I73
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| N10 | C11 | sing | 1.47Å | 1.49Å | |
| N10 | C3 | sing | 1.38Å | 1.36Å | |
| N1 | C9 | doub | 1.31Å | 1.38Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | N2 | sing | 1.37Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.43Å | Aromatic |
| N2 | C7 | sing | 1.37Å | 1.32Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.36Å | Aromatic |
| C8 | C26 | sing | 1.51Å | 1.50Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | N6 | sing | 1.34Å | 1.39Å | Aromatic |
| C5 | N6 | doub | 1.32Å | 1.36Å | Aromatic |
| C5 | N18 | sing | 1.39Å | 1.37Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| N18 | C40 | sing | 1.46Å | 1.47Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C41 | C46 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C46 | C45 | sing | 1.53Å | 1.55Å | |
| C45 | N44 | sing | 1.47Å | 1.46Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | O1 | sing | 1.43Å | 1.48Å | |
| C43 | N44 | sing | 1.47Å | 1.48Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C42 | H2 | sing | 1.09Å | 1.10Å | |
| C43 | H3 | sing | 1.09Å | 1.10Å | |
| C43 | H4 | sing | 1.09Å | 1.10Å | |
| N44 | H5 | sing | 1.01Å | 1.00Å | |
| C45 | H7 | sing | 1.09Å | 1.10Å | |
| C45 | H8 | sing | 1.09Å | 1.10Å | |
| C46 | H9 | sing | 1.09Å | 1.10Å | |
| C46 | H10 | sing | 1.09Å | 1.10Å | |
| C41 | H11 | sing | 1.09Å | 1.10Å | |
| C40 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| N18 | H14 | sing | 0.97Å | 1.00Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| N10 | H24 | sing | 0.97Å | 1.00Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C15 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H30 | sing | 1.08Å | 1.08Å | |
| C13 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.7° | 120.0° |
| C14 | C15 | C16 | 118.2° | 120.0° |
| C14 | C15 | H29 | 120.9° | 120.0° |
| C15 | C14 | H30 | 119.6° | 120.0° |
| C14 | C13 | C12 | 121.8° | 120.0° |
| C13 | C14 | H30 | 119.7° | 120.0° |
| C14 | C13 | H31 | 119.1° | 119.9° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C15 | C16 | H28 | 120.0° | 120.0° |
| C16 | C15 | H29 | 120.9° | 120.0° |
| C13 | C12 | C17 | 118.3° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C12 | C13 | H31 | 119.1° | 120.0° |
| C16 | C17 | C12 | 121.0° | 120.0° |
| C16 | C17 | H27 | 119.5° | 120.0° |
| C17 | C16 | H28 | 120.0° | 120.0° |
| C17 | C12 | C11 | 121.5° | 120.0° |
| C12 | C17 | H27 | 119.5° | 120.0° |
| C12 | C11 | N10 | 111.2° | 109.5° |
| C12 | C11 | H25 | 109.0° | 109.5° |
| C12 | C11 | H26 | 109.0° | 109.5° |
| C11 | N10 | C3 | 118.4° | 120.0° |
| C11 | N10 | H24 | 107.2° | 120.0° |
| N10 | C11 | H25 | 109.0° | 109.5° |
| N10 | C11 | H26 | 109.0° | 109.4° |
| N10 | C3 | N2 | 121.3° | 120.4° |
| N10 | C3 | C4 | 121.1° | 120.5° |
| C3 | N10 | H24 | 107.2° | 120.0° |
| C9 | N1 | N2 | 105.7° | 108.8° |
| N1 | C9 | C8 | 104.0° | 109.0° |
| N1 | C9 | H16 | 128.0° | 125.5° |
| N1 | N2 | C3 | 129.4° | 132.4° |
| N1 | N2 | C7 | 113.3° | 107.7° |
| C9 | C8 | C7 | 113.5° | 107.6° |
| C9 | C8 | C26 | 137.3° | 126.2° |
| C8 | C9 | H16 | 128.0° | 125.5° |
| N2 | C3 | C4 | 117.6° | 119.1° |
| C3 | N2 | C7 | 117.3° | 119.8° |
| C3 | C4 | C5 | 123.2° | 119.3° |
| C3 | C4 | H15 | 118.4° | 120.3° |
| N2 | C7 | C8 | 103.4° | 106.9° |
| N2 | C7 | N6 | 128.4° | 120.7° |
| C7 | C8 | C26 | 108.7° | 126.2° |
| C8 | C7 | N6 | 128.2° | 132.5° |
| C8 | C26 | C27 | 121.5° | 109.5° |
| C8 | C26 | C28 | 115.5° | 109.5° |
| C8 | C26 | H17 | 97.5° | 109.4° |
| C27 | C26 | C28 | 118.0° | 109.5° |
| C27 | C26 | H17 | 97.4° | 109.5° |
| C26 | C27 | H21 | 109.5° | 109.5° |
| C26 | C27 | H22 | 109.5° | 109.5° |
| C26 | C27 | H23 | 109.5° | 109.5° |
| C4 | C5 | N6 | 116.7° | 120.2° |
| C4 | C5 | N18 | 122.2° | 119.9° |
| C5 | C4 | H15 | 118.4° | 120.3° |
| C7 | N6 | C5 | 116.7° | 120.9° |
| N6 | C5 | N18 | 121.1° | 119.9° |
| C5 | N18 | C40 | 123.4° | 120.0° |
| C5 | N18 | H14 | 105.9° | 120.0° |
| C28 | C26 | H17 | 97.4° | 109.5° |
| C26 | C28 | H18 | 109.5° | 109.5° |
| C26 | C28 | H19 | 109.5° | 109.5° |
| C26 | C28 | H20 | 109.5° | 109.5° |
| N18 | C40 | C41 | 117.1° | 109.5° |
| N18 | C40 | H12 | 107.5° | 109.5° |
| N18 | C40 | H13 | 107.5° | 109.5° |
| C40 | N18 | H14 | 105.9° | 120.0° |
| C40 | C41 | C46 | 106.8° | 109.5° |
| C40 | C41 | C42 | 116.0° | 109.5° |
| C40 | C41 | H11 | 108.0° | 109.5° |
| C41 | C40 | H12 | 107.6° | 109.5° |
| C41 | C40 | H13 | 107.6° | 109.5° |
| C46 | C41 | C42 | 109.6° | 109.2° |
| C41 | C46 | C45 | 114.3° | 109.3° |
| C41 | C46 | H9 | 108.2° | 109.4° |
| C41 | C46 | H10 | 108.2° | 109.6° |
| C46 | C41 | H11 | 108.2° | 109.6° |
| C41 | C42 | C43 | 110.4° | 109.3° |
| C41 | C42 | O1 | 111.9° | 109.5° |
| C41 | C42 | H2 | 108.4° | 109.5° |
| C42 | C41 | H11 | 108.0° | 109.5° |
| C46 | C45 | N44 | 110.3° | 109.5° |
| C46 | C45 | H7 | 109.2° | 109.5° |
| C46 | C45 | H8 | 109.2° | 109.5° |
| C45 | C46 | H9 | 108.2° | 109.5° |
| C45 | C46 | H10 | 108.2° | 109.5° |
| C45 | N44 | C43 | 117.3° | 111.2° |
| C45 | N44 | H5 | 107.5° | 111.0° |
| N44 | C45 | H7 | 109.3° | 109.5° |
| N44 | C45 | H8 | 109.3° | 109.5° |
| C43 | C42 | O1 | 108.1° | 109.5° |
| C42 | C43 | N44 | 109.8° | 109.5° |
| C43 | C42 | H2 | 108.6° | 109.4° |
| C42 | C43 | H3 | 109.4° | 109.4° |
| C42 | C43 | H4 | 109.4° | 109.5° |
| C42 | O1 | H1 | 109.5° | 114.0° |
| O1 | C42 | H2 | 109.3° | 109.5° |
| N44 | C43 | H3 | 109.4° | 109.5° |
| N44 | C43 | H4 | 109.4° | 109.5° |
| C43 | N44 | H5 | 107.5° | 111.0° |
| H3 | C43 | H4 | 109.5° | 109.5° |
| H7 | C45 | H8 | 109.5° | 109.5° |
| H9 | C46 | H10 | 109.5° | 109.5° |
| H12 | C40 | H13 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.5° | 109.4° |
| H18 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.4° | 109.4° |
| H21 | C27 | H22 | 109.4° | 109.4° |
| H21 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.4° |
| H25 | C11 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H30 | 180.0° | 179.7° |
| C14 | C15 | C16 | H29 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.6° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H28 | 180.0° | 180.0° |
| C15 | C14 | C13 | H31 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.3° |
| C14 | C13 | C12 | H31 | 180.0° | 179.3° |
| C14 | C13 | C12 | C17 | 0.7° | 0.7° |
| C14 | C13 | C12 | C11 | 179.0° | 179.7° |
| C13 | C14 | C15 | H29 | 179.8° | 179.7° |
| C15 | C16 | C17 | H28 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.6° | 0.0° |
| C15 | C16 | C17 | H27 | 179.4° | 180.0° |
| C16 | C15 | C14 | H30 | 179.7° | 180.0° |
| C13 | C12 | C17 | C16 | 0.9° | 0.4° |
| C13 | C12 | C17 | C11 | 178.3° | 179.6° |
| C13 | C12 | C11 | N10 | 62.7° | 90.3° |
| C13 | C12 | C11 | H25 | 177.0° | 149.6° |
| C13 | C12 | C11 | H26 | 57.5° | 29.6° |
| C13 | C12 | C17 | H27 | 179.1° | 179.7° |
| C12 | C13 | C14 | H30 | 179.9° | 179.6° |
| C16 | C17 | C12 | H27 | 180.0° | 179.9° |
| C16 | C17 | C12 | C11 | 179.2° | 180.0° |
| C17 | C16 | C15 | H29 | 180.0° | 180.0° |
| C17 | C12 | C11 | N10 | 115.5° | 90.1° |
| C17 | C12 | C11 | H25 | 4.7° | 30.0° |
| C17 | C12 | C11 | H26 | 124.2° | 150.0° |
| C12 | C17 | C16 | H28 | 179.4° | 179.9° |
| C17 | C12 | C13 | H31 | 179.3° | 180.0° |
| C12 | C11 | N10 | H25 | 120.3° | 120.1° |
| C12 | C11 | N10 | H26 | 120.3° | 120.0° |
| C12 | C11 | N10 | C3 | 99.6° | 180.0° |
| C12 | C11 | N10 | H24 | 139.1° | 0.0° |
| C12 | C11 | H25 | H26 | 119.2° | 120.0° |
| C11 | C12 | C17 | H27 | 0.8° | 0.0° |
| C11 | C12 | C13 | H31 | 1.0° | 0.4° |
| C11 | N10 | C3 | H24 | 121.3° | 180.0° |
| C11 | N10 | C3 | N2 | 158.3° | 180.0° |
| C11 | N10 | C3 | C4 | 22.5° | 0.0° |
| N10 | C11 | H25 | H26 | 119.2° | 119.9° |
| N10 | C3 | N2 | N1 | 1.1° | 0.1° |
| N10 | C3 | N2 | C4 | 179.2° | 179.9° |
| N10 | C3 | N2 | C7 | 179.4° | 180.0° |
| N10 | C3 | C4 | C5 | 179.8° | 180.0° |
| N10 | C3 | C4 | H15 | 0.2° | 0.0° |
| C3 | N10 | C11 | H25 | 20.7° | 60.0° |
| C3 | N10 | C11 | H26 | 140.2° | 60.0° |
| N1 | C9 | C8 | H16 | 180.0° | 180.0° |
| C9 | N1 | N2 | C3 | 178.0° | 180.0° |
| C9 | N1 | N2 | C7 | 0.4° | 0.0° |
| N1 | C9 | C8 | C7 | 3.6° | 0.0° |
| N1 | C9 | C8 | C26 | 173.7° | 179.9° |
| N2 | N1 | C9 | C8 | 2.2° | 0.0° |
| N1 | N2 | C3 | C7 | 178.3° | 180.0° |
| N1 | N2 | C3 | C4 | 179.7° | 180.0° |
| N1 | N2 | C7 | C8 | 1.7° | 0.0° |
| N1 | N2 | C7 | N6 | 179.9° | 180.0° |
| N2 | N1 | C9 | H16 | 177.8° | 180.0° |
| C9 | C8 | C7 | N2 | 3.3° | 0.0° |
| C9 | C8 | C7 | C26 | 173.0° | 180.0° |
| C9 | C8 | C26 | C27 | 93.6° | 60.0° |
| C9 | C8 | C7 | N6 | 178.5° | 180.0° |
| C9 | C8 | C26 | C28 | 61.0° | 60.0° |
| C9 | C8 | C26 | H17 | 162.9° | 180.0° |
| C3 | N2 | C7 | C8 | 179.7° | 180.0° |
| N2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C3 | N2 | C7 | N6 | 1.5° | 0.0° |
| N2 | C3 | C4 | H15 | 179.1° | 179.9° |
| N2 | C3 | N10 | H24 | 37.0° | 0.1° |
| C4 | C3 | N2 | C7 | 1.4° | 0.0° |
| C3 | C4 | C5 | H15 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 0.3° | 0.0° |
| C3 | C4 | C5 | N18 | 179.5° | 179.7° |
| C4 | C3 | N10 | H24 | 143.8° | 180.0° |
| N2 | C7 | C8 | N6 | 178.2° | 180.0° |
| N2 | C7 | C8 | C26 | 176.3° | 180.0° |
| N2 | C7 | N6 | C5 | 0.9° | 0.1° |
| C7 | C8 | C26 | C27 | 95.9° | 119.9° |
| C8 | C7 | N6 | C5 | 178.7° | 180.0° |
| C7 | C8 | C26 | C28 | 109.5° | 120.0° |
| C7 | C8 | C9 | H16 | 176.4° | 180.0° |
| C7 | C8 | C26 | H17 | 7.6° | 0.0° |
| C8 | C26 | C27 | C28 | 154.0° | 120.0° |
| C8 | C26 | C27 | H17 | 103.6° | 120.0° |
| C26 | C8 | C7 | N6 | 5.5° | 0.0° |
| C8 | C26 | C28 | H17 | 102.0° | 120.0° |
| C26 | C8 | C9 | H16 | 6.2° | 0.0° |
| C8 | C26 | C28 | H18 | 180.0° | 60.1° |
| C8 | C26 | C28 | H19 | 60.0° | 180.0° |
| C8 | C26 | C28 | H20 | 60.0° | 60.0° |
| C8 | C26 | C27 | H21 | 180.0° | 60.0° |
| C8 | C26 | C27 | H22 | 60.0° | 180.0° |
| C8 | C26 | C27 | H23 | 60.0° | 60.0° |
| C27 | C26 | C28 | H17 | 102.5° | 120.0° |
| C27 | C26 | C28 | H18 | 24.5° | 60.0° |
| C27 | C26 | C28 | H19 | 144.5° | 60.0° |
| C27 | C26 | C28 | H20 | 95.5° | 180.0° |
| C26 | C27 | H21 | H22 | 120.0° | 120.0° |
| C26 | C27 | H21 | H23 | 120.0° | 120.0° |
| C26 | C27 | H22 | H23 | 120.0° | 120.0° |
| C4 | C5 | N6 | C7 | 0.3° | 0.1° |
| C4 | C5 | N6 | N18 | 179.8° | 179.7° |
| C4 | C5 | N18 | C40 | 174.0° | 179.7° |
| C4 | C5 | N18 | H14 | 52.1° | 0.2° |
| C7 | N6 | C5 | N18 | 179.6° | 179.8° |
| N6 | C5 | N18 | C40 | 6.2° | 0.0° |
| N6 | C5 | N18 | H14 | 128.1° | 179.9° |
| N6 | C5 | C4 | H15 | 179.7° | 180.0° |
| C5 | N18 | C40 | H14 | 121.9° | 179.9° |
| C5 | N18 | C40 | C41 | 127.0° | 180.0° |
| C5 | N18 | C40 | H12 | 5.9° | 59.9° |
| C5 | N18 | C40 | H13 | 111.9° | 60.1° |
| N18 | C5 | C4 | H15 | 0.5° | 0.3° |
| C26 | C28 | H18 | H19 | 120.0° | 120.0° |
| C26 | C28 | H18 | H20 | 120.0° | 120.1° |
| C26 | C28 | H19 | H20 | 120.0° | 120.1° |
| C28 | C26 | C27 | H21 | 26.0° | 180.0° |
| C28 | C26 | C27 | H22 | 94.0° | 60.0° |
| C28 | C26 | C27 | H23 | 146.1° | 60.0° |
| N18 | C40 | C41 | H12 | 121.1° | 120.0° |
| N18 | C40 | C41 | H13 | 121.1° | 120.0° |
| N18 | C40 | C41 | C46 | 169.1° | 65.0° |
| N18 | C40 | C41 | C42 | 68.4° | 175.2° |
| N18 | C40 | C41 | H11 | 52.9° | 55.2° |
| N18 | C40 | H12 | H13 | 116.5° | 120.0° |
| C40 | C41 | C46 | C42 | 126.4° | 119.9° |
| C40 | C41 | C46 | H11 | 116.1° | 120.2° |
| C40 | C41 | C42 | H11 | 121.4° | 120.1° |
| C40 | C41 | C46 | C45 | 75.2° | 177.6° |
| C40 | C41 | C42 | C43 | 64.9° | 177.5° |
| C40 | C41 | C42 | O1 | 174.6° | 62.5° |
| C40 | C41 | C42 | H2 | 53.9° | 57.7° |
| C40 | C41 | C46 | H9 | 45.5° | 62.5° |
| C40 | C41 | C46 | H10 | 164.1° | 57.6° |
| C41 | C40 | H12 | H13 | 116.6° | 120.0° |
| C41 | C40 | N18 | H14 | 111.1° | 0.1° |
| C46 | C41 | C42 | H11 | 117.6° | 120.0° |
| C41 | C46 | C45 | H9 | 120.7° | 119.9° |
| C41 | C46 | C45 | H10 | 120.7° | 120.0° |
| C41 | C46 | C45 | N44 | 46.9° | 59.2° |
| C46 | C41 | C42 | C43 | 56.1° | 57.6° |
| C46 | C41 | C42 | O1 | 64.4° | 177.6° |
| C46 | C41 | C42 | H2 | 174.9° | 62.3° |
| C41 | C46 | C45 | H7 | 73.3° | 60.8° |
| C41 | C46 | C45 | H8 | 167.0° | 179.2° |
| C41 | C46 | H9 | H10 | 117.8° | 120.1° |
| C46 | C41 | C40 | H12 | 69.9° | 55.0° |
| C46 | C41 | C40 | H13 | 48.0° | 175.0° |
| C42 | C41 | C46 | C45 | 51.2° | 57.7° |
| C41 | C42 | C43 | O1 | 122.7° | 120.0° |
| C41 | C42 | C43 | H2 | 118.7° | 119.9° |
| C41 | C42 | O1 | H2 | 120.1° | 120.2° |
| C41 | C42 | C43 | N44 | 57.7° | 59.1° |
| C41 | C42 | O1 | H1 | 180.0° | 179.8° |
| C41 | C42 | C43 | H3 | 177.8° | 60.9° |
| C41 | C42 | C43 | H4 | 62.3° | 179.1° |
| C42 | C41 | C46 | H9 | 171.9° | 177.6° |
| C42 | C41 | C46 | H10 | 69.5° | 62.3° |
| C42 | C41 | C40 | H12 | 52.6° | 64.7° |
| C42 | C41 | C40 | H13 | 170.5° | 55.3° |
| C46 | C45 | N44 | H7 | 120.1° | 120.0° |
| C46 | C45 | N44 | H8 | 120.1° | 120.0° |
| C46 | C45 | N44 | C43 | 50.1° | 61.8° |
| C46 | C45 | N44 | H5 | 171.2° | 62.4° |
| C46 | C45 | H7 | H8 | 119.6° | 120.0° |
| C45 | C46 | H9 | H10 | 117.8° | 120.1° |
| C45 | C46 | C41 | H11 | 168.7° | 62.2° |
| C45 | N44 | C43 | C42 | 56.7° | 61.7° |
| C45 | N44 | C43 | H5 | 121.1° | 124.1° |
| C45 | N44 | C43 | H3 | 176.8° | 58.2° |
| C45 | N44 | C43 | H4 | 63.3° | 178.3° |
| N44 | C45 | H7 | H8 | 119.7° | 120.0° |
| N44 | C45 | C46 | H9 | 167.6° | 179.1° |
| N44 | C45 | C46 | H10 | 73.8° | 60.8° |
| C43 | C42 | O1 | H2 | 118.1° | 120.0° |
| C42 | C43 | N44 | H3 | 120.0° | 120.0° |
| C42 | C43 | N44 | H4 | 120.0° | 120.0° |
| C43 | C42 | O1 | H1 | 58.2° | 59.9° |
| C42 | C43 | H3 | H4 | 119.9° | 120.0° |
| C42 | C43 | N44 | H5 | 177.8° | 62.4° |
| C43 | C42 | C41 | H11 | 173.7° | 62.3° |
| O1 | C42 | C43 | N44 | 65.0° | 179.1° |
| O1 | C42 | C43 | H3 | 55.0° | 59.1° |
| O1 | C42 | C43 | H4 | 175.0° | 60.9° |
| O1 | C42 | C41 | H11 | 53.2° | 57.6° |
| N44 | C43 | C42 | H2 | 176.5° | 60.8° |
| N44 | C43 | H3 | H4 | 119.9° | 120.0° |
| C43 | N44 | C45 | H7 | 70.0° | 58.3° |
| C43 | N44 | C45 | H8 | 170.2° | 178.2° |
| H1 | O1 | C42 | H2 | 59.9° | 60.1° |
| H2 | C42 | C43 | H3 | 63.5° | 179.2° |
| H2 | C42 | C43 | H4 | 56.4° | 59.2° |
| H2 | C42 | C41 | H11 | 67.4° | 177.8° |
| H3 | C43 | N44 | H5 | 62.1° | 177.6° |
| H4 | C43 | N44 | H5 | 57.8° | 57.6° |
| H5 | N44 | C45 | H7 | 51.1° | 177.6° |
| H5 | N44 | C45 | H8 | 68.7° | 57.6° |
| H7 | C45 | C46 | H9 | 47.4° | 59.1° |
| H7 | C45 | C46 | H10 | 166.0° | 179.2° |
| H8 | C45 | C46 | H9 | 72.3° | 60.9° |
| H8 | C45 | C46 | H10 | 46.3° | 59.2° |
| H9 | C46 | C41 | H11 | 70.6° | 57.7° |
| H10 | C46 | C41 | H11 | 48.0° | 177.8° |
| H11 | C41 | C40 | H12 | 174.0° | 175.2° |
| H11 | C41 | C40 | H13 | 68.2° | 64.8° |
| H12 | C40 | N18 | H14 | 127.8° | 119.9° |
| H13 | C40 | N18 | H14 | 10.0° | 120.1° |
| H17 | C26 | C28 | H18 | 78.0° | 180.0° |
| H17 | C26 | C28 | H19 | 42.0° | 60.0° |
| H17 | C26 | C28 | H20 | 162.0° | 60.0° |
| H17 | C26 | C27 | H21 | 76.5° | 59.9° |
| H17 | C26 | C27 | H22 | 163.6° | 60.0° |
| H17 | C26 | C27 | H23 | 43.6° | NaN° |
| H18 | C28 | H19 | H20 | 120.0° | 120.0° |
| H21 | C27 | H22 | H23 | 120.0° | 120.0° |
| H24 | N10 | C11 | H25 | 100.6° | 120.1° |
| H24 | N10 | C11 | H26 | 18.8° | 120.0° |
| H27 | C17 | C16 | H28 | 0.6° | 0.0° |
| H28 | C16 | C15 | H29 | 0.0° | 0.0° |
| H29 | C15 | C14 | H30 | 0.2° | 0.0° |
| H30 | C14 | C13 | H31 | 0.1° | 0.3° |
