HKL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | FE | sing | 2.04Å | 2.12Å | |
| C1 | C34 | sing | 1.44Å | 1.33Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.39Å | 1.34Å | Aromatic |
| C6 | H6 | sing | 0.94Å | 1.08Å | |
| C6 | H6A | sing | 0.94Å | 1.08Å | |
| C5 | C6 | doub | 1.31Å | 1.34Å | |
| C5 | C4 | sing | 1.50Å | 1.49Å | |
| C5 | H5 | sing | 0.94Å | 1.08Å | |
| C4 | C2 | sing | 1.41Å | 1.50Å | Aromatic |
| C4 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 0.97Å | 1.10Å | |
| C3 | H3A | sing | 0.97Å | 1.10Å | |
| C3 | H3B | sing | 0.97Å | 1.10Å | |
| N2 | C15 | doub | 1.38Å | 1.35Å | |
| N2 | FE | sing | 2.07Å | 2.12Å | |
| C21 | O1 | doub | 1.21Å | 1.28Å | |
| C20 | C21 | sing | 1.46Å | 1.37Å | |
| C23 | C20 | sing | 1.38Å | 1.32Å | |
| C23 | C24 | doub | 1.43Å | 1.44Å | |
| C24 | C22 | sing | 1.51Å | 1.41Å | |
| C22 | C21 | sing | 1.54Å | 1.42Å | |
| C22 | H22 | sing | 0.97Å | 1.10Å | |
| C22 | H22A | sing | 0.97Å | 1.10Å | |
| C18 | C20 | doub | 1.41Å | 1.50Å | |
| C18 | C19 | sing | 1.49Å | 1.48Å | |
| C19 | H19 | sing | 0.97Å | 1.10Å | |
| C19 | H19A | sing | 0.97Å | 1.10Å | |
| C19 | H19B | sing | 0.97Å | 1.10Å | |
| C17 | C18 | sing | 1.42Å | 1.40Å | |
| N3 | C23 | sing | 1.37Å | 1.34Å | |
| N3 | C17 | sing | 1.39Å | 1.33Å | |
| C16 | C17 | doub | 1.38Å | 1.32Å | |
| C16 | H16 | sing | 0.95Å | 1.08Å | |
| C15 | C16 | sing | 1.41Å | 1.34Å | |
| C12 | C15 | sing | 1.38Å | 1.40Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.52Å | 1.51Å | |
| C13 | H13 | sing | 0.98Å | 1.10Å | |
| C13 | H13A | sing | 0.98Å | 1.10Å | |
| C14 | H14 | sing | 0.97Å | 1.10Å | |
| C14 | H14A | sing | 0.98Å | 1.10Å | |
| C14 | H14B | sing | 0.97Å | 1.10Å | |
| C10 | C12 | doub | 1.37Å | 1.49Å | |
| C10 | C9 | sing | 1.38Å | 1.48Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | H11 | sing | 0.97Å | 1.10Å | |
| C11 | H11A | sing | 0.97Å | 1.10Å | |
| C11 | H11B | sing | 0.97Å | 1.10Å | |
| C9 | N2 | sing | 1.37Å | 1.33Å | |
| C8 | C7 | sing | 1.41Å | 1.34Å | |
| C8 | C9 | doub | 1.40Å | 1.35Å | |
| C8 | H8 | sing | 0.94Å | 1.08Å | |
| C34 | C33 | doub | 1.39Å | 1.26Å | |
| C34 | H34 | sing | 0.94Å | 1.08Å | |
| FE | N3 | sing | 2.01Å | 2.05Å | |
| FE | N4 | sing | 2.08Å | 1.98Å | |
| N4 | C33 | sing | 1.35Å | 1.34Å | |
| N4 | C25 | doub | 1.39Å | 1.31Å | |
| C25 | C24 | sing | 1.38Å | 1.49Å | |
| C25 | C26 | sing | 1.52Å | 1.52Å | |
| C33 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | H32 | sing | 0.98Å | 1.10Å | |
| C32 | H32A | sing | 0.98Å | 1.10Å | |
| C32 | H32B | sing | 0.97Å | 1.10Å | |
| C26 | C31 | sing | 1.56Å | 1.52Å | |
| C27 | C26 | sing | 1.55Å | 1.54Å | |
| C27 | H27 | sing | 0.99Å | 1.10Å | |
| C27 | H27A | sing | 0.99Å | 1.10Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C28 | H28 | sing | 0.98Å | 1.10Å | |
| C28 | H28A | sing | 0.98Å | 1.10Å | |
| C29 | C28 | sing | 1.50Å | 1.52Å | |
| O4 | C29 | doub | 1.21Å | 1.32Å | |
| O2 | C29 | sing | 1.35Å | 1.45Å | |
| C30 | O2 | sing | 1.45Å | 1.42Å | |
| C30 | H30 | sing | 0.97Å | 1.10Å | |
| C30 | H30A | sing | 0.97Å | 1.10Å | |
| C30 | H30B | sing | 0.97Å | 1.10Å | |
| C31 | H33 | sing | 0.99Å | 1.10Å | |
| C26 | H341 | sing | 0.99Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | FE | 126.2° | 126.5° |
| N1 | C1 | C34 | 109.8° | 122.3° |
| N1 | C1 | C2 | 116.5° | 110.1° |
| C1 | N1 | C7 | 104.6° | 106.2° |
| FE | N1 | C7 | 129.2° | 127.2° |
| N1 | FE | N2 | 88.6° | 91.7° |
| N1 | FE | N3 | 173.5° | 177.2° |
| N1 | FE | N4 | 90.6° | 92.4° |
| C34 | C1 | C2 | 133.4° | 127.5° |
| C1 | C34 | C33 | 151.3° | 129.7° |
| C1 | C34 | H34 | 104.4° | 114.8° |
| C1 | C2 | C4 | 100.3° | 108.1° |
| C1 | C2 | C3 | 129.3° | 126.8° |
| N1 | C7 | C4 | 112.7° | 111.0° |
| N1 | C7 | C8 | 110.8° | 120.5° |
| H6 | C6 | H6A | 120.0° | 119.6° |
| H6 | C6 | C5 | 120.0° | 119.7° |
| H6A | C6 | C5 | 120.0° | 120.7° |
| C6 | C5 | C4 | 112.0° | 134.8° |
| C6 | C5 | H5 | 124.0° | 110.0° |
| C4 | C5 | H5 | 124.0° | 115.2° |
| C5 | C4 | C2 | 126.2° | 123.3° |
| C5 | C4 | C7 | 128.0° | 132.1° |
| C2 | C4 | C7 | 105.8° | 104.6° |
| C4 | C2 | C3 | 130.3° | 125.1° |
| C4 | C7 | C8 | 136.4° | 128.5° |
| C2 | C3 | H3 | 109.5° | 109.9° |
| C2 | C3 | H3A | 109.5° | 110.3° |
| C2 | C3 | H3B | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.4° | 108.5° |
| H3 | C3 | H3B | 109.5° | 109.3° |
| H3A | C3 | H3B | 109.5° | 109.3° |
| C15 | N2 | FE | 128.0° | 129.2° |
| N2 | C15 | C16 | 113.2° | 123.8° |
| N2 | C15 | C12 | 116.0° | 109.6° |
| C15 | N2 | C9 | 105.5° | 105.8° |
| FE | N2 | C9 | 126.4° | 125.0° |
| N2 | FE | N3 | 86.1° | 85.8° |
| N2 | FE | N4 | 176.9° | 175.9° |
| O1 | C21 | C20 | 124.6° | 129.9° |
| O1 | C21 | C22 | 122.9° | 124.2° |
| C21 | C20 | C23 | 104.2° | 109.2° |
| C20 | C21 | C22 | 112.5° | 105.9° |
| C21 | C20 | C18 | 147.6° | 144.5° |
| C20 | C23 | C24 | 114.3° | 113.9° |
| C23 | C20 | C18 | 108.2° | 106.4° |
| C20 | C23 | N3 | 111.1° | 112.0° |
| C23 | C24 | C22 | 103.7° | 105.2° |
| C24 | C23 | N3 | 134.5° | 134.2° |
| C23 | C24 | C25 | 117.8° | 122.9° |
| C24 | C22 | C21 | 105.3° | 105.9° |
| C24 | C22 | H22 | 110.5° | 110.7° |
| C24 | C22 | H22A | 110.5° | 110.7° |
| C22 | C24 | C25 | 138.5° | 131.9° |
| C21 | C22 | H22 | 110.5° | 110.4° |
| C21 | C22 | H22A | 110.5° | 110.4° |
| H22 | C22 | H22A | 109.5° | 108.9° |
| C20 | C18 | C19 | 127.5° | 124.6° |
| C20 | C18 | C17 | 99.9° | 106.3° |
| C18 | C19 | H19 | 109.5° | 109.6° |
| C18 | C19 | H19A | 109.5° | 109.5° |
| C18 | C19 | H19B | 109.5° | 109.5° |
| C19 | C18 | C17 | 132.6° | 129.2° |
| H19 | C19 | H19A | 109.4° | 109.4° |
| H19 | C19 | H19B | 109.4° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.4° |
| C18 | C17 | N3 | 113.2° | 109.7° |
| C18 | C17 | C16 | 136.5° | 129.1° |
| C23 | N3 | C17 | 107.5° | 105.7° |
| C23 | N3 | FE | 118.7° | 121.1° |
| N3 | C17 | C16 | 110.2° | 121.2° |
| C17 | N3 | FE | 133.7° | 133.2° |
| C17 | C16 | H16 | 105.7° | 115.3° |
| C17 | C16 | C15 | 148.6° | 126.8° |
| H16 | C16 | C15 | 105.7° | 117.9° |
| C16 | C15 | C12 | 130.8° | 126.6° |
| C15 | C12 | C13 | 129.3° | 126.2° |
| C15 | C12 | C10 | 103.0° | 107.1° |
| C12 | C13 | C14 | 106.8° | 112.6° |
| C12 | C13 | H13 | 110.1° | 110.0° |
| C12 | C13 | H13A | 110.1° | 109.4° |
| C13 | C12 | C10 | 127.7° | 126.7° |
| C14 | C13 | H13 | 110.1° | 108.9° |
| C14 | C13 | H13A | 110.1° | 108.7° |
| C13 | C14 | H14 | 109.5° | 109.6° |
| C13 | C14 | H14A | 109.5° | 109.6° |
| C13 | C14 | H14B | 109.5° | 109.6° |
| H13 | C13 | H13A | 109.5° | 107.1° |
| H14 | C14 | H14A | 109.5° | 109.3° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| C12 | C10 | C9 | 102.7° | 107.5° |
| C12 | C10 | C11 | 128.9° | 125.5° |
| C9 | C10 | C11 | 128.4° | 127.0° |
| C10 | C9 | N2 | 112.7° | 109.9° |
| C10 | C9 | C8 | 132.5° | 126.8° |
| C10 | C11 | H11 | 109.5° | 110.3° |
| C10 | C11 | H11A | 109.5° | 110.2° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 108.2° |
| H11 | C11 | H11B | 109.5° | 109.2° |
| H11A | C11 | H11B | 109.4° | 109.3° |
| N2 | C9 | C8 | 114.6° | 123.3° |
| C7 | C8 | C9 | 150.1° | 131.9° |
| C7 | C8 | H8 | 104.9° | 113.3° |
| C9 | C8 | H8 | 105.0° | 114.7° |
| C33 | C34 | H34 | 104.4° | 115.5° |
| C34 | C33 | N4 | 116.2° | 125.4° |
| C34 | C33 | C31 | 130.0° | 121.1° |
| N3 | FE | N4 | 94.4° | 90.2° |
| FE | N4 | C33 | 125.8° | 123.3° |
| FE | N4 | C25 | 127.1° | 130.3° |
| C33 | N4 | C25 | 107.2° | 106.3° |
| N4 | C33 | C31 | 113.8° | 113.5° |
| N4 | C25 | C24 | 126.7° | 121.0° |
| N4 | C25 | C26 | 113.8° | 113.1° |
| C24 | C25 | C26 | 119.4° | 125.9° |
| C25 | C26 | C31 | 100.8° | 100.1° |
| C25 | C26 | C27 | 112.8° | 113.4° |
| C25 | C26 | H341 | 110.4° | 108.4° |
| C33 | C31 | C32 | 110.0° | 113.4° |
| C33 | C31 | C26 | 100.6° | 100.9° |
| C33 | C31 | H33 | 111.4° | 110.2° |
| C31 | C32 | H32 | 109.5° | 109.8° |
| C31 | C32 | H32A | 109.4° | 110.0° |
| C31 | C32 | H32B | 109.5° | 109.7° |
| C32 | C31 | C26 | 112.0° | 113.9° |
| C32 | C31 | H33 | 111.1° | 105.5° |
| H32 | C32 | H32A | 109.5° | 109.3° |
| H32 | C32 | H32B | 109.4° | 109.0° |
| H32A | C32 | H32B | 109.5° | 109.0° |
| C31 | C26 | C27 | 111.9° | 115.8° |
| C26 | C31 | H33 | 111.3° | 113.2° |
| C31 | C26 | H341 | 110.4° | 110.1° |
| C26 | C27 | H27 | 108.3° | 108.9° |
| C26 | C27 | H27A | 108.3° | 108.3° |
| C26 | C27 | C28 | 114.0° | 116.1° |
| C27 | C26 | H341 | 110.1° | 108.7° |
| H27 | C27 | H27A | 109.5° | 107.0° |
| H27 | C27 | C28 | 108.3° | 108.1° |
| H27A | C27 | C28 | 108.3° | 108.1° |
| C27 | C28 | H28 | 108.3° | 108.8° |
| C27 | C28 | H28A | 108.4° | 109.6° |
| C27 | C28 | C29 | 113.9° | 113.5° |
| H28 | C28 | H28A | 109.5° | 107.4° |
| H28 | C28 | C29 | 108.4° | 108.7° |
| H28A | C28 | C29 | 108.4° | 108.7° |
| C28 | C29 | O4 | 122.4° | 124.9° |
| C28 | C29 | O2 | 120.9° | 110.8° |
| O4 | C29 | O2 | 116.6° | 124.3° |
| C29 | O2 | C30 | 118.7° | 120.0° |
| O2 | C30 | H30 | 109.5° | 109.4° |
| O2 | C30 | H30A | 109.5° | 109.4° |
| O2 | C30 | H30B | 109.4° | 109.5° |
| H30 | C30 | H30A | 109.5° | 109.4° |
| H30 | C30 | H30B | 109.5° | 109.6° |
| H30A | C30 | H30B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | FE | C7 | 176.0° | 177.7° |
| N1 | C1 | C34 | C2 | 173.6° | 179.8° |
| N1 | C1 | C2 | C4 | 3.3° | 0.2° |
| C1 | N1 | C7 | C4 | 3.2° | 0.0° |
| N1 | C1 | C2 | C3 | 179.4° | 180.0° |
| C1 | N1 | FE | N2 | 179.2° | 177.8° |
| C1 | N1 | C7 | C8 | 179.3° | 179.6° |
| N1 | C1 | C34 | C33 | 1.9° | 2.3° |
| N1 | C1 | C34 | H34 | 178.1° | 177.0° |
| C1 | N1 | FE | N3 | 142.7° | 154.9° |
| C1 | N1 | FE | N4 | 2.2° | 1.7° |
| FE | N1 | C1 | C34 | 4.2° | 1.8° |
| FE | N1 | C1 | C2 | 179.0° | 178.0° |
| FE | N1 | C7 | C4 | 179.9° | 178.1° |
| N1 | FE | N2 | C15 | 173.1° | 176.6° |
| N1 | FE | N2 | N3 | 176.1° | 178.9° |
| N1 | FE | N2 | N4 | 75.5° | 172.9° |
| N1 | FE | N3 | C23 | 142.3° | 158.1° |
| N1 | FE | N3 | C17 | 35.6° | 20.0° |
| N1 | FE | N2 | C9 | 3.4° | 2.8° |
| FE | N1 | C7 | C8 | 2.6° | 2.3° |
| N1 | FE | N3 | N4 | 140.3° | 156.6° |
| N1 | FE | N4 | C33 | 2.9° | 5.9° |
| N1 | FE | N4 | C25 | 176.8° | 175.2° |
| C34 | C1 | N1 | C7 | 179.0° | 179.9° |
| C34 | C1 | C2 | C4 | 176.5° | 180.0° |
| C34 | C1 | C2 | C3 | 6.2° | 0.3° |
| C1 | C34 | C33 | H34 | 180.0° | 179.4° |
| C1 | C34 | C33 | N4 | 3.3° | 2.8° |
| C1 | C34 | C33 | C31 | 177.9° | 175.5° |
| C2 | C1 | N1 | C7 | 4.2° | 0.1° |
| C1 | C2 | C4 | C5 | 179.6° | 179.5° |
| C1 | C2 | C4 | C3 | 177.3° | 179.8° |
| C1 | C2 | C4 | C7 | 1.1° | 0.2° |
| C1 | C2 | C3 | H3 | 88.3° | 139.4° |
| C1 | C2 | C3 | H3A | 151.7° | 19.7° |
| C1 | C2 | C3 | H3B | 31.7° | 100.6° |
| C2 | C1 | C34 | C33 | 175.5° | 177.4° |
| C2 | C1 | C34 | H34 | 4.5° | 3.2° |
| N1 | C7 | C4 | C5 | 177.9° | 179.5° |
| N1 | C7 | C4 | C2 | 1.3° | 0.1° |
| N1 | C7 | C4 | C8 | 176.5° | 179.6° |
| C7 | N1 | FE | N2 | 4.8° | 4.4° |
| N1 | C7 | C8 | C9 | 4.9° | 3.7° |
| N1 | C7 | C8 | H8 | 175.1° | 173.6° |
| C7 | N1 | FE | N3 | 41.2° | 27.3° |
| C7 | N1 | FE | N4 | 178.3° | 176.1° |
| H6 | C6 | H6A | C5 | 180.0° | 179.8° |
| H6 | C6 | C5 | C4 | 0.0° | 179.8° |
| H6 | C6 | C5 | H5 | 179.9° | 0.6° |
| H6A | C6 | C5 | C4 | 180.0° | 0.4° |
| H6A | C6 | C5 | H5 | 0.0° | 179.5° |
| C6 | C5 | C4 | H5 | 180.0° | 179.1° |
| C6 | C5 | C4 | C2 | 76.2° | 178.1° |
| C6 | C5 | C4 | C7 | 103.0° | 2.4° |
| C5 | C4 | C2 | C7 | 179.3° | 179.6° |
| C5 | C4 | C2 | C3 | 2.4° | 0.3° |
| C5 | C4 | C7 | C8 | 1.4° | 0.1° |
| H5 | C5 | C4 | C2 | 103.9° | 2.7° |
| H5 | C5 | C4 | C7 | 77.0° | 176.8° |
| C4 | C2 | C3 | H3 | 88.2° | 40.9° |
| C4 | C2 | C3 | H3A | 31.8° | 160.5° |
| C4 | C2 | C3 | H3B | 151.8° | 79.2° |
| C2 | C4 | C7 | C8 | 177.9° | 179.7° |
| C7 | C4 | C2 | C3 | 178.3° | 180.0° |
| C4 | C7 | C8 | C9 | 171.6° | 175.9° |
| C4 | C7 | C8 | H8 | 8.3° | 6.9° |
| C2 | C3 | H3 | H3A | 120.0° | 120.7° |
| C2 | C3 | H3 | H3B | 120.0° | 120.2° |
| C2 | C3 | H3A | H3B | 120.0° | 120.4° |
| H3 | C3 | H3A | H3B | 120.0° | 119.1° |
| C15 | N2 | FE | C9 | 176.4° | 179.4° |
| N2 | C15 | C16 | C17 | 4.9° | 1.9° |
| N2 | C15 | C16 | H16 | 175.1° | 178.1° |
| N2 | C15 | C16 | C12 | 178.6° | 179.4° |
| N2 | C15 | C12 | C13 | 179.3° | 179.4° |
| N2 | C15 | C12 | C10 | 0.4° | 0.0° |
| C15 | N2 | C9 | C10 | 0.9° | 0.6° |
| C15 | N2 | C9 | C8 | 176.8° | 179.6° |
| C15 | N2 | FE | N3 | 3.1° | 2.3° |
| C15 | N2 | FE | N4 | 97.6° | 3.7° |
| N2 | FE | N3 | C23 | 178.8° | 178.9° |
| N2 | FE | N3 | C17 | 1.0° | 3.0° |
| FE | N2 | C15 | C16 | 4.5° | 0.7° |
| FE | N2 | C15 | C12 | 176.7° | 179.9° |
| FE | N2 | C9 | C10 | 176.2° | 179.9° |
| FE | N2 | C9 | C8 | 0.3° | 0.9° |
| N2 | FE | N3 | N4 | 176.9° | 179.6° |
| N2 | FE | N4 | C33 | 72.5° | 167.0° |
| N2 | FE | N4 | C25 | 107.8° | 11.8° |
| O1 | C21 | C20 | C22 | 179.7° | 180.0° |
| O1 | C21 | C20 | C23 | 179.7° | 179.9° |
| O1 | C21 | C22 | C24 | 179.7° | 179.7° |
| O1 | C21 | C22 | H22 | 60.9° | 59.9° |
| O1 | C21 | C22 | H22A | 60.4° | 60.5° |
| O1 | C21 | C20 | C18 | 2.6° | 0.0° |
| C21 | C20 | C23 | C18 | 178.7° | 179.9° |
| C21 | C20 | C23 | C24 | 0.5° | 0.0° |
| C20 | C21 | C22 | C24 | 0.6° | 0.3° |
| C20 | C21 | C22 | H22 | 118.7° | 120.1° |
| C20 | C21 | C22 | H22A | 120.0° | 119.5° |
| C21 | C20 | C18 | C19 | 3.7° | 0.2° |
| C21 | C20 | C18 | C17 | 178.2° | 179.9° |
| C21 | C20 | C23 | N3 | 178.8° | 179.9° |
| C20 | C23 | C24 | N3 | 177.8° | 179.8° |
| C20 | C23 | C24 | C22 | 0.8° | 0.2° |
| C23 | C20 | C21 | C22 | 0.1° | 0.2° |
| C23 | C20 | C18 | C19 | 178.6° | 179.9° |
| C23 | C20 | C18 | C17 | 0.5° | 0.1° |
| C20 | C23 | N3 | C17 | 0.4° | 0.2° |
| C20 | C23 | N3 | FE | 178.0° | 178.4° |
| C20 | C23 | C24 | C25 | 179.6° | 178.4° |
| C23 | C24 | C22 | C25 | 179.4° | 178.4° |
| C23 | C24 | C22 | C21 | 0.8° | 0.3° |
| C23 | C24 | C22 | H22 | 118.5° | 120.0° |
| C23 | C24 | C22 | H22A | 120.2° | 119.2° |
| C24 | C23 | C20 | C18 | 178.2° | 179.9° |
| C24 | C23 | N3 | C17 | 178.3° | 180.0° |
| C24 | C23 | N3 | FE | 0.1° | 1.4° |
| C23 | C24 | C25 | N4 | 7.6° | 3.1° |
| C23 | C24 | C25 | C26 | 174.1° | 175.7° |
| C24 | C22 | C21 | H22 | 119.3° | 119.8° |
| C24 | C22 | C21 | H22A | 119.4° | 119.8° |
| C24 | C22 | H22 | H22A | 122.0° | 121.8° |
| C22 | C24 | C23 | N3 | 178.7° | 180.0° |
| C22 | C24 | C25 | N4 | 173.1° | 175.1° |
| C22 | C24 | C25 | C26 | 5.2° | 6.1° |
| C21 | C22 | H22 | H22A | 121.9° | 121.3° |
| C22 | C21 | C20 | C18 | 177.8° | 179.9° |
| C21 | C22 | C24 | C25 | 179.8° | 178.1° |
| H22 | C22 | C24 | C25 | 60.8° | 58.5° |
| H22A | C22 | C24 | C25 | 60.5° | 62.3° |
| C20 | C18 | C19 | C17 | 177.4° | 179.8° |
| C20 | C18 | C19 | H19 | 180.0° | 146.5° |
| C20 | C18 | C19 | H19A | 60.0° | 26.4° |
| C20 | C18 | C19 | H19B | 60.0° | 93.5° |
| C18 | C20 | C23 | N3 | 0.1° | 0.1° |
| C20 | C18 | C17 | N3 | 0.8° | 0.2° |
| C20 | C18 | C17 | C16 | 177.8° | 179.9° |
| C18 | C19 | H19 | H19A | 120.0° | 120.1° |
| C18 | C19 | H19 | H19B | 120.0° | 120.1° |
| C18 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | C18 | C17 | N3 | 178.7° | 180.0° |
| C19 | C18 | C17 | C16 | 4.2° | 0.1° |
| H19 | C19 | H19A | H19B | 120.0° | 119.9° |
| H19 | C19 | C18 | C17 | 2.6° | 33.7° |
| H19A | C19 | C18 | C17 | 117.4° | 153.8° |
| H19B | C19 | C18 | C17 | 122.6° | 86.3° |
| C18 | C17 | N3 | C23 | 0.8° | 0.2° |
| C18 | C17 | N3 | C16 | 177.8° | 179.9° |
| C18 | C17 | C16 | H16 | 5.7° | 1.3° |
| C18 | C17 | C16 | C15 | 174.3° | 178.8° |
| C18 | C17 | N3 | FE | 177.2° | 178.1° |
| C23 | N3 | C17 | FE | 178.0° | 178.3° |
| C23 | N3 | C17 | C16 | 178.6° | 179.9° |
| C23 | N3 | FE | N4 | 1.9° | 1.5° |
| N3 | C23 | C24 | C25 | 1.8° | 1.4° |
| N3 | C17 | C16 | H16 | 177.2° | 178.6° |
| N3 | C17 | C16 | C15 | 2.8° | 1.4° |
| C17 | N3 | FE | N4 | 175.9° | 176.6° |
| C17 | C16 | H16 | C15 | 180.0° | 180.0° |
| C17 | C16 | C15 | C12 | 176.5° | 177.5° |
| C16 | C17 | N3 | FE | 0.6° | 1.8° |
| H16 | C16 | C15 | C12 | 3.5° | 2.5° |
| C16 | C15 | C12 | C13 | 0.7° | 0.0° |
| C16 | C15 | C12 | C10 | 179.0° | 179.5° |
| C16 | C15 | N2 | C9 | 178.5° | 179.8° |
| C15 | C12 | C13 | C10 | 179.6° | 179.4° |
| C15 | C12 | C13 | C14 | 93.3° | 88.0° |
| C15 | C12 | C13 | H13 | 147.1° | 150.4° |
| C15 | C12 | C13 | H13A | 26.3° | 33.0° |
| C15 | C12 | C10 | C9 | 0.9° | 0.3° |
| C15 | C12 | C10 | C11 | 178.9° | 180.0° |
| C12 | C15 | N2 | C9 | 0.3° | 0.4° |
| C12 | C13 | C14 | H13 | 119.6° | 122.3° |
| C12 | C13 | C14 | H13A | 119.6° | 121.4° |
| C12 | C13 | H13 | H13A | 121.2° | 118.8° |
| C12 | C13 | C14 | H14 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14A | 60.0° | 59.8° |
| C12 | C13 | C14 | H14B | 60.0° | 60.3° |
| C13 | C12 | C10 | C9 | 178.8° | 179.8° |
| C13 | C12 | C10 | C11 | 0.8° | 0.6° |
| C14 | C13 | H13 | H13A | 121.2° | 117.4° |
| C13 | C14 | H14 | H14A | 120.0° | 120.2° |
| C13 | C14 | H14 | H14B | 120.0° | 120.1° |
| C13 | C14 | H14A | H14B | 120.0° | 120.2° |
| C14 | C13 | C12 | C10 | 87.1° | 91.4° |
| H13 | C13 | C14 | H14 | 60.4° | 58.0° |
| H13 | C13 | C14 | H14A | 179.6° | 178.0° |
| H13 | C13 | C14 | H14B | 59.6° | 62.0° |
| H13 | C13 | C12 | C10 | 32.5° | 30.2° |
| H13A | C13 | C14 | H14 | 60.4° | 58.4° |
| H13A | C13 | C14 | H14A | 59.6° | 61.6° |
| H13A | C13 | C14 | H14B | 179.6° | 178.4° |
| H13A | C13 | C12 | C10 | 153.3° | 147.6° |
| H14 | C14 | H14A | H14B | 120.0° | 119.7° |
| C12 | C10 | C9 | C11 | 178.1° | 179.7° |
| C12 | C10 | C11 | H11 | 180.0° | 156.9° |
| C12 | C10 | C11 | H11A | 60.0° | 37.5° |
| C12 | C10 | C11 | H11B | 60.0° | 82.8° |
| C12 | C10 | C9 | N2 | 1.2° | 0.6° |
| C12 | C10 | C9 | C8 | 176.0° | 179.5° |
| C9 | C10 | C11 | H11 | 2.4° | 22.7° |
| C9 | C10 | C11 | H11A | 117.6° | 142.1° |
| C9 | C10 | C11 | H11B | 122.4° | 97.6° |
| C10 | C9 | N2 | C8 | 175.8° | 179.0° |
| C10 | C9 | C8 | C7 | 168.6° | 175.8° |
| C10 | C9 | C8 | H8 | 11.4° | 7.0° |
| C10 | C11 | H11 | H11A | 120.0° | 120.6° |
| C10 | C11 | H11 | H11B | 120.0° | 120.5° |
| C10 | C11 | H11A | H11B | 120.0° | 120.4° |
| C11 | C10 | C9 | N2 | 179.2° | 179.8° |
| C11 | C10 | C9 | C8 | 5.9° | 0.8° |
| H11 | C11 | H11A | H11B | 120.0° | 118.9° |
| N2 | C9 | C8 | C7 | 6.2° | 5.4° |
| N2 | C9 | C8 | H8 | 173.8° | 171.8° |
| C9 | N2 | FE | N3 | 179.5° | 178.3° |
| C9 | N2 | FE | N4 | 78.8° | 175.7° |
| C7 | C8 | C9 | H8 | 180.0° | 177.2° |
| C34 | C33 | N4 | FE | 5.3° | 7.3° |
| C34 | C33 | N4 | C31 | 179.0° | 178.4° |
| C34 | C33 | N4 | C25 | 174.5° | 173.6° |
| C34 | C33 | C31 | C32 | 78.4° | 77.0° |
| C34 | C33 | C31 | C26 | 163.4° | 160.8° |
| C34 | C33 | C31 | H33 | 45.3° | 41.0° |
| H34 | C34 | C33 | N4 | 176.7° | 177.9° |
| H34 | C34 | C33 | C31 | 2.1° | 3.9° |
| N3 | FE | N4 | C33 | 173.0° | 173.0° |
| N3 | FE | N4 | C25 | 7.3° | 5.9° |
| FE | N4 | C33 | C25 | 179.8° | 179.1° |
| FE | N4 | C25 | C24 | 11.1° | 7.2° |
| FE | N4 | C25 | C26 | 170.5° | 171.7° |
| FE | N4 | C33 | C31 | 175.7° | 171.1° |
| C33 | N4 | C25 | C24 | 169.1° | 171.7° |
| C33 | N4 | C25 | C26 | 9.2° | 9.3° |
| N4 | C33 | C31 | C32 | 102.8° | 101.4° |
| N4 | C33 | C31 | C26 | 15.4° | 20.7° |
| N4 | C33 | C31 | H33 | 133.5° | 140.6° |
| N4 | C25 | C24 | C26 | 178.3° | 178.8° |
| C25 | N4 | C33 | C31 | 4.5° | 8.0° |
| N4 | C25 | C26 | C31 | 18.4° | 21.3° |
| N4 | C25 | C26 | C27 | 101.2° | 102.6° |
| N4 | C25 | C26 | H341 | 135.1° | 136.6° |
| C24 | C25 | C26 | C31 | 160.1° | 159.8° |
| C24 | C25 | C26 | C27 | 80.3° | 76.3° |
| C24 | C25 | C26 | H341 | 43.4° | 44.5° |
| C25 | C26 | C31 | C33 | 18.0° | 22.8° |
| C25 | C26 | C31 | C32 | 98.8° | 99.1° |
| C25 | C26 | C31 | C27 | 120.2° | 122.2° |
| C25 | C26 | C31 | H341 | 116.8° | 114.0° |
| C25 | C26 | C27 | H341 | 123.9° | 120.6° |
| C25 | C26 | C27 | H27 | 73.8° | 128.1° |
| C25 | C26 | C27 | H27A | 44.8° | 12.1° |
| C25 | C26 | C27 | C28 | 165.5° | 109.6° |
| C25 | C26 | C31 | H33 | 136.1° | 140.4° |
| C33 | C31 | C32 | C26 | 111.0° | 114.6° |
| C33 | C31 | C32 | H33 | 123.9° | 120.7° |
| C33 | C31 | C32 | H32 | 180.0° | 177.6° |
| C33 | C31 | C32 | H32A | 60.0° | 57.3° |
| C33 | C31 | C32 | H32B | 60.0° | 62.6° |
| C33 | C31 | C26 | H33 | 118.1° | 117.7° |
| C33 | C31 | C26 | C27 | 102.2° | 99.5° |
| C33 | C31 | C26 | H341 | 134.7° | 136.7° |
| C31 | C32 | H32 | H32A | 120.0° | 120.7° |
| C31 | C32 | H32 | H32B | 120.0° | 120.2° |
| C31 | C32 | H32A | H32B | 120.0° | 120.3° |
| C32 | C31 | C26 | H33 | 125.1° | 120.5° |
| C32 | C31 | C26 | C27 | 141.0° | 138.7° |
| C32 | C31 | C26 | H341 | 17.9° | 14.9° |
| H32 | C32 | H32A | H32B | 120.0° | 119.1° |
| H32 | C32 | C31 | C26 | 69.0° | 63.0° |
| H32 | C32 | C31 | H33 | 56.1° | 61.7° |
| H32A | C32 | C31 | C26 | 171.0° | 57.3° |
| H32A | C32 | C31 | H33 | 63.9° | 178.0° |
| H32B | C32 | C31 | C26 | 50.9° | 177.2° |
| H32B | C32 | C31 | H33 | 176.1° | 58.1° |
| C31 | C26 | C27 | H341 | 123.2° | 124.5° |
| C31 | C26 | C27 | H27 | 173.3° | 13.3° |
| C31 | C26 | C27 | H27A | 68.0° | 102.7° |
| C31 | C26 | C27 | C28 | 52.6° | 135.5° |
| C26 | C27 | H27 | H27A | 118.0° | 116.8° |
| C26 | C27 | H27 | C28 | 124.1° | 127.0° |
| C26 | C27 | H27A | C28 | 124.1° | 126.6° |
| C26 | C27 | C28 | H28 | 44.6° | 82.8° |
| C26 | C27 | C28 | H28A | 74.1° | 34.4° |
| C26 | C27 | C28 | C29 | 165.2° | 156.1° |
| C27 | C26 | C31 | H33 | 15.9° | 18.2° |
| H27 | C27 | H27A | C28 | 118.0° | 116.2° |
| H27 | C27 | C28 | H28 | 165.2° | 154.5° |
| H27 | C27 | C28 | H28A | 46.5° | 88.3° |
| H27 | C27 | C28 | C29 | 74.1° | 33.4° |
| H27 | C27 | C26 | H341 | 50.1° | 111.2° |
| H27A | C27 | C28 | H28 | 76.1° | 39.1° |
| H27A | C27 | C28 | H28A | 165.2° | 156.2° |
| H27A | C27 | C28 | C29 | 44.5° | 82.1° |
| H27A | C27 | C26 | H341 | 168.8° | 132.8° |
| C27 | C28 | H28 | H28A | 118.0° | 118.6° |
| C27 | C28 | H28 | C29 | 124.0° | 124.0° |
| C27 | C28 | H28A | C29 | 124.0° | 124.5° |
| C27 | C28 | C29 | O4 | 2.7° | 84.3° |
| C27 | C28 | C29 | O2 | 180.0° | 95.6° |
| C28 | C27 | C26 | H341 | 70.6° | 11.0° |
| H28 | C28 | H28A | C29 | 118.0° | 117.4° |
| H28 | C28 | C29 | O4 | 123.3° | 36.8° |
| H28 | C28 | C29 | O2 | 59.4° | 143.2° |
| H28A | C28 | C29 | O4 | 118.0° | 153.4° |
| H28A | C28 | C29 | O2 | 59.3° | 26.6° |
| C28 | C29 | O4 | O2 | 177.4° | 179.9° |
| C28 | C29 | O2 | C30 | 173.4° | 179.7° |
| O4 | C29 | O2 | C30 | 9.1° | 0.4° |
| C29 | O2 | C30 | H30 | 180.0° | 56.7° |
| C29 | O2 | C30 | H30A | 60.0° | 176.6° |
| C29 | O2 | C30 | H30B | 60.0° | 63.5° |
| O2 | C30 | H30 | H30A | 120.0° | 119.8° |
| O2 | C30 | H30 | H30B | 120.0° | 120.1° |
| O2 | C30 | H30A | H30B | 119.9° | 119.9° |
| H30 | C30 | H30A | H30B | 120.0° | 120.2° |
| H33 | C31 | C26 | H341 | 107.1° | 105.6° |
