | C40 | 120.4° | 119.7° |
| C39 | C38 | C43 | 119.0° | 119.0° |
| C38 | C39 | H39 | 119.8° | 120.1° |
| C39 | C40 | C41 | 120.7° | 121.0° |
| C40 | C39 | H39 | 119.8° | 120.1° |
| C39 | C40 | H40 | 119.7° | 119.5° |
| C40 | C41 | C42 | 120.6° | 120.9° |
| C41 | C40 | H40 | 119.6° | 119.5° |
| C40 | C41 | H41 | 119.7° | 119.5° |
| C41 | C42 | C43 | 120.8° | 119.6° |
| C42 | C41 | H41 | 119.7° | 119.6° |
| C41 | C42 | H42 | 119.6° | 120.2° |
| C42 | C43 | C10 | 124.5° | 121.4° |
| C42 | C43 | C38 | 118.5° | 119.7° |
| C43 | C42 | H42 | 119.6° | 120.2° |
| N3 | C9 | H9A | 114.7° | 113.8° |
| N3 | C9 | H9B | 114.7° | 113.9° |
| C5 | C8 | H8A | 114.1° | 113.8° |
| C5 | C8 | H8B | 114.1° | 113.9° |
| C10 | C43 | C38 | 117.0° | 118.9° |
| C15 | C36 | H36 | 120.1° | 120.0° |
| C28 | C34 | H34 | 120.8° | 120.5° |
| H13B | C13 | H13A | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31C | 109.5° | 109.4° |
| H31B | C31 | H31C | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 113.0° |
| H6A | C6 | H6B | 109.4° | 113.1° |
| H8A | C8 | H8B | 109.4° | 113.0° |
| H9A | C9 | H9B | 109.4° | 113.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | C10 | 180.0° | 180.0° |
| O1 | C2 | N3 | C4 | 153.3° | 174.6° |
| O1 | C2 | C10 | C11 | 73.1° | 154.6° |
| O1 | C2 | N3 | C9 | 30.1° | 5.3° |
| O1 | C2 | C10 | C43 | 108.7° | 25.7° |
| C2 | N3 | C4 | C9 | 177.8° | 179.9° |
| C2 | N3 | C4 | C5 | 177.3° | 156.2° |
| C2 | N3 | C9 | C5 | 176.7° | 156.2° |
| N3 | C2 | C10 | C11 | 106.9° | 25.4° |
| N3 | C2 | C10 | C43 | 71.3° | 154.3° |
| C2 | N3 | C4 | H4A | 66.7° | 41.9° |
| C2 | N3 | C4 | H4B | 61.2° | 89.6° |
| C2 | N3 | C9 | H9A | 67.3° | 89.6° |
| C2 | N3 | C9 | H9B | 60.6° | 41.9° |
| N3 | C4 | C5 | H4A | 116.1° | 114.3° |
| N3 | C4 | C5 | H4B | 116.1° | 114.3° |
| N3 | C4 | C5 | C6 | 128.5° | 148.8° |
| C4 | N3 | C9 | C5 | 0.5° | 23.7° |
| C4 | N3 | C2 | C10 | 26.7° | 5.4° |
| N3 | C4 | C5 | C8 | 125.6° | 102.8° |
| N3 | C4 | H4A | H4B | 130.4° | 132.0° |
| C4 | N3 | C9 | H9A | 115.5° | 90.5° |
| C4 | N3 | C9 | H9B | 116.6° | 138.0° |
| C4 | C5 | C6 | C9 | 111.4° | 108.3° |
| C4 | C5 | C6 | C8 | 122.0° | 125.9° |
| C4 | C5 | C6 | N7 | 113.8° | 148.9° |
| C4 | C5 | C8 | N7 | 116.0° | 149.0° |
| C4 | C5 | C9 | C8 | 123.4° | 125.8° |
| C5 | C4 | H4A | H4B | 130.4° | 131.8° |
| C4 | C5 | C6 | H6A | 129.5° | 96.8° |
| C4 | C5 | C6 | H6B | 2.7° | 34.7° |
| C4 | C5 | C8 | H8A | 127.4° | 34.8° |
| C4 | C5 | C8 | H8B | 0.6° | 96.6° |
| C4 | C5 | C9 | H9A | 115.5° | 91.3° |
| C4 | C5 | C9 | H9B | 116.6° | 137.2° |
| C5 | C6 | N7 | H6A | 116.6° | 114.3° |
| C5 | C6 | N7 | H6B | 116.6° | 114.2° |
| C6 | C5 | C8 | N7 | 8.1° | 23.1° |
| C6 | C5 | C9 | C8 | 109.7° | 108.4° |
| C6 | C5 | C9 | N3 | 127.4° | 148.8° |
| C6 | C5 | C4 | H4A | 12.4° | 97.0° |
| C6 | C5 | C4 | H4B | 115.4° | 34.5° |
| C5 | C6 | H6A | H6B | 129.2° | 132.0° |
| C6 | C5 | C8 | H8A | 108.4° | 91.1° |
| C6 | C5 | C8 | H8B | 124.8° | 137.5° |
| C6 | C5 | C9 | H9A | 11.3° | 34.6° |
| C6 | C5 | C9 | H9B | 116.6° | 97.0° |
| C5 | C6 | N7 | H7 | 125.0° | 89.2° |
| C6 | N7 | C8 | H7 | 116.7° | 113.0° |
| N7 | C6 | C5 | C9 | 134.7° | 102.8° |
| N7 | C6 | H6A | H6B | 129.1° | 131.9° |
| C6 | N7 | C8 | H8A | 108.3° | 90.4° |
| C6 | N7 | C8 | H8B | 124.9° | 138.1° |
| N7 | C8 | C5 | C9 | 135.3° | 102.8° |
| N7 | C8 | C5 | H8A | 116.6° | 114.2° |
| N7 | C8 | C5 | H8B | 116.6° | 114.4° |
| C8 | N7 | C6 | H6A | 108.3° | 138.1° |
| C8 | N7 | C6 | H6B | 124.9° | 90.4° |
| N7 | C8 | H8A | H8B | 129.2° | 132.1° |
| C5 | C9 | N3 | H9A | 116.0° | 114.2° |
| C5 | C9 | N3 | H9B | 116.1° | 114.3° |
| C9 | C5 | C4 | H4A | 115.6° | 137.2° |
| C9 | C5 | C4 | H4B | 116.6° | 91.4° |
| C9 | C5 | C6 | H6A | 18.1° | 11.5° |
| C9 | C5 | C6 | H6B | 108.7° | 143.0° |
| C9 | C5 | C8 | H8A | 18.7° | 143.0° |
| C9 | C5 | C8 | H8B | 108.1° | 11.6° |
| C5 | C9 | H9A | H9B | 130.6° | 132.0° |
| C2 | C10 | C11 | C43 | 178.2° | 179.7° |
| C2 | C10 | C11 | C12 | 178.2° | 180.0° |
| C2 | C10 | C43 | C42 | 1.7° | 0.3° |
| C10 | C2 | N3 | C9 | 149.9° | 174.7° |
| C2 | C10 | C43 | C38 | 178.2° | 179.7° |
| C2 | C10 | C11 | H11 | 1.8° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 178.3° | 180.0° |
| C10 | C11 | C12 | N37 | 0.1° | 0.1° |
| C11 | C10 | C43 | C42 | 179.9° | 180.0° |
| C11 | C10 | C43 | C38 | 0.1° | 0.0° |
| C11 | C12 | C13 | N37 | 178.5° | 180.0° |
| C11 | C12 | C13 | O14 | 139.6° | 0.1° |
| C11 | C12 | N37 | C38 | 0.1° | 0.6° |
| C12 | C11 | C10 | C43 | 0.0° | 0.2° |
| C11 | C12 | C13 | H13B | 100.7° | 119.9° |
| C11 | C12 | C13 | H13A | 19.9° | 120.0° |
| C12 | C13 | O14 | H13B | 119.7° | 120.0° |
| C12 | C13 | O14 | H13A | 119.7° | 119.9° |
| C12 | C13 | O14 | C15 | 169.2° | 180.0° |
| C13 | C12 | N37 | C38 | 178.3° | 179.4° |
| C12 | C13 | H13B | H13A | 120.9° | 120.0° |
| C13 | C12 | C11 | H11 | 1.7° | 0.1° |
| C13 | O14 | C15 | C16 | 8.4° | 180.0° |
| O14 | C13 | C12 | N37 | 38.9° | 180.0° |
| C13 | O14 | C15 | C36 | 171.4° | 0.2° |
| O14 | C13 | H13B | H13A | 121.0° | 120.1° |
| O14 | C15 | C16 | C36 | 179.7° | 179.8° |
| O14 | C15 | C16 | C17 | 179.6° | 179.7° |
| O14 | C15 | C36 | C35 | 179.7° | 179.7° |
| C15 | O14 | C13 | H13B | 49.5° | 60.0° |
| C15 | O14 | C13 | H13A | 71.1° | 60.1° |
| O14 | C15 | C16 | H16 | 0.4° | 0.3° |
| O14 | C15 | C36 | H36 | 0.3° | 0.2° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C36 | C35 | 0.1° | 0.1° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C36 | H36 | 180.0° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 178.6° | 180.0° |
| C16 | C17 | C18 | C35 | 0.1° | 0.1° |
| C17 | C16 | C15 | C36 | 0.1° | 0.0° |
| C17 | C18 | N19 | C35 | 178.7° | 180.0° |
| C17 | C18 | N19 | N20 | 98.0° | 134.5° |
| C17 | C18 | C35 | C36 | 0.1° | 0.1° |
| C17 | C18 | N19 | C27 | 84.7° | 45.3° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C35 | H35 | 179.9° | 180.0° |
| C18 | N19 | N20 | C27 | 177.8° | 179.8° |
| C18 | N19 | N20 | C21 | 177.8° | 179.8° |
| C18 | N19 | C27 | C26 | 177.5° | 180.0° |
| C18 | N19 | C27 | C28 | 1.4° | 0.1° |
| N19 | C18 | C35 | C36 | 178.7° | 179.9° |
| N19 | C18 | C17 | H17 | 1.4° | 0.0° |
| N19 | C18 | C35 | H35 | 1.4° | 0.0° |
| N19 | N20 | C21 | C22 | 178.4° | 179.9° |
| N19 | N20 | C21 | C26 | 0.1° | 0.4° |
| N20 | N19 | C27 | C26 | 0.0° | 0.2° |
| N20 | N19 | C27 | C28 | 178.8° | 179.7° |
| N20 | N19 | C18 | C35 | 83.3° | 45.6° |
| N20 | C21 | C22 | C26 | 178.2° | 179.6° |
| N20 | C21 | C22 | F23 | 93.7° | 90.3° |
| N20 | C21 | C22 | F24 | 26.1° | 29.7° |
| N20 | C21 | C22 | F25 | 146.4° | 149.6° |
| N20 | C21 | C26 | C27 | 0.1° | 0.3° |
| C21 | N20 | N19 | C27 | 0.0° | 0.4° |
| N20 | C21 | C26 | H26 | 179.9° | 179.8° |
| C21 | C22 | F23 | F24 | 123.2° | 120.0° |
| C21 | C22 | F23 | F25 | 123.1° | 120.1° |
| C21 | C22 | F24 | F25 | 123.4° | 120.0° |
| C22 | C21 | C26 | C27 | 178.2° | 180.0° |
| C22 | C21 | C26 | H26 | 1.8° | 0.1° |
| F23 | C22 | F24 | F25 | 113.6° | 120.0° |
| F23 | C22 | C21 | C26 | 84.4° | 90.0° |
| F24 | C22 | C21 | C26 | 155.7° | 150.0° |
| F25 | C22 | C21 | C26 | 35.4° | 30.0° |
| C21 | C26 | C27 | H26 | 180.0° | 179.9° |
| C21 | C26 | C27 | C28 | 178.8° | 179.9° |
| C21 | C26 | C27 | N19 | 0.1° | 0.1° |
| C26 | C27 | C28 | N19 | 178.6° | 179.8° |
| C26 | C27 | C28 | C29 | 15.9° | 154.7° |
| C26 | C27 | C28 | C34 | 162.3° | 24.9° |
| C27 | C28 | C29 | C34 | 178.3° | 179.7° |
| C27 | C28 | C29 | C30 | 178.1° | 180.0° |
| C27 | C28 | C34 | C33 | 178.1° | 180.0° |
| C28 | C27 | C26 | H26 | 1.2° | 0.1° |
| C27 | C28 | C29 | H29 | 1.9° | 0.1° |
| C27 | C28 | C34 | H34 | 1.9° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 179.3° | 180.0° |
| C28 | C29 | C30 | N32 | 0.2° | 0.0° |
| C29 | C28 | C34 | C33 | 0.1° | 0.3° |
| C29 | C28 | C27 | N19 | 165.4° | 25.4° |
| C29 | C28 | C34 | H34 | 179.9° | 179.8° |
| C29 | C30 | C31 | N32 | 179.4° | 180.0° |
| C29 | C30 | N32 | C33 | 0.1° | 0.2° |
| C30 | C29 | C28 | C34 | 0.1° | 0.3° |
| C29 | C30 | C31 | H31A | 179.4° | 90.0° |
| C29 | C30 | C31 | H31B | 59.4° | 150.1° |
| C29 | C30 | C31 | H31C | 60.6° | 30.0° |
| C31 | C30 | N32 | C33 | 179.3° | 179.7° |
| C31 | C30 | C29 | H29 | 0.8° | 0.0° |
| C30 | C31 | H31A | H31B | 120.0° | 120.0° |
| C30 | C31 | H31A | H31C | 120.0° | 120.0° |
| C30 | C31 | H31B | H31C | 120.0° | 120.1° |
| C30 | N32 | C33 | C34 | 0.1° | 0.2° |
| N32 | C30 | C29 | H29 | 179.8° | 180.0° |
| N32 | C30 | C31 | H31A | 0.0° | 90.0° |
| N32 | C30 | C31 | H31B | 120.0° | 30.0° |
| N32 | C30 | C31 | H31C | 120.0° | 150.0° |
| C30 | N32 | C33 | H33 | 179.9° | 179.8° |
| N32 | C33 | C34 | H33 | 180.0° | 180.0° |
| N32 | C33 | C34 | C28 | 0.1° | 0.0° |
| N32 | C33 | C34 | H34 | 179.9° | 180.0° |
| C33 | C34 | C28 | H34 | 180.0° | 180.0° |
| C18 | C35 | C36 | H35 | 180.0° | 179.9° |
| C18 | C35 | C36 | C15 | 0.1° | 0.1° |
| C35 | C18 | N19 | C27 | 94.0° | 134.6° |
| C35 | C18 | C17 | H17 | 179.9° | 179.9° |
| C18 | C35 | C36 | H36 | 180.0° | 180.0° |
| C35 | C36 | C15 | H36 | 180.0° | 179.9° |
| C12 | N37 | C38 | C39 | 180.0° | 179.7° |
| C12 | N37 | C38 | C43 | 0.1° | 0.9° |
| N37 | C12 | C13 | H13B | 80.8° | 60.0° |
| N37 | C12 | C13 | H13A | 158.6° | 60.0° |
| N37 | C12 | C11 | H11 | 179.9° | 180.0° |
| N37 | C38 | C39 | C43 | 179.9° | 179.4° |
| N37 | C38 | C39 | C40 | 179.9° | 179.4° |
| N37 | C38 | C43 | C42 | 179.9° | 179.4° |
| N37 | C38 | C43 | C10 | 0.0° | 0.6° |
| N37 | C38 | C39 | H39 | 0.2° | 0.5° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.0° | 0.0° |
| C39 | C38 | C43 | C42 | 0.0° | 0.0° |
| C39 | C38 | C43 | C10 | 179.9° | 180.0° |
| C38 | C39 | C40 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 0.0° | 0.1° |
| C40 | C39 | C38 | C43 | 0.0° | 0.0° |
| C39 | C40 | C41 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.0° | 0.1° |
| C41 | C40 | C39 | H39 | 180.0° | 180.0° |
| C40 | C41 | C42 | H42 | 179.9° | 180.0° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | C10 | 179.8° | 180.0° |
| C41 | C42 | C43 | C38 | 0.0° | 0.1° |
| C42 | C41 | C40 | H40 | 179.9° | 180.0° |
| C42 | C43 | C10 | C38 | 179.8° | 180.0° |
| C43 | C42 | C41 | H41 | 180.0° | 179.9° |
| N3 | C9 | C5 | C8 | 122.9° | 102.9° |
| C9 | N3 | C4 | H4A | 115.5° | 138.0° |
| C9 | N3 | C4 | H4B | 116.6° | 90.5° |
| N3 | C9 | H9A | H9B | 130.5° | 131.9° |
| C8 | C5 | C4 | H4A | 118.3° | 11.4° |
| C8 | C5 | C4 | H4B | 9.6° | 142.9° |
| C8 | C5 | C6 | H6A | 108.5° | 137.3° |
| C8 | C5 | C6 | H6B | 124.7° | 91.1° |
| C5 | C8 | H8A | H8B | 129.2° | 131.8° |
| C8 | C5 | C9 | H9A | 121.0° | 143.0° |
| C8 | C5 | C9 | H9B | 6.9° | 11.4° |
| C5 | C8 | N7 | H7 | 125.0° | 89.2° |
| C43 | C10 | C11 | H11 | 180.0° | 179.7° |
| C10 | C43 | C42 | H42 | 0.2° | 0.1° |
| C36 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C36 | C35 | H35 | 179.9° | 180.0° |
| N19 | C27 | C28 | C34 | 16.3° | 154.9° |
| N19 | C27 | C26 | H26 | 179.9° | 180.0° |
| C34 | C28 | C29 | H29 | 179.8° | 179.8° |
| C28 | C34 | C33 | H33 | 179.9° | 180.0° |
| C43 | C38 | C39 | H39 | 179.9° | 180.0° |
| C38 | C43 | C42 | H42 | 180.0° | 180.0° |
| H17 | C17 | C16 | H16 | 0.1° | 0.0° |
| H31A | C31 | H31B | H31C | 120.0° | 119.9° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| H35 | C35 | C36 | H36 | 0.1° | 0.1° |
| H39 | C39 | C40 | H40 | 0.0° | 0.1° |
| H40 | C40 | C41 | H41 | 0.1° | 0.0° |
| H41 | C41 | C42 | H42 | 0.1° | 0.0° |
| H6A | C6 | N7 | H7 | 8.4° | 25.1° |
| H6B | C6 | N7 | H7 | 118.4° | 156.6° |
| H8A | C8 | N7 | H7 | 8.4° | 156.6° |
| H8B | C8 | N7 | H7 | 118.4° | 25.1° |
