O4U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | N18 | sing | 1.46Å | 1.46Å | |
| N18 | C1 | sing | 1.35Å | 1.34Å | |
| C1 | O19 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.48Å | 1.52Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C6 | N14 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | N16 | sing | 1.38Å | 1.33Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| N14 | C17 | doub | 1.30Å | 1.34Å | Aromatic |
| N16 | C27 | sing | 1.40Å | 1.35Å | |
| N16 | C17 | sing | 1.36Å | 1.33Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C33 | sing | 1.51Å | 1.52Å | |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | N34 | sing | 1.47Å | 1.44Å | |
| O36 | C35 | doub | 1.22Å | 1.23Å | |
| N34 | C35 | sing | 1.35Å | 1.34Å | |
| C35 | C37 | sing | 1.48Å | 1.49Å | |
| C37 | C41 | sing | 1.41Å | 1.41Å | Aromatic |
| C37 | N38 | doub | 1.32Å | 1.36Å | Aromatic |
| C41 | C40 | doub | 1.35Å | 1.40Å | Aromatic |
| N38 | N39 | sing | 1.28Å | 1.41Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | N39 | sing | 1.35Å | 1.34Å | Aromatic |
| C40 | C42 | sing | 1.51Å | 1.51Å | |
| N39 | C49 | sing | 1.47Å | 1.49Å | |
| C45 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.51Å | 1.51Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C29 | H9 | sing | 1.08Å | 1.08Å | |
| C31 | H10 | sing | 1.08Å | 1.08Å | |
| C32 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C41 | H14 | sing | 1.08Å | 1.08Å | |
| C42 | H15 | sing | 1.09Å | 1.10Å | |
| C42 | H16 | sing | 1.09Å | 1.10Å | |
| C44 | H17 | sing | 1.08Å | 1.08Å | |
| C45 | H18 | sing | 1.08Å | 1.08Å | |
| C46 | H19 | sing | 1.08Å | 1.08Å | |
| C47 | H20 | sing | 1.08Å | 1.08Å | |
| C48 | H21 | sing | 1.08Å | 1.08Å | |
| C49 | H22 | sing | 1.09Å | 1.10Å | |
| C49 | H23 | sing | 1.09Å | 1.10Å | |
| C49 | H24 | sing | 1.09Å | 1.10Å | |
| N18 | H25 | sing | 0.97Å | 1.00Å | |
| N34 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N18 | C1 | 121.4° | 120.0° |
| N18 | C20 | H5 | 109.5° | 109.5° |
| N18 | C20 | H6 | 109.4° | 109.5° |
| N18 | C20 | H7 | 109.5° | 109.5° |
| C20 | N18 | H25 | 119.3° | 120.0° |
| N18 | C1 | O19 | 121.0° | 120.0° |
| N18 | C1 | C2 | 120.6° | 120.0° |
| C1 | N18 | H25 | 119.3° | 120.0° |
| O19 | C1 | C2 | 118.4° | 120.0° |
| C1 | C2 | C3 | 121.9° | 119.9° |
| C1 | C2 | C7 | 118.5° | 119.9° |
| C3 | C2 | C7 | 119.6° | 120.2° |
| C2 | C3 | C4 | 119.8° | 120.5° |
| C2 | C3 | H3 | 120.1° | 119.7° |
| C2 | C7 | C6 | 120.6° | 119.5° |
| C2 | C7 | H1 | 119.7° | 120.2° |
| C3 | C4 | C5 | 120.2° | 120.2° |
| C3 | C4 | H2 | 119.9° | 119.9° |
| C4 | C3 | H3 | 120.1° | 119.8° |
| C7 | C6 | C5 | 119.6° | 119.5° |
| C7 | C6 | N14 | 131.8° | 133.5° |
| C6 | C7 | H1 | 119.7° | 120.3° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C4 | C5 | N16 | 136.8° | 133.9° |
| C5 | C4 | H2 | 119.9° | 119.9° |
| C5 | C6 | N14 | 108.6° | 107.0° |
| C6 | C5 | N16 | 103.0° | 106.0° |
| C6 | N14 | C17 | 109.4° | 109.6° |
| C5 | N16 | C27 | 126.3° | 126.4° |
| C5 | N16 | C17 | 114.5° | 107.3° |
| C31 | C32 | C27 | 123.2° | 119.9° |
| C32 | C31 | C30 | 119.2° | 120.1° |
| C32 | C31 | H10 | 120.4° | 120.0° |
| C31 | C32 | H11 | 118.4° | 120.0° |
| C32 | C27 | N16 | 124.6° | 120.0° |
| C32 | C27 | C28 | 115.1° | 119.9° |
| C27 | C32 | H11 | 118.4° | 120.0° |
| N14 | C17 | N16 | 104.6° | 110.1° |
| N14 | C17 | H4 | 127.7° | 124.9° |
| C27 | N16 | C17 | 119.2° | 126.3° |
| N16 | C27 | C28 | 120.2° | 120.1° |
| N16 | C17 | H4 | 127.7° | 124.9° |
| C31 | C30 | C29 | 119.2° | 120.1° |
| C31 | C30 | C33 | 120.8° | 119.9° |
| C30 | C31 | H10 | 120.4° | 120.0° |
| C27 | C28 | C29 | 123.5° | 120.0° |
| C27 | C28 | H8 | 118.2° | 120.0° |
| C29 | C30 | C33 | 120.0° | 119.9° |
| C30 | C29 | C28 | 119.7° | 120.0° |
| C30 | C29 | H9 | 120.2° | 120.0° |
| C30 | C33 | N34 | 110.6° | 109.5° |
| C30 | C33 | H12 | 109.2° | 109.5° |
| C30 | C33 | H13 | 109.2° | 109.5° |
| C29 | C28 | H8 | 118.2° | 120.0° |
| C28 | C29 | H9 | 120.1° | 120.0° |
| C33 | N34 | C35 | 123.1° | 120.0° |
| N34 | C33 | H12 | 109.2° | 109.4° |
| N34 | C33 | H13 | 109.2° | 109.5° |
| C33 | N34 | H26 | 118.4° | 120.0° |
| O36 | C35 | N34 | 122.8° | 120.0° |
| O36 | C35 | C37 | 120.1° | 120.0° |
| N34 | C35 | C37 | 117.1° | 120.0° |
| C35 | N34 | H26 | 118.5° | 120.0° |
| C35 | C37 | C41 | 126.8° | 126.5° |
| C35 | C37 | N38 | 124.3° | 126.5° |
| C41 | C37 | N38 | 108.9° | 107.0° |
| C37 | C41 | C40 | 107.6° | 105.5° |
| C37 | C41 | H14 | 126.2° | 127.3° |
| C37 | N38 | N39 | 105.6° | 110.1° |
| C41 | C40 | N39 | 106.5° | 107.2° |
| C41 | C40 | C42 | 128.6° | 126.4° |
| C40 | C41 | H14 | 126.2° | 127.2° |
| N38 | N39 | C40 | 111.4° | 110.3° |
| N38 | N39 | C49 | 115.9° | 124.9° |
| C46 | C47 | C48 | 120.5° | 120.0° |
| C47 | C46 | C45 | 119.9° | 120.0° |
| C47 | C46 | H19 | 120.1° | 120.0° |
| C46 | C47 | H20 | 119.8° | 120.0° |
| C47 | C48 | C43 | 119.9° | 120.0° |
| C48 | C47 | H20 | 119.8° | 120.0° |
| C47 | C48 | H21 | 120.1° | 120.0° |
| C46 | C45 | C44 | 119.6° | 120.0° |
| C46 | C45 | H18 | 120.2° | 120.0° |
| C45 | C46 | H19 | 120.1° | 120.0° |
| C48 | C43 | C44 | 119.7° | 120.0° |
| C48 | C43 | C42 | 120.0° | 120.0° |
| C43 | C48 | H21 | 120.0° | 120.0° |
| N39 | C40 | C42 | 124.9° | 126.4° |
| C40 | N39 | C49 | 132.7° | 124.9° |
| C40 | C42 | C43 | 111.8° | 109.5° |
| C40 | C42 | H15 | 108.9° | 109.5° |
| C40 | C42 | H16 | 108.9° | 109.5° |
| N39 | C49 | H22 | 109.5° | 109.5° |
| N39 | C49 | H23 | 109.5° | 109.4° |
| N39 | C49 | H24 | 109.4° | 109.5° |
| C45 | C44 | C43 | 120.4° | 120.0° |
| C45 | C44 | H17 | 119.8° | 120.0° |
| C44 | C45 | H18 | 120.2° | 120.0° |
| C44 | C43 | C42 | 120.2° | 120.0° |
| C43 | C44 | H17 | 119.8° | 120.0° |
| C43 | C42 | H15 | 108.9° | 109.5° |
| C43 | C42 | H16 | 108.9° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H5 | C20 | H7 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H12 | C33 | H13 | 109.4° | 109.5° |
| H15 | C42 | H16 | 109.5° | 109.4° |
| H22 | C49 | H23 | 109.5° | 109.5° |
| H22 | C49 | H24 | 109.5° | 109.5° |
| H23 | C49 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | N18 | C1 | H25 | 180.0° | 180.0° |
| C20 | N18 | C1 | O19 | 7.2° | 0.0° |
| C20 | N18 | C1 | C2 | 175.3° | 180.0° |
| N18 | C20 | H5 | H6 | 120.0° | 120.0° |
| N18 | C20 | H5 | H7 | 120.0° | 120.1° |
| N18 | C20 | H6 | H7 | 120.0° | 120.0° |
| N18 | C1 | O19 | C2 | 177.6° | 180.0° |
| N18 | C1 | C2 | C3 | 0.0° | 0.0° |
| N18 | C1 | C2 | C7 | 179.0° | 179.5° |
| C1 | N18 | C20 | H5 | 180.0° | 60.0° |
| C1 | N18 | C20 | H6 | 60.0° | 180.0° |
| C1 | N18 | C20 | H7 | 60.0° | 60.1° |
| O19 | C1 | C2 | C3 | 177.6° | 180.0° |
| O19 | C1 | C2 | C7 | 1.4° | 0.5° |
| O19 | C1 | N18 | H25 | 172.9° | 180.0° |
| C1 | C2 | C3 | C7 | 179.0° | 179.5° |
| C1 | C2 | C3 | C4 | 179.1° | 180.0° |
| C1 | C2 | C7 | C6 | 179.4° | 180.0° |
| C1 | C2 | C7 | H1 | 0.6° | 0.2° |
| C1 | C2 | C3 | H3 | 0.9° | 0.2° |
| C2 | C1 | N18 | H25 | 4.7° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C3 | C2 | C7 | C6 | 0.4° | 0.5° |
| C2 | C3 | C4 | C5 | 0.5° | 0.2° |
| C3 | C2 | C7 | H1 | 179.6° | 179.7° |
| C2 | C3 | C4 | H2 | 179.5° | 179.8° |
| C7 | C2 | C3 | C4 | 0.2° | 0.5° |
| C2 | C7 | C6 | H1 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 0.1° | 0.3° |
| C2 | C7 | C6 | N14 | 179.8° | 179.8° |
| C7 | C2 | C3 | H3 | 179.8° | 179.7° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | N16 | 178.6° | 180.0° |
| C7 | C6 | C5 | C4 | 0.8° | 0.0° |
| C7 | C6 | C5 | N14 | 179.8° | 180.0° |
| C7 | C6 | C5 | N16 | 179.1° | 180.0° |
| C7 | C6 | N14 | C17 | 179.3° | 179.9° |
| C4 | C5 | C6 | N16 | 178.3° | 180.0° |
| C4 | C5 | C6 | N14 | 179.4° | 180.0° |
| C4 | C5 | N16 | C27 | 2.3° | 0.0° |
| C4 | C5 | N16 | C17 | 178.8° | 180.0° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C5 | C6 | N14 | C17 | 0.9° | 0.0° |
| C6 | C5 | N16 | C27 | 179.8° | 180.0° |
| C6 | C5 | N16 | C17 | 0.9° | 0.0° |
| C5 | C6 | C7 | H1 | 179.9° | 180.0° |
| C6 | C5 | C4 | H2 | 179.0° | 180.0° |
| N14 | C6 | C5 | N16 | 1.1° | 0.0° |
| C6 | N14 | C17 | N16 | 0.3° | 0.0° |
| N14 | C6 | C7 | H1 | 0.1° | 0.0° |
| C6 | N14 | C17 | H4 | 179.7° | 180.0° |
| C5 | N16 | C27 | C32 | 43.3° | 50.2° |
| C5 | N16 | C17 | N14 | 0.4° | 0.0° |
| C5 | N16 | C27 | C17 | 178.8° | 180.0° |
| C5 | N16 | C27 | C28 | 138.6° | 130.0° |
| N16 | C5 | C4 | H2 | 1.4° | 0.0° |
| C5 | N16 | C17 | H4 | 179.6° | 180.0° |
| C31 | C32 | C27 | H11 | 180.0° | 179.9° |
| C31 | C32 | C27 | N16 | 179.4° | 179.8° |
| C32 | C31 | C30 | H10 | 180.0° | 179.9° |
| C31 | C32 | C27 | C28 | 1.3° | 0.1° |
| C32 | C31 | C30 | C29 | 0.5° | 0.0° |
| C32 | C31 | C30 | C33 | 179.6° | 180.0° |
| C32 | C27 | N16 | C28 | 178.0° | 179.8° |
| C32 | C27 | N16 | C17 | 137.8° | 129.8° |
| C27 | C32 | C31 | C30 | 1.2° | 0.0° |
| C32 | C27 | C28 | C29 | 0.8° | 0.1° |
| C32 | C27 | C28 | H8 | 179.2° | 179.9° |
| C27 | C32 | C31 | H10 | 178.8° | 179.9° |
| N14 | C17 | N16 | C27 | 179.4° | 179.9° |
| N14 | C17 | N16 | H4 | 180.0° | 179.9° |
| N16 | C27 | C28 | C29 | 179.0° | 179.8° |
| C27 | N16 | C17 | H4 | 0.6° | 0.0° |
| N16 | C27 | C28 | H8 | 1.0° | 0.2° |
| N16 | C27 | C32 | H11 | 0.6° | 0.2° |
| C17 | N16 | C27 | C28 | 40.2° | 50.1° |
| C31 | C30 | C29 | C33 | 179.1° | 180.0° |
| C31 | C30 | C29 | C28 | 0.1° | 0.0° |
| C31 | C30 | C33 | N34 | 169.6° | 90.0° |
| C31 | C30 | C29 | H9 | 179.9° | 180.0° |
| C30 | C31 | C32 | H11 | 178.8° | 180.0° |
| C31 | C30 | C33 | H12 | 49.4° | 30.0° |
| C31 | C30 | C33 | H13 | 70.2° | 150.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | H8 | 180.0° | 180.0° |
| C27 | C28 | C29 | H9 | 179.8° | 179.9° |
| C28 | C27 | C32 | H11 | 178.7° | 180.0° |
| C30 | C29 | C28 | H9 | 180.0° | 180.0° |
| C29 | C30 | C33 | N34 | 11.3° | 90.0° |
| C30 | C29 | C28 | H8 | 179.8° | 180.0° |
| C29 | C30 | C31 | H10 | 179.5° | 179.9° |
| C29 | C30 | C33 | H12 | 131.5° | 150.0° |
| C29 | C30 | C33 | H13 | 108.8° | 30.0° |
| C33 | C30 | C29 | C28 | 179.1° | 180.0° |
| C30 | C33 | N34 | H12 | 120.2° | 120.0° |
| C30 | C33 | N34 | H13 | 120.2° | 120.0° |
| C30 | C33 | N34 | C35 | 90.2° | 180.0° |
| C33 | C30 | C29 | H9 | 0.9° | 0.0° |
| C33 | C30 | C31 | H10 | 0.4° | 0.1° |
| C30 | C33 | H12 | H13 | 119.5° | 120.0° |
| C30 | C33 | N34 | H26 | 89.8° | 0.0° |
| C33 | N34 | C35 | O36 | 4.3° | 0.0° |
| C33 | N34 | C35 | H26 | 180.0° | 180.0° |
| C33 | N34 | C35 | C37 | 177.3° | 180.0° |
| N34 | C33 | H12 | H13 | 119.5° | 120.0° |
| O36 | C35 | N34 | C37 | 178.4° | 180.0° |
| O36 | C35 | C37 | C41 | 8.6° | 0.0° |
| O36 | C35 | C37 | N38 | 170.5° | 179.7° |
| O36 | C35 | N34 | H26 | 175.7° | 180.0° |
| N34 | C35 | C37 | C41 | 173.0° | 180.0° |
| N34 | C35 | C37 | N38 | 7.9° | 0.3° |
| C35 | N34 | C33 | H12 | 149.7° | 60.0° |
| C35 | N34 | C33 | H13 | 30.0° | 60.0° |
| C35 | C37 | C41 | N38 | 179.2° | 179.8° |
| C35 | C37 | C41 | C40 | 179.8° | 180.0° |
| C35 | C37 | N38 | N39 | 179.1° | 180.0° |
| C35 | C37 | C41 | H14 | 0.2° | 0.0° |
| C37 | C35 | N34 | H26 | 2.7° | 0.0° |
| C37 | C41 | C40 | H14 | 180.0° | 180.0° |
| C41 | C37 | N38 | N39 | 0.1° | 0.2° |
| C37 | C41 | C40 | N39 | 1.2° | 0.2° |
| C37 | C41 | C40 | C42 | 178.0° | 179.9° |
| N38 | C37 | C41 | C40 | 0.7° | 0.2° |
| C37 | N38 | N39 | C40 | 0.9° | 0.1° |
| C37 | N38 | N39 | C49 | 179.6° | 179.9° |
| N38 | C37 | C41 | H14 | 179.3° | 179.8° |
| C41 | C40 | N39 | N38 | 1.3° | 0.1° |
| C41 | C40 | N39 | C42 | 179.3° | 179.9° |
| C41 | C40 | N39 | C49 | 179.7° | 180.0° |
| C41 | C40 | C42 | C43 | 6.1° | 85.0° |
| C41 | C40 | C42 | H15 | 114.2° | 155.0° |
| C41 | C40 | C42 | H16 | 126.5° | 35.0° |
| N38 | N39 | C40 | C49 | 178.4° | 180.0° |
| N38 | N39 | C40 | C42 | 178.0° | 180.0° |
| N38 | N39 | C49 | H22 | 0.0° | 90.0° |
| N38 | N39 | C49 | H23 | 120.0° | 30.0° |
| N38 | N39 | C49 | H24 | 120.0° | 150.0° |
| C46 | C47 | C48 | H20 | 180.0° | 179.7° |
| C47 | C46 | C45 | H19 | 180.0° | 180.0° |
| C46 | C47 | C48 | C43 | 0.4° | 0.6° |
| C47 | C46 | C45 | C44 | 0.7° | 0.0° |
| C47 | C46 | C45 | H18 | 179.3° | 180.0° |
| C46 | C47 | C48 | H21 | 179.6° | 180.0° |
| C48 | C47 | C46 | C45 | 0.3° | 0.3° |
| C47 | C48 | C43 | H21 | 180.0° | 179.4° |
| C47 | C48 | C43 | C44 | 0.9° | 0.6° |
| C47 | C48 | C43 | C42 | 179.3° | 179.7° |
| C48 | C47 | C46 | H19 | 179.7° | 179.7° |
| C46 | C45 | C44 | H18 | 180.0° | 180.0° |
| C46 | C45 | C44 | C43 | 0.2° | 0.0° |
| C46 | C45 | C44 | H17 | 179.8° | 180.0° |
| C45 | C46 | C47 | H20 | 179.7° | 180.0° |
| C48 | C43 | C42 | C40 | 76.7° | 90.3° |
| C48 | C43 | C44 | C45 | 0.5° | 0.3° |
| C48 | C43 | C44 | C42 | 179.9° | 179.7° |
| C48 | C43 | C42 | H15 | 43.6° | 149.7° |
| C48 | C43 | C42 | H16 | 162.9° | 29.7° |
| C48 | C43 | C44 | H17 | 179.5° | 179.7° |
| C43 | C48 | C47 | H20 | 179.6° | 179.7° |
| N39 | C40 | C42 | C43 | 173.0° | 94.9° |
| N39 | C40 | C41 | H14 | 178.8° | 179.9° |
| N39 | C40 | C42 | H15 | 66.7° | 25.1° |
| N39 | C40 | C42 | H16 | 52.6° | 145.0° |
| C40 | N39 | C49 | H22 | 178.4° | 90.1° |
| C40 | N39 | C49 | H23 | 58.4° | 149.9° |
| C40 | N39 | C49 | H24 | 61.6° | 30.0° |
| C42 | C40 | N39 | C49 | 0.5° | 0.0° |
| C40 | C42 | C43 | C44 | 103.2° | 90.0° |
| C40 | C42 | C43 | H15 | 120.3° | 120.0° |
| C40 | C42 | C43 | H16 | 120.4° | 120.0° |
| C42 | C40 | C41 | H14 | 2.0° | 0.1° |
| C40 | C42 | H15 | H16 | 119.0° | 120.0° |
| N39 | C49 | H22 | H23 | 120.0° | 120.0° |
| N39 | C49 | H22 | H24 | 120.0° | 120.0° |
| N39 | C49 | H23 | H24 | 120.0° | 120.0° |
| C45 | C44 | C43 | H17 | 180.0° | 180.0° |
| C45 | C44 | C43 | C42 | 179.6° | 180.0° |
| C44 | C45 | C46 | H19 | 179.3° | 180.0° |
| C44 | C43 | C42 | H15 | 136.5° | 30.0° |
| C44 | C43 | C42 | H16 | 17.2° | 150.0° |
| C43 | C44 | C45 | H18 | 179.8° | 180.0° |
| C44 | C43 | C48 | H21 | 179.2° | 180.0° |
| C43 | C42 | H15 | H16 | 118.9° | 120.0° |
| C42 | C43 | C44 | H17 | 0.4° | 0.0° |
| C42 | C43 | C48 | H21 | 0.7° | 0.2° |
| H2 | C4 | C3 | H3 | 0.5° | 0.0° |
| H5 | C20 | H6 | H7 | 120.0° | 119.9° |
| H5 | C20 | N18 | H25 | 0.0° | 120.0° |
| H6 | C20 | N18 | H25 | 120.0° | 0.0° |
| H7 | C20 | N18 | H25 | 120.0° | 120.0° |
| H8 | C28 | C29 | H9 | 0.2° | 0.1° |
| H10 | C31 | C32 | H11 | 1.2° | 0.1° |
| H12 | C33 | N34 | H26 | 30.4° | 120.0° |
| H13 | C33 | N34 | H26 | 150.0° | 120.0° |
| H17 | C44 | C45 | H18 | 0.2° | 0.0° |
| H18 | C45 | C46 | H19 | 0.7° | 0.0° |
| H19 | C46 | C47 | H20 | 0.3° | 0.0° |
| H20 | C47 | C48 | H21 | 0.4° | 0.3° |
| H22 | C49 | H23 | H24 | 120.0° | 120.1° |
