4NJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL3 | C57 | sing | 1.74Å | 1.79Å | |
| C57 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C58 | sing | 1.39Å | 1.38Å | Aromatic |
| C56 | C46 | sing | 1.39Å | 1.38Å | Aromatic |
| C58 | C59 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C45 | doub | 1.40Å | 1.47Å | Aromatic |
| C46 | N49 | sing | 1.38Å | 1.34Å | Aromatic |
| C59 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C44 | sing | 1.47Å | 1.47Å | Aromatic |
| N49 | C48 | sing | 1.36Å | 1.36Å | Aromatic |
| C44 | C48 | doub | 1.37Å | 1.39Å | Aromatic |
| C44 | C14 | sing | 1.46Å | 1.50Å | |
| O21 | C13 | sing | 1.43Å | 1.39Å | |
| C14 | C13 | sing | 1.51Å | 1.48Å | |
| C14 | C15 | doub | 1.35Å | 1.47Å | |
| C28 | C15 | sing | 1.51Å | 1.50Å | |
| C28 | C37 | sing | 1.51Å | 1.49Å | |
| C13 | C5 | sing | 1.53Å | 1.51Å | |
| C13 | N18 | sing | 1.47Å | 1.50Å | |
| C15 | C16 | sing | 1.41Å | 1.48Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C38 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C42 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| N18 | C16 | sing | 1.34Å | 1.33Å | |
| N18 | C19 | sing | 1.47Å | 1.46Å | |
| C16 | O20 | doub | 1.22Å | 1.30Å | |
| C39 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C40 | CL2 | sing | 1.74Å | 1.75Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | CL1 | sing | 1.74Å | 1.77Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| O21 | H10 | sing | 0.97Å | 0.95Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C38 | H13 | sing | 1.08Å | 1.08Å | |
| C39 | H14 | sing | 1.08Å | 1.08Å | |
| C41 | H15 | sing | 1.08Å | 1.08Å | |
| C42 | H16 | sing | 1.08Å | 1.08Å | |
| C48 | H17 | sing | 1.08Å | 1.08Å | |
| N49 | H18 | sing | 0.97Å | 1.00Å | |
| C56 | H19 | sing | 1.08Å | 1.08Å | |
| C58 | H20 | sing | 1.08Å | 1.08Å | |
| C59 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL3 | C57 | C56 | 120.8° | 119.7° |
| CL3 | C57 | C58 | 117.4° | 119.7° |
| C56 | C57 | C58 | 121.6° | 120.6° |
| C57 | C56 | C46 | 120.0° | 119.9° |
| C57 | C56 | H19 | 120.0° | 120.0° |
| C57 | C58 | C59 | 121.3° | 120.3° |
| C57 | C58 | H20 | 119.3° | 119.9° |
| C56 | C46 | C45 | 117.6° | 119.4° |
| C56 | C46 | N49 | 133.7° | 133.1° |
| C46 | C56 | H19 | 120.0° | 120.1° |
| C58 | C59 | C45 | 118.8° | 119.7° |
| C59 | C58 | H20 | 119.4° | 119.8° |
| C58 | C59 | H21 | 120.6° | 120.2° |
| C45 | C46 | N49 | 108.7° | 107.5° |
| C46 | C45 | C59 | 120.7° | 120.1° |
| C46 | C45 | C44 | 103.4° | 105.9° |
| C46 | N49 | C48 | 110.9° | 110.4° |
| C46 | N49 | H18 | 124.6° | 124.8° |
| C59 | C45 | C44 | 135.9° | 134.0° |
| C45 | C59 | H21 | 120.6° | 120.1° |
| C45 | C44 | C48 | 107.3° | 106.5° |
| C45 | C44 | C14 | 126.5° | 126.8° |
| N49 | C48 | C44 | 109.7° | 109.7° |
| N49 | C48 | H17 | 125.2° | 125.1° |
| C48 | N49 | H18 | 124.6° | 124.8° |
| C48 | C44 | C14 | 126.2° | 126.8° |
| C44 | C48 | H17 | 125.1° | 125.2° |
| C44 | C14 | C13 | 129.9° | 126.9° |
| C44 | C14 | C15 | 118.1° | 126.9° |
| O21 | C13 | C14 | 105.3° | 110.4° |
| O21 | C13 | C5 | 105.1° | 110.3° |
| O21 | C13 | N18 | 114.4° | 110.4° |
| C13 | O21 | H10 | 109.5° | 114.0° |
| C13 | C14 | C15 | 112.1° | 106.2° |
| C14 | C13 | C5 | 112.2° | 110.4° |
| C14 | C13 | N18 | 102.9° | 104.9° |
| C14 | C15 | C28 | 129.3° | 124.9° |
| C14 | C15 | C16 | 101.1° | 110.3° |
| C15 | C28 | C37 | 112.1° | 109.5° |
| C28 | C15 | C16 | 129.5° | 124.8° |
| C15 | C28 | H11 | 108.8° | 109.5° |
| C15 | C28 | H12 | 108.8° | 109.5° |
| C28 | C37 | C38 | 116.9° | 120.0° |
| C28 | C37 | C42 | 122.3° | 120.0° |
| C37 | C28 | H11 | 108.8° | 109.4° |
| C37 | C28 | H12 | 108.8° | 109.5° |
| C5 | C13 | N18 | 116.6° | 110.3° |
| C13 | C5 | C6 | 113.2° | 109.5° |
| C13 | C5 | H1 | 108.5° | 109.5° |
| C13 | C5 | H2 | 108.5° | 109.4° |
| C13 | N18 | C16 | 109.3° | 107.4° |
| C13 | N18 | C19 | 118.7° | 126.3° |
| C15 | C16 | N18 | 114.6° | 111.2° |
| C15 | C16 | O20 | 123.7° | 124.4° |
| C5 | C6 | C7 | 119.7° | 120.0° |
| C5 | C6 | C11 | 119.6° | 120.0° |
| C6 | C5 | H1 | 108.5° | 109.5° |
| C6 | C5 | H2 | 108.5° | 109.5° |
| C37 | C38 | C39 | 119.9° | 120.0° |
| C38 | C37 | C42 | 120.7° | 120.0° |
| C37 | C38 | H13 | 120.1° | 119.9° |
| C38 | C39 | C40 | 118.7° | 120.0° |
| C39 | C38 | H13 | 120.0° | 120.1° |
| C38 | C39 | H14 | 120.7° | 120.0° |
| C37 | C42 | C41 | 119.1° | 120.0° |
| C37 | C42 | H16 | 120.4° | 120.0° |
| C6 | C7 | C8 | 120.9° | 120.0° |
| C7 | C6 | C11 | 120.6° | 120.1° |
| C6 | C7 | H3 | 119.5° | 120.0° |
| C7 | C8 | C9 | 117.2° | 120.0° |
| C8 | C7 | H3 | 119.6° | 120.0° |
| C7 | C8 | H4 | 121.4° | 120.0° |
| C16 | N18 | C19 | 131.9° | 126.4° |
| N18 | C16 | O20 | 121.6° | 124.4° |
| N18 | C19 | H7 | 109.5° | 109.5° |
| N18 | C19 | H8 | 109.5° | 109.4° |
| N18 | C19 | H9 | 109.5° | 109.5° |
| C39 | C40 | C41 | 123.3° | 120.0° |
| C39 | C40 | CL2 | 115.4° | 120.0° |
| C40 | C39 | H14 | 120.6° | 120.0° |
| C6 | C11 | C10 | 118.9° | 120.0° |
| C6 | C11 | H6 | 120.5° | 120.0° |
| C8 | C9 | C10 | 121.8° | 120.0° |
| C8 | C9 | CL1 | 118.7° | 120.0° |
| C9 | C8 | H4 | 121.4° | 120.0° |
| C42 | C41 | C40 | 118.3° | 120.0° |
| C42 | C41 | H15 | 120.9° | 120.0° |
| C41 | C42 | H16 | 120.5° | 120.0° |
| C41 | C40 | CL2 | 121.1° | 120.0° |
| C40 | C41 | H15 | 120.8° | 120.1° |
| C11 | C10 | C9 | 120.5° | 120.0° |
| C11 | C10 | H5 | 119.7° | 120.0° |
| C10 | C11 | H6 | 120.5° | 120.0° |
| C10 | C9 | CL1 | 119.6° | 120.1° |
| C9 | C10 | H5 | 119.8° | 119.9° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H7 | C19 | H9 | 109.4° | 109.5° |
| H8 | C19 | H9 | 109.4° | 109.5° |
| H11 | C28 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL3 | C57 | C56 | C58 | 175.4° | 179.9° |
| CL3 | C57 | C56 | C46 | 177.3° | 180.0° |
| CL3 | C57 | C58 | C59 | 177.3° | 180.0° |
| CL3 | C57 | C56 | H19 | 2.7° | 0.0° |
| CL3 | C57 | C58 | H20 | 2.7° | 0.0° |
| C57 | C56 | C46 | H19 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 1.8° | 0.1° |
| C57 | C56 | C46 | C45 | 0.2° | 0.0° |
| C57 | C56 | C46 | N49 | 179.4° | 179.9° |
| C56 | C57 | C58 | H20 | 178.2° | 179.9° |
| C58 | C57 | C56 | C46 | 1.9° | 0.1° |
| C57 | C58 | C59 | H20 | 180.0° | 180.0° |
| C57 | C58 | C59 | C45 | 0.2° | 0.1° |
| C58 | C57 | C56 | H19 | 178.1° | 179.9° |
| C57 | C58 | C59 | H21 | 179.8° | 180.0° |
| C56 | C46 | C45 | N49 | 179.4° | 179.9° |
| C56 | C46 | C45 | C59 | 1.7° | 0.0° |
| C56 | C46 | C45 | C44 | 179.3° | 180.0° |
| C56 | C46 | N49 | C48 | 179.5° | 180.0° |
| C56 | C46 | N49 | H18 | 0.5° | 0.2° |
| C58 | C59 | C45 | C46 | 1.9° | 0.0° |
| C58 | C59 | C45 | H21 | 180.0° | 180.0° |
| C58 | C59 | C45 | C44 | 179.5° | 180.0° |
| C46 | C45 | C59 | C44 | 178.6° | 180.0° |
| C45 | C46 | N49 | C48 | 1.2° | 0.1° |
| C46 | C45 | C44 | C48 | 0.9° | 0.0° |
| C46 | C45 | C44 | C14 | 178.4° | 179.8° |
| C45 | C46 | N49 | H18 | 178.8° | 179.9° |
| C45 | C46 | C56 | H19 | 179.8° | 179.9° |
| C46 | C45 | C59 | H21 | 178.1° | 180.0° |
| N49 | C46 | C45 | C59 | 177.7° | 180.0° |
| N49 | C46 | C45 | C44 | 1.3° | 0.1° |
| C46 | N49 | C48 | H18 | 180.0° | 179.9° |
| C46 | N49 | C48 | C44 | 0.6° | 0.1° |
| C46 | N49 | C48 | H17 | 179.4° | 179.7° |
| N49 | C46 | C56 | H19 | 0.6° | 0.0° |
| C59 | C45 | C44 | C48 | 177.8° | 180.0° |
| C59 | C45 | C44 | C14 | 0.4° | 0.3° |
| C45 | C59 | C58 | H20 | 179.8° | 180.0° |
| C45 | C44 | C48 | N49 | 0.3° | 0.0° |
| C45 | C44 | C48 | C14 | 177.5° | 179.7° |
| C45 | C44 | C14 | C13 | 45.4° | 106.1° |
| C45 | C44 | C14 | C15 | 134.3° | 73.9° |
| C45 | C44 | C48 | H17 | 179.7° | 179.7° |
| C44 | C45 | C59 | H21 | 0.5° | 0.0° |
| N49 | C48 | C44 | H17 | 180.0° | 179.6° |
| N49 | C48 | C44 | C14 | 177.7° | 179.7° |
| C48 | C44 | C14 | C13 | 137.6° | 74.2° |
| C48 | C44 | C14 | C15 | 42.7° | 105.8° |
| C44 | C48 | N49 | H18 | 179.4° | 179.9° |
| C44 | C14 | C13 | O21 | 60.1° | 61.1° |
| C44 | C14 | C13 | C15 | 179.8° | 180.0° |
| C44 | C14 | C15 | C28 | 1.3° | 0.0° |
| C44 | C14 | C13 | C5 | 53.7° | 61.1° |
| C44 | C14 | C13 | N18 | 179.8° | 180.0° |
| C44 | C14 | C15 | C16 | 178.4° | 180.0° |
| C14 | C44 | C48 | H17 | 2.3° | 0.1° |
| O21 | C13 | C14 | C5 | 113.8° | 122.3° |
| O21 | C13 | C14 | N18 | 120.1° | 118.9° |
| O21 | C13 | C14 | C15 | 119.7° | 118.9° |
| O21 | C13 | C5 | N18 | 127.9° | 122.2° |
| O21 | C13 | C5 | C6 | 173.1° | 56.1° |
| O21 | C13 | N18 | C16 | 114.9° | 119.0° |
| O21 | C13 | N18 | C19 | 65.4° | 61.0° |
| O21 | C13 | C5 | H1 | 66.3° | 176.1° |
| O21 | C13 | C5 | H2 | 52.6° | 63.9° |
| C13 | C14 | C15 | C28 | 178.9° | 180.0° |
| C14 | C13 | C5 | N18 | 118.2° | 115.5° |
| C13 | C14 | C15 | C16 | 1.8° | 0.0° |
| C14 | C13 | C5 | C6 | 59.2° | 178.4° |
| C14 | C13 | N18 | C16 | 1.3° | 0.0° |
| C14 | C13 | N18 | C19 | 179.1° | 180.0° |
| C14 | C13 | C5 | H1 | 179.8° | 61.6° |
| C14 | C13 | C5 | H2 | 61.3° | 58.5° |
| C14 | C13 | O21 | H10 | 180.0° | 178.4° |
| C14 | C15 | C28 | C16 | 176.3° | 179.9° |
| C14 | C15 | C28 | C37 | 92.2° | 93.9° |
| C15 | C14 | C13 | C5 | 126.5° | 118.8° |
| C15 | C14 | C13 | N18 | 0.4° | 0.0° |
| C14 | C15 | C16 | N18 | 2.7° | 0.0° |
| C14 | C15 | C16 | O20 | 179.3° | 180.0° |
| C14 | C15 | C28 | H11 | 28.2° | 26.0° |
| C14 | C15 | C28 | H12 | 147.4° | 146.1° |
| C15 | C28 | C37 | H11 | 120.4° | 120.0° |
| C15 | C28 | C37 | H12 | 120.4° | 120.0° |
| C15 | C28 | C37 | C38 | 157.5° | 84.9° |
| C15 | C28 | C37 | C42 | 25.0° | 94.9° |
| C28 | C15 | C16 | N18 | 179.8° | 180.0° |
| C28 | C15 | C16 | O20 | 3.6° | 0.0° |
| C15 | C28 | H11 | H12 | 118.8° | 120.1° |
| C37 | C28 | C15 | C16 | 84.1° | 86.0° |
| C28 | C37 | C38 | C42 | 177.5° | 179.8° |
| C28 | C37 | C38 | C39 | 178.9° | 180.0° |
| C28 | C37 | C42 | C41 | 179.8° | 179.7° |
| C37 | C28 | H11 | H12 | 118.8° | 120.0° |
| C28 | C37 | C38 | H13 | 1.1° | 0.0° |
| C28 | C37 | C42 | H16 | 0.2° | 0.1° |
| C13 | C5 | C6 | H1 | 120.6° | 120.0° |
| C13 | C5 | C6 | H2 | 120.6° | 120.0° |
| C13 | C5 | C6 | C7 | 98.1° | 97.4° |
| C5 | C13 | N18 | C16 | 121.9° | 118.9° |
| C5 | C13 | N18 | C19 | 57.7° | 61.1° |
| C13 | C5 | C6 | C11 | 83.2° | 82.3° |
| C13 | C5 | H1 | H2 | 118.3° | 120.0° |
| C5 | C13 | O21 | H10 | 61.4° | 59.3° |
| C13 | N18 | C16 | C15 | 2.6° | 0.0° |
| N18 | C13 | C5 | C6 | 59.0° | 66.1° |
| C13 | N18 | C16 | C19 | 179.6° | 180.0° |
| C13 | N18 | C16 | O20 | 179.2° | 180.0° |
| N18 | C13 | C5 | H1 | 61.5° | 53.9° |
| N18 | C13 | C5 | H2 | 179.6° | 173.9° |
| C13 | N18 | C19 | H7 | 180.0° | 95.3° |
| C13 | N18 | C19 | H8 | 60.0° | 144.8° |
| C13 | N18 | C19 | H9 | 60.0° | 24.8° |
| N18 | C13 | O21 | H10 | 67.8° | 62.9° |
| C15 | C16 | N18 | O20 | 176.6° | 180.0° |
| C15 | C16 | N18 | C19 | 177.8° | 180.0° |
| C16 | C15 | C28 | H11 | 155.5° | 154.0° |
| C16 | C15 | C28 | H12 | 36.3° | 34.0° |
| C5 | C6 | C7 | C11 | 178.7° | 179.7° |
| C5 | C6 | C7 | C8 | 178.0° | 180.0° |
| C5 | C6 | C11 | C10 | 179.8° | 179.7° |
| C6 | C5 | H1 | H2 | 118.3° | 120.0° |
| C5 | C6 | C7 | H3 | 2.0° | 0.0° |
| C5 | C6 | C11 | H6 | 0.2° | 0.0° |
| C37 | C38 | C39 | H13 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.6° | 0.0° |
| C38 | C37 | C42 | C41 | 2.8° | 0.5° |
| C38 | C37 | C28 | H11 | 37.1° | 155.1° |
| C38 | C37 | C28 | H12 | 82.1° | 35.2° |
| C37 | C38 | C39 | H14 | 179.3° | 180.0° |
| C38 | C37 | C42 | H16 | 177.2° | 179.7° |
| C39 | C38 | C37 | C42 | 1.4° | 0.2° |
| C38 | C39 | C40 | H14 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 1.3° | 0.0° |
| C38 | C39 | C40 | CL2 | 176.1° | 180.0° |
| C37 | C42 | C41 | H16 | 180.0° | 179.9° |
| C37 | C42 | C41 | C40 | 2.2° | 0.5° |
| C42 | C37 | C28 | H11 | 145.5° | 25.1° |
| C42 | C37 | C28 | H12 | 95.3° | 145.0° |
| C42 | C37 | C38 | H13 | 178.6° | 179.8° |
| C37 | C42 | C41 | H15 | 177.8° | 179.8° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.4° | 0.0° |
| C7 | C6 | C11 | C10 | 1.1° | 0.5° |
| C7 | C6 | C5 | H1 | 141.4° | 22.6° |
| C7 | C6 | C5 | H2 | 22.5° | 142.6° |
| C6 | C7 | C8 | H4 | 178.6° | 179.9° |
| C7 | C6 | C11 | H6 | 178.9° | 179.7° |
| C8 | C7 | C6 | C11 | 0.7° | 0.3° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C7 | C8 | C9 | CL1 | 179.4° | 180.0° |
| C16 | N18 | C19 | H7 | 0.4° | 84.7° |
| C16 | N18 | C19 | H8 | 120.5° | 35.2° |
| C16 | N18 | C19 | H9 | 119.5° | 155.2° |
| C19 | N18 | C16 | O20 | 1.2° | 0.0° |
| N18 | C19 | H7 | H8 | 120.0° | 119.9° |
| N18 | C19 | H7 | H9 | 120.0° | 120.0° |
| N18 | C19 | H8 | H9 | 120.0° | 120.0° |
| C39 | C40 | C41 | C42 | 0.2° | 0.2° |
| C39 | C40 | C41 | CL2 | 174.6° | 180.0° |
| C40 | C39 | C38 | H13 | 179.4° | 180.0° |
| C39 | C40 | C41 | H15 | 179.8° | 180.0° |
| C6 | C11 | C10 | H6 | 180.0° | 179.8° |
| C6 | C11 | C10 | C9 | 2.2° | 0.6° |
| C11 | C6 | C5 | H1 | 37.3° | 157.6° |
| C11 | C6 | C5 | H2 | 156.2° | 37.7° |
| C11 | C6 | C7 | H3 | 179.3° | 179.8° |
| C6 | C11 | C10 | H5 | 177.8° | 179.8° |
| C8 | C9 | C10 | C11 | 1.6° | 0.3° |
| C8 | C9 | C10 | CL1 | 179.2° | 179.9° |
| C9 | C8 | C7 | H3 | 178.7° | 180.0° |
| C8 | C9 | C10 | H5 | 178.5° | 180.0° |
| C42 | C41 | C40 | H15 | 180.0° | 179.8° |
| C42 | C41 | C40 | CL2 | 174.4° | 179.8° |
| C41 | C40 | C39 | H14 | 178.7° | 180.0° |
| C40 | C41 | C42 | H16 | 177.8° | 179.7° |
| CL2 | C40 | C39 | H14 | 3.8° | 0.0° |
| CL2 | C40 | C41 | H15 | 5.6° | 0.0° |
| C11 | C10 | C9 | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | CL1 | 177.6° | 179.7° |
| C10 | C9 | C8 | H4 | 179.7° | 179.9° |
| C9 | C10 | C11 | H6 | 177.8° | 179.7° |
| CL1 | C9 | C8 | H4 | 0.5° | 0.0° |
| CL1 | C9 | C10 | H5 | 2.3° | 0.1° |
| H3 | C7 | C8 | H4 | 1.3° | 0.0° |
| H5 | C10 | C11 | H6 | 2.2° | 0.0° |
| H7 | C19 | H8 | H9 | 119.9° | 120.1° |
| H13 | C38 | C39 | H14 | 0.6° | 0.0° |
| H15 | C41 | C42 | H16 | 2.2° | 0.1° |
| H17 | C48 | N49 | H18 | 0.6° | 0.5° |
| H20 | C58 | C59 | H21 | 0.2° | 0.0° |
