WC5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C22 | sing | 1.33Å | 1.29Å | |
| C21 | C3 | sing | 1.51Å | 1.48Å | |
| O2 | C29 | doub | 1.22Å | 1.24Å | |
| C26 | C19 | sing | 1.51Å | 1.51Å | |
| F6 | C25 | sing | 1.33Å | 1.26Å | |
| C3 | C2 | doub | 1.37Å | 1.46Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.42Å | |
| C1 | C20 | doub | 1.41Å | 1.45Å | |
| C19 | C20 | sing | 1.38Å | 1.45Å | |
| C19 | C18 | doub | 1.39Å | 1.45Å | |
| F1 | C22 | sing | 1.33Å | 1.30Å | |
| C22 | C4 | sing | 1.51Å | 1.48Å | |
| C22 | F3 | sing | 1.33Å | 1.27Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C20 | N4 | sing | 1.36Å | 1.33Å | |
| C4 | C5 | doub | 1.38Å | 1.46Å | Aromatic |
| C18 | C25 | sing | 1.51Å | 1.47Å | |
| C18 | C17 | sing | 1.37Å | 1.48Å | |
| C25 | F4 | sing | 1.33Å | 1.27Å | |
| C25 | F5 | sing | 1.33Å | 1.35Å | |
| N4 | C17 | doub | 1.36Å | 1.31Å | |
| N4 | FE1 | sing | 2.11Å | 2.08Å | |
| C29 | O1 | sing | 1.33Å | 1.24Å | |
| C29 | C28 | sing | 1.51Å | 1.53Å | |
| N1 | C5 | sing | 1.36Å | 1.32Å | Aromatic |
| N1 | FE1 | sing | 2.11Å | 2.05Å | |
| C5 | C6 | sing | 1.41Å | 1.45Å | |
| C17 | C16 | sing | 1.41Å | 1.46Å | |
| FE1 | N3 | sing | 2.11Å | 2.05Å | |
| FE1 | N2 | sing | 2.10Å | 2.05Å | |
| C16 | C15 | doub | 1.41Å | 1.43Å | |
| C6 | C7 | doub | 1.41Å | 1.46Å | |
| N3 | C15 | sing | 1.36Å | 1.33Å | |
| N3 | C12 | sing | 1.36Å | 1.37Å | |
| C15 | C14 | sing | 1.38Å | 1.46Å | |
| C7 | N2 | sing | 1.36Å | 1.35Å | |
| C7 | C8 | sing | 1.38Å | 1.48Å | |
| N2 | C10 | doub | 1.36Å | 1.35Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C14 | C24 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | doub | 1.37Å | 1.46Å | |
| C12 | C11 | doub | 1.41Å | 1.44Å | |
| C12 | C13 | sing | 1.38Å | 1.48Å | |
| C10 | C11 | sing | 1.41Å | 1.45Å | |
| C10 | C9 | sing | 1.38Å | 1.46Å | |
| C8 | C23 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.37Å | 1.45Å | |
| C13 | C30 | sing | 1.51Å | 1.48Å | |
| C9 | C27 | sing | 1.51Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.50Å | 1.53Å | |
| C32 | O4 | doub | 1.22Å | 1.24Å | |
| C32 | O3 | sing | 1.31Å | 1.26Å | |
| C1 | H1 | sing | 0.95Å | 1.08Å | |
| O1 | H2 | sing | 0.88Å | 0.95Å | |
| C6 | H3 | sing | 0.94Å | 1.08Å | |
| C11 | H4 | sing | 0.95Å | 1.08Å | |
| C16 | H5 | sing | 0.95Å | 1.08Å | |
| C21 | H6 | sing | 0.97Å | 1.10Å | |
| C21 | H7 | sing | 0.97Å | 1.10Å | |
| C21 | H8 | sing | 0.97Å | 1.10Å | |
| C23 | H9 | sing | 0.97Å | 1.10Å | |
| C23 | H10 | sing | 0.97Å | 1.10Å | |
| C23 | H11 | sing | 0.97Å | 1.10Å | |
| C24 | H12 | sing | 0.97Å | 1.10Å | |
| C24 | H13 | sing | 0.97Å | 1.10Å | |
| C24 | H14 | sing | 0.97Å | 1.10Å | |
| C26 | H15 | sing | 0.97Å | 1.10Å | |
| C26 | H16 | sing | 0.97Å | 1.10Å | |
| C26 | H17 | sing | 0.97Å | 1.10Å | |
| C27 | H18 | sing | 0.98Å | 1.10Å | |
| C27 | H19 | sing | 0.98Å | 1.10Å | |
| C28 | H20 | sing | 0.99Å | 1.10Å | |
| C28 | H21 | sing | 0.98Å | 1.10Å | |
| C30 | H22 | sing | 0.98Å | 1.10Å | |
| C30 | H23 | sing | 0.98Å | 1.10Å | |
| C31 | H24 | sing | 0.99Å | 1.10Å | |
| C31 | H25 | sing | 0.98Å | 1.10Å | |
| O3 | H26 | sing | 0.88Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C22 | F1 | 106.6° | 103.0° |
| F2 | C22 | C4 | 105.7° | 112.4° |
| F2 | C22 | F3 | 112.6° | 105.9° |
| C21 | C3 | C2 | 130.1° | 126.4° |
| C21 | C3 | C4 | 129.1° | 126.2° |
| C3 | C21 | H6 | 109.5° | 110.3° |
| C3 | C21 | H7 | 109.4° | 109.9° |
| C3 | C21 | H8 | 109.5° | 109.6° |
| O2 | C29 | O1 | 121.6° | 121.7° |
| O2 | C29 | C28 | 119.7° | 122.6° |
| C26 | C19 | C20 | 127.3° | 127.4° |
| C26 | C19 | C18 | 131.8° | 125.1° |
| C19 | C26 | H15 | 109.5° | 109.5° |
| C19 | C26 | H16 | 109.5° | 110.6° |
| C19 | C26 | H17 | 109.5° | 109.5° |
| F6 | C25 | C18 | 114.8° | 120.3° |
| F6 | C25 | F4 | 113.3° | 103.5° |
| F6 | C25 | F5 | 105.3° | 102.7° |
| C2 | C3 | C4 | 100.8° | 107.4° |
| C3 | C2 | C1 | 119.2° | 127.2° |
| C3 | C2 | N1 | 116.6° | 109.1° |
| C3 | C4 | C22 | 124.4° | 123.9° |
| C3 | C4 | C5 | 105.7° | 106.2° |
| C2 | C1 | C20 | 127.0° | 131.6° |
| C1 | C2 | N1 | 124.2° | 123.7° |
| C2 | C1 | H1 | 116.5° | 114.2° |
| C1 | C20 | C19 | 119.7° | 128.4° |
| C1 | C20 | N4 | 123.3° | 122.8° |
| C20 | C1 | H1 | 116.5° | 114.2° |
| C20 | C19 | C18 | 100.8° | 107.4° |
| C19 | C20 | N4 | 117.0° | 108.8° |
| C19 | C18 | C25 | 125.8° | 128.0° |
| C19 | C18 | C17 | 104.4° | 106.5° |
| F1 | C22 | C4 | 113.3° | 118.9° |
| F1 | C22 | F3 | 109.2° | 101.9° |
| C4 | C22 | F3 | 109.4° | 113.3° |
| C22 | C4 | C5 | 129.9° | 129.9° |
| C2 | N1 | C5 | 103.2° | 108.0° |
| C2 | N1 | FE1 | 127.8° | 125.4° |
| C20 | N4 | C17 | 104.4° | 107.8° |
| C20 | N4 | FE1 | 127.7° | 126.1° |
| C4 | C5 | N1 | 113.7° | 109.3° |
| C4 | C5 | C6 | 123.4° | 128.6° |
| C25 | C18 | C17 | 129.7° | 125.5° |
| C18 | C25 | F4 | 115.5° | 111.8° |
| C18 | C25 | F5 | 101.1° | 111.8° |
| C18 | C17 | N4 | 113.4° | 109.4° |
| C18 | C17 | C16 | 123.8° | 127.2° |
| F4 | C25 | F5 | 105.0° | 105.3° |
| C17 | N4 | FE1 | 127.4° | 126.1° |
| N4 | C17 | C16 | 122.7° | 123.4° |
| N4 | FE1 | N1 | 89.7° | 90.4° |
| N4 | FE1 | N3 | 90.5° | 89.8° |
| N4 | FE1 | N2 | 175.9° | 177.4° |
| O1 | C29 | C28 | 118.5° | 115.7° |
| C29 | O1 | H2 | 109.5° | 117.1° |
| C29 | C28 | C27 | 114.6° | 113.7° |
| C29 | C28 | H20 | 108.2° | 108.3° |
| C29 | C28 | H21 | 108.2° | 109.3° |
| C5 | N1 | FE1 | 128.9° | 126.7° |
| N1 | C5 | C6 | 122.9° | 122.2° |
| N1 | FE1 | N3 | 178.6° | 177.4° |
| N1 | FE1 | N2 | 90.0° | 89.9° |
| C5 | C6 | C7 | 127.4° | 131.9° |
| C5 | C6 | H3 | 116.3° | 113.9° |
| C17 | C16 | C15 | 127.9° | 131.3° |
| C17 | C16 | H5 | 116.0° | 114.0° |
| N3 | FE1 | N2 | 89.8° | 89.8° |
| FE1 | N3 | C15 | 127.4° | 126.4° |
| FE1 | N3 | C12 | 128.6° | 126.2° |
| FE1 | N2 | C7 | 128.0° | 126.2° |
| FE1 | N2 | C10 | 128.0° | 126.4° |
| C16 | C15 | N3 | 123.5° | 123.0° |
| C16 | C15 | C14 | 120.8° | 127.9° |
| C15 | C16 | H5 | 116.1° | 114.7° |
| C6 | C7 | N2 | 122.6° | 123.2° |
| C6 | C7 | C8 | 121.6° | 127.8° |
| C7 | C6 | H3 | 116.3° | 114.2° |
| C15 | N3 | C12 | 103.6° | 107.4° |
| N3 | C15 | C14 | 115.7° | 109.1° |
| N3 | C12 | C11 | 123.2° | 123.4° |
| N3 | C12 | C13 | 114.5° | 108.9° |
| C15 | C14 | C24 | 128.6° | 127.0° |
| C15 | C14 | C13 | 103.5° | 107.4° |
| N2 | C7 | C8 | 115.7° | 109.1° |
| C7 | N2 | C10 | 103.8° | 107.4° |
| C7 | C8 | C23 | 127.3° | 127.0° |
| C7 | C8 | C9 | 101.2° | 107.4° |
| N2 | C10 | C11 | 124.4° | 123.4° |
| N2 | C10 | C9 | 113.9° | 108.9° |
| C28 | C27 | C9 | 105.4° | 114.2° |
| C28 | C27 | H18 | 110.5° | 108.6° |
| C28 | C27 | H19 | 110.5° | 108.7° |
| C27 | C28 | H20 | 108.2° | 108.8° |
| C27 | C28 | H21 | 108.2° | 109.1° |
| C24 | C14 | C13 | 127.9° | 125.5° |
| C14 | C24 | H12 | 109.5° | 110.1° |
| C14 | C24 | H13 | 109.5° | 110.1° |
| C14 | C24 | H14 | 109.5° | 109.5° |
| C14 | C13 | C12 | 102.6° | 107.1° |
| C14 | C13 | C30 | 125.8° | 126.4° |
| C11 | C12 | C13 | 122.3° | 127.7° |
| C12 | C11 | C10 | 125.8° | 130.8° |
| C12 | C11 | H4 | 117.1° | 114.6° |
| C12 | C13 | C30 | 131.6° | 126.4° |
| C11 | C10 | C9 | 121.7° | 127.6° |
| C10 | C11 | H4 | 117.1° | 114.6° |
| C10 | C9 | C8 | 105.1° | 107.2° |
| C10 | C9 | C27 | 126.7° | 126.4° |
| C23 | C8 | C9 | 131.2° | 125.6° |
| C8 | C23 | H9 | 109.5° | 110.1° |
| C8 | C23 | H10 | 109.5° | 110.2° |
| C8 | C23 | H11 | 109.5° | 109.5° |
| C8 | C9 | C27 | 128.2° | 126.4° |
| C13 | C30 | C31 | 101.4° | 114.2° |
| C13 | C30 | H22 | 111.4° | 109.8° |
| C13 | C30 | H23 | 111.4° | 109.4° |
| C9 | C27 | H18 | 110.5° | 109.4° |
| C9 | C27 | H19 | 110.5° | 109.7° |
| C30 | C31 | C32 | 114.8° | 113.6° |
| C31 | C30 | H22 | 111.4° | 108.6° |
| C31 | C30 | H23 | 111.4° | 108.5° |
| C30 | C31 | H24 | 108.1° | 109.0° |
| C30 | C31 | H25 | 108.1° | 109.0° |
| C31 | C32 | O4 | 119.0° | 123.7° |
| C31 | C32 | O3 | 119.5° | 112.8° |
| C32 | C31 | H24 | 108.1° | 108.8° |
| C32 | C31 | H25 | 108.1° | 108.6° |
| O4 | C32 | O3 | 121.4° | 123.4° |
| C32 | O3 | H26 | 109.5° | 112.1° |
| H6 | C21 | H7 | 109.5° | 108.5° |
| H6 | C21 | H8 | 109.5° | 109.3° |
| H7 | C21 | H8 | 109.5° | 109.3° |
| H9 | C23 | H10 | 109.5° | 108.5° |
| H9 | C23 | H11 | 109.4° | 109.3° |
| H10 | C23 | H11 | 109.5° | 109.3° |
| H12 | C24 | H13 | 109.5° | 108.5° |
| H12 | C24 | H14 | 109.5° | 109.3° |
| H13 | C24 | H14 | 109.5° | 109.2° |
| H15 | C26 | H16 | 109.4° | 108.6° |
| H15 | C26 | H17 | 109.5° | 109.3° |
| H16 | C26 | H17 | 109.5° | 109.3° |
| H18 | C27 | H19 | 109.5° | 106.0° |
| H20 | C28 | H21 | 109.5° | 107.5° |
| H22 | C30 | H23 | 109.5° | 106.0° |
| H24 | C31 | H25 | 109.5° | 107.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C22 | C4 | C3 | 98.3° | 65.0° |
| F2 | C22 | F1 | C4 | 115.9° | 125.0° |
| F2 | C22 | F1 | F3 | 121.9° | 109.6° |
| F2 | C22 | C4 | F3 | 121.5° | 120.0° |
| F2 | C22 | C4 | C5 | 82.7° | 114.5° |
| C21 | C3 | C2 | C4 | 179.7° | 179.5° |
| C21 | C3 | C2 | C1 | 0.1° | 0.2° |
| C21 | C3 | C4 | C22 | 0.4° | 0.5° |
| C21 | C3 | C2 | N1 | 179.8° | 179.8° |
| C21 | C3 | C4 | C5 | 179.7° | 179.9° |
| C3 | C21 | H6 | H7 | 120.0° | 120.4° |
| C3 | C21 | H6 | H8 | 120.0° | 120.5° |
| C3 | C21 | H7 | H8 | 120.0° | 120.2° |
| O2 | C29 | O1 | C28 | 175.2° | 179.9° |
| O2 | C29 | C28 | C27 | 128.3° | 98.9° |
| O2 | C29 | O1 | H2 | 0.0° | 180.0° |
| O2 | C29 | C28 | H20 | 111.0° | 22.1° |
| O2 | C29 | C28 | H21 | 7.5° | 139.0° |
| C26 | C19 | C20 | C1 | 0.4° | 0.3° |
| C26 | C19 | C20 | C18 | 177.4° | 179.6° |
| C26 | C19 | C20 | N4 | 178.9° | 179.8° |
| C26 | C19 | C18 | C25 | 1.3° | 0.3° |
| C26 | C19 | C18 | C17 | 178.1° | 179.8° |
| C19 | C26 | H15 | H16 | 120.0° | 120.9° |
| C19 | C26 | H15 | H17 | 120.0° | 120.0° |
| C19 | C26 | H16 | H17 | 120.0° | 120.6° |
| F6 | C25 | C18 | C19 | 35.8° | 1.5° |
| F6 | C25 | C18 | F4 | 134.6° | 121.7° |
| F6 | C25 | C18 | F5 | 112.7° | 120.5° |
| F6 | C25 | C18 | C17 | 148.2° | 178.7° |
| F6 | C25 | F4 | F5 | 114.4° | 107.4° |
| C3 | C2 | C1 | N1 | 179.9° | 180.0° |
| C3 | C2 | C1 | C20 | 177.7° | 180.0° |
| C2 | C3 | C4 | C22 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.4° |
| C3 | C2 | N1 | C5 | 0.5° | 0.2° |
| C3 | C2 | N1 | FE1 | 176.2° | 178.1° |
| C3 | C2 | C1 | H1 | 2.3° | 0.0° |
| C2 | C3 | C21 | H6 | 90.2° | 155.6° |
| C2 | C3 | C21 | H7 | 149.8° | 36.0° |
| C2 | C3 | C21 | H8 | 29.8° | 84.0° |
| C4 | C3 | C2 | C1 | 179.8° | 179.7° |
| C3 | C4 | C22 | F1 | 18.1° | 174.7° |
| C3 | C4 | C22 | C5 | 179.1° | 179.5° |
| C3 | C4 | C22 | F3 | 140.2° | 55.0° |
| C4 | C3 | C2 | N1 | 0.1° | 0.3° |
| C3 | C4 | C5 | N1 | 1.0° | 0.3° |
| C3 | C4 | C5 | C6 | 178.9° | 179.8° |
| C4 | C3 | C21 | H6 | 90.2° | 25.0° |
| C4 | C3 | C21 | H7 | 29.8° | 144.6° |
| C4 | C3 | C21 | H8 | 149.8° | 95.4° |
| C2 | C1 | C20 | H1 | 180.0° | 180.0° |
| C2 | C1 | C20 | C19 | 171.9° | 179.5° |
| C2 | C1 | C20 | N4 | 7.3° | 0.5° |
| C1 | C2 | N1 | C5 | 179.6° | 179.9° |
| C1 | C2 | N1 | FE1 | 3.7° | 1.9° |
| C1 | C20 | C19 | N4 | 179.3° | 179.9° |
| C1 | C20 | C19 | C18 | 177.8° | 179.8° |
| C20 | C1 | C2 | N1 | 2.4° | 0.1° |
| C1 | C20 | N4 | C17 | 177.8° | 180.0° |
| C1 | C20 | N4 | FE1 | 5.5° | 1.1° |
| C20 | C19 | C18 | C25 | 176.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.8° | 0.3° |
| C19 | C20 | N4 | C17 | 1.5° | 0.1° |
| C19 | C20 | N4 | FE1 | 173.8° | 179.0° |
| C19 | C20 | C1 | H1 | 8.1° | 0.5° |
| C20 | C19 | C26 | H15 | 180.0° | 132.4° |
| C20 | C19 | C26 | H16 | 60.0° | 12.7° |
| C20 | C19 | C26 | H17 | 60.0° | 107.8° |
| C18 | C19 | C20 | N4 | 1.5° | 0.2° |
| C19 | C18 | C25 | C17 | 176.0° | 179.9° |
| C19 | C18 | C25 | F4 | 170.4° | 120.2° |
| C19 | C18 | C25 | F5 | 76.9° | 122.0° |
| C19 | C18 | C17 | N4 | 0.1° | 0.2° |
| C19 | C18 | C17 | C16 | 177.6° | 179.8° |
| C18 | C19 | C26 | H15 | 3.4° | 48.1° |
| C18 | C19 | C26 | H16 | 116.6° | 167.8° |
| C18 | C19 | C26 | H17 | 123.4° | 71.7° |
| F1 | C22 | C4 | F3 | 122.1° | 119.7° |
| F1 | C22 | C4 | C5 | 160.9° | 5.8° |
| C22 | C4 | C5 | N1 | 179.8° | 179.9° |
| C22 | C4 | C5 | C6 | 0.3° | 0.2° |
| F3 | C22 | C4 | C5 | 38.9° | 125.5° |
| C2 | N1 | C5 | C4 | 0.9° | 0.1° |
| C2 | N1 | FE1 | N4 | 4.1° | 2.4° |
| C2 | N1 | C5 | FE1 | 176.6° | 178.3° |
| C2 | N1 | C5 | C6 | 179.0° | 180.0° |
| C2 | N1 | FE1 | N3 | 98.7° | 97.0° |
| C2 | N1 | FE1 | N2 | 180.0° | 179.9° |
| N1 | C2 | C1 | H1 | 177.6° | 179.9° |
| C20 | N4 | C17 | C18 | 0.8° | 0.1° |
| C20 | N4 | C17 | FE1 | 172.3° | 178.9° |
| C20 | N4 | FE1 | N1 | 0.5° | 2.1° |
| C20 | N4 | C17 | C16 | 178.5° | 180.0° |
| C20 | N4 | FE1 | N3 | 178.1° | 179.5° |
| C20 | N4 | FE1 | N2 | 85.2° | 98.6° |
| N4 | C20 | C1 | H1 | 172.7° | 179.5° |
| C4 | C5 | N1 | C6 | 179.9° | 179.9° |
| C4 | C5 | N1 | FE1 | 175.7° | 178.3° |
| C4 | C5 | C6 | C7 | 177.7° | 179.8° |
| C4 | C5 | C6 | H3 | 2.3° | 0.4° |
| C18 | C25 | F4 | F5 | 110.4° | 121.7° |
| C25 | C18 | C17 | N4 | 176.6° | 179.9° |
| C25 | C18 | C17 | C16 | 5.7° | 0.0° |
| C17 | C18 | C25 | F4 | 13.6° | 59.7° |
| C17 | C18 | C25 | F5 | 99.1° | 58.1° |
| C18 | C17 | N4 | C16 | 177.7° | 179.9° |
| C18 | C17 | N4 | FE1 | 173.1° | 178.8° |
| C18 | C17 | C16 | C15 | 176.5° | 179.7° |
| C18 | C17 | C16 | H5 | 3.5° | 0.6° |
| C17 | N4 | FE1 | N1 | 171.1° | 179.3° |
| C17 | N4 | FE1 | N3 | 7.5° | 1.9° |
| C17 | N4 | FE1 | N2 | 85.4° | 82.8° |
| N4 | C17 | C16 | C15 | 6.0° | 0.4° |
| N4 | C17 | C16 | H5 | 174.0° | 179.4° |
| N4 | FE1 | N1 | C5 | 179.9° | 179.6° |
| N4 | FE1 | N1 | N3 | 94.6° | 94.6° |
| N4 | FE1 | N1 | N2 | 175.9° | 177.5° |
| FE1 | N4 | C17 | C16 | 9.2° | 1.2° |
| N4 | FE1 | N3 | N2 | 175.9° | 177.5° |
| N4 | FE1 | N3 | C15 | 4.5° | 1.9° |
| N4 | FE1 | N3 | C12 | 176.7° | 179.7° |
| N4 | FE1 | N2 | C7 | 89.0° | 98.5° |
| N4 | FE1 | N2 | C10 | 96.3° | 83.0° |
| O1 | C29 | C28 | C27 | 56.4° | 81.2° |
| O1 | C29 | C28 | H20 | 64.3° | 157.8° |
| O1 | C29 | C28 | H21 | 177.2° | 40.9° |
| C29 | C28 | C27 | H20 | 120.8° | 120.8° |
| C29 | C28 | C27 | H21 | 120.7° | 122.2° |
| C29 | C28 | C27 | C9 | 63.1° | 179.5° |
| C28 | C29 | O1 | H2 | 175.2° | 0.1° |
| C29 | C28 | C27 | H18 | 56.2° | 57.2° |
| C29 | C28 | C27 | H19 | 177.5° | 57.6° |
| C29 | C28 | H20 | H21 | 117.7° | 118.0° |
| C5 | N1 | FE1 | N3 | 85.5° | 85.0° |
| C5 | N1 | FE1 | N2 | 4.2° | 2.2° |
| N1 | C5 | C6 | C7 | 2.4° | 0.3° |
| N1 | C5 | C6 | H3 | 177.6° | 179.5° |
| FE1 | N1 | C5 | C6 | 4.4° | 1.8° |
| N1 | FE1 | N3 | N2 | 81.4° | 82.8° |
| N1 | FE1 | N3 | C15 | 90.1° | 96.5° |
| N1 | FE1 | N3 | C12 | 82.2° | 85.0° |
| N1 | FE1 | N2 | C7 | 3.3° | 2.0° |
| N1 | FE1 | N2 | C10 | 178.1° | 179.6° |
| C5 | C6 | C7 | H3 | 180.0° | 179.8° |
| C5 | C6 | C7 | N2 | 1.5° | 0.2° |
| C5 | C6 | C7 | C8 | 179.1° | 179.7° |
| C17 | C16 | C15 | H5 | 180.0° | 179.8° |
| C17 | C16 | C15 | N3 | 2.8° | 0.4° |
| C17 | C16 | C15 | C14 | 177.7° | 179.5° |
| FE1 | N3 | C15 | C16 | 3.2° | 1.2° |
| FE1 | N3 | C15 | C12 | 173.8° | 178.7° |
| FE1 | N3 | C15 | C14 | 177.3° | 178.9° |
| N3 | FE1 | N2 | C7 | 178.1° | 179.4° |
| N3 | FE1 | N2 | C10 | 3.3° | 2.1° |
| FE1 | N3 | C12 | C11 | 3.2° | 1.4° |
| FE1 | N3 | C12 | C13 | 177.1° | 178.6° |
| FE1 | N2 | C7 | C6 | 2.7° | 1.4° |
| N2 | FE1 | N3 | C15 | 171.5° | 179.4° |
| N2 | FE1 | N3 | C12 | 0.8° | 2.2° |
| FE1 | N2 | C7 | C10 | 175.8° | 178.7° |
| FE1 | N2 | C7 | C8 | 179.6° | 178.5° |
| FE1 | N2 | C10 | C11 | 2.0° | 1.3° |
| FE1 | N2 | C10 | C9 | 177.3° | 178.8° |
| C16 | C15 | N3 | C14 | 179.5° | 179.9° |
| C16 | C15 | N3 | C12 | 177.0° | 179.9° |
| C16 | C15 | C14 | C24 | 2.7° | 0.4° |
| C16 | C15 | C14 | C13 | 178.2° | 179.7° |
| C6 | C7 | N2 | C8 | 177.7° | 179.9° |
| C6 | C7 | N2 | C10 | 178.4° | 179.9° |
| C6 | C7 | C8 | C23 | 2.5° | 0.2° |
| C6 | C7 | C8 | C9 | 177.7° | 179.6° |
| N3 | C15 | C14 | C24 | 176.8° | 179.8° |
| N3 | C15 | C14 | C13 | 2.2° | 0.5° |
| C15 | N3 | C12 | C11 | 176.9° | 179.9° |
| C15 | N3 | C12 | C13 | 3.5° | 0.1° |
| N3 | C15 | C16 | H5 | 177.2° | 179.4° |
| C12 | N3 | C15 | C14 | 3.5° | 0.2° |
| N3 | C12 | C13 | C14 | 2.2° | 0.4° |
| N3 | C12 | C11 | C13 | 179.7° | 180.0° |
| N3 | C12 | C11 | C10 | 5.9° | 0.5° |
| N3 | C12 | C13 | C30 | 179.9° | 179.8° |
| N3 | C12 | C11 | H4 | 174.1° | 179.4° |
| C15 | C14 | C24 | C13 | 178.8° | 179.2° |
| C15 | C14 | C13 | C12 | 0.0° | 0.5° |
| C15 | C14 | C13 | C30 | 177.9° | 180.0° |
| C14 | C15 | C16 | H5 | 2.3° | 0.8° |
| C15 | C14 | C24 | H12 | 180.0° | 145.3° |
| C15 | C14 | C24 | H13 | 60.0° | 25.7° |
| C15 | C14 | C24 | H14 | 60.0° | 94.5° |
| C7 | N2 | C10 | C11 | 177.8° | 179.9° |
| C7 | N2 | C10 | C9 | 1.5° | 0.1° |
| N2 | C7 | C8 | C23 | 179.8° | 179.8° |
| N2 | C7 | C8 | C9 | 4.6° | 0.4° |
| N2 | C7 | C6 | H3 | 178.5° | 179.7° |
| C8 | C7 | N2 | C10 | 3.9° | 0.2° |
| C7 | C8 | C9 | C10 | 3.2° | 0.5° |
| C7 | C8 | C23 | C9 | 173.7° | 179.3° |
| C7 | C8 | C9 | C27 | 176.7° | 179.9° |
| C8 | C7 | C6 | H3 | 0.9° | 0.4° |
| C7 | C8 | C23 | H9 | 180.0° | 146.3° |
| C7 | C8 | C23 | H10 | 60.0° | 26.7° |
| C7 | C8 | C23 | H11 | 60.0° | 93.5° |
| N2 | C10 | C11 | C12 | 3.2° | 0.6° |
| N2 | C10 | C11 | C9 | 179.2° | 179.9° |
| N2 | C10 | C9 | C8 | 1.3° | 0.4° |
| N2 | C10 | C9 | C27 | 178.6° | 179.8° |
| N2 | C10 | C11 | H4 | 176.8° | 179.3° |
| C28 | C27 | C9 | C10 | 107.7° | 88.8° |
| C28 | C27 | C9 | C8 | 72.2° | 90.5° |
| C28 | C27 | C9 | H18 | 119.4° | 121.8° |
| C28 | C27 | C9 | H19 | 119.4° | 122.3° |
| C28 | C27 | H18 | H19 | 121.9° | 116.6° |
| C27 | C28 | H20 | H21 | 117.7° | 118.0° |
| C24 | C14 | C13 | C12 | 179.1° | 179.8° |
| C24 | C14 | C13 | C30 | 3.0° | 0.7° |
| C14 | C24 | H12 | H13 | 120.0° | 120.6° |
| C14 | C24 | H12 | H14 | 120.0° | 120.4° |
| C14 | C24 | H13 | H14 | 120.0° | 120.3° |
| C14 | C13 | C12 | C11 | 178.2° | 179.6° |
| C14 | C13 | C12 | C30 | 177.8° | 179.4° |
| C14 | C13 | C30 | C31 | 92.2° | 90.5° |
| C13 | C14 | C24 | H12 | 1.1° | 35.6° |
| C13 | C14 | C24 | H13 | 121.2° | 155.1° |
| C13 | C14 | C24 | H14 | 118.9° | 84.7° |
| C14 | C13 | C30 | H22 | 26.5° | 31.8° |
| C14 | C13 | C30 | H23 | 149.1° | 147.7° |
| C12 | C11 | C10 | H4 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 177.6° | 179.4° |
| C11 | C12 | C13 | C30 | 0.4° | 0.2° |
| C13 | C12 | C11 | C10 | 174.5° | 179.6° |
| C12 | C13 | C30 | C31 | 85.1° | 88.9° |
| C13 | C12 | C11 | H4 | 5.6° | 0.6° |
| C12 | C13 | C30 | H22 | 156.2° | 148.9° |
| C12 | C13 | C30 | H23 | 33.6° | 33.0° |
| C11 | C10 | C9 | C8 | 179.4° | 179.7° |
| C11 | C10 | C9 | C27 | 0.7° | 0.2° |
| C10 | C9 | C8 | C23 | 178.1° | 179.9° |
| C10 | C9 | C8 | C27 | 179.9° | 179.4° |
| C9 | C10 | C11 | H4 | 2.4° | 0.7° |
| C10 | C9 | C27 | H18 | 11.6° | 33.0° |
| C10 | C9 | C27 | H19 | 132.9° | 148.9° |
| C23 | C8 | C9 | C27 | 1.8° | 0.6° |
| C8 | C23 | H9 | H10 | 120.0° | 120.6° |
| C8 | C23 | H9 | H11 | 120.0° | 120.3° |
| C8 | C23 | H10 | H11 | 120.0° | 120.4° |
| C9 | C8 | C23 | H9 | 6.3° | 34.4° |
| C9 | C8 | C23 | H10 | 113.7° | 154.0° |
| C9 | C8 | C23 | H11 | 126.3° | 85.8° |
| C8 | C9 | C27 | H18 | 168.5° | 147.6° |
| C8 | C9 | C27 | H19 | 47.2° | 31.8° |
| C13 | C30 | C31 | H22 | 118.7° | 122.9° |
| C13 | C30 | C31 | H23 | 118.7° | 122.3° |
| C13 | C30 | C31 | C32 | 179.9° | 178.5° |
| C13 | C30 | H22 | H23 | 123.7° | 118.1° |
| C13 | C30 | C31 | H24 | 59.3° | 59.9° |
| C13 | C30 | C31 | H25 | 59.1° | 57.4° |
| C9 | C27 | H18 | H19 | 121.8° | 118.2° |
| C9 | C27 | C28 | H20 | 176.1° | 59.8° |
| C9 | C27 | C28 | H21 | 57.6° | 57.3° |
| C30 | C31 | C32 | H24 | 120.8° | 121.6° |
| C30 | C31 | C32 | H25 | 120.8° | 121.4° |
| C30 | C31 | C32 | O4 | 76.4° | 93.9° |
| C30 | C31 | C32 | O3 | 106.5° | 86.0° |
| C31 | C30 | H22 | H23 | 123.7° | 116.5° |
| C30 | C31 | H24 | H25 | 117.6° | 118.1° |
| C31 | C32 | O4 | O3 | 177.0° | 180.0° |
| C32 | C31 | C30 | H22 | 61.2° | 55.7° |
| C32 | C31 | C30 | H23 | 61.4° | 59.1° |
| C32 | C31 | H24 | H25 | 117.6° | 117.5° |
| C31 | C32 | O3 | H26 | 177.0° | 180.0° |
| O4 | C32 | C31 | H24 | 162.8° | 144.4° |
| O4 | C32 | C31 | H25 | 44.4° | 27.5° |
| O4 | C32 | O3 | H26 | 0.0° | 0.0° |
| O3 | C32 | C31 | H24 | 14.3° | 35.6° |
| O3 | C32 | C31 | H25 | 132.7° | 152.5° |
| H6 | C21 | H7 | H8 | 120.0° | 119.1° |
| H9 | C23 | H10 | H11 | 120.0° | 119.0° |
| H12 | C24 | H13 | H14 | 120.0° | 119.1° |
| H15 | C26 | H16 | H17 | 120.0° | 119.1° |
| H18 | C27 | C28 | H20 | 64.6° | 178.0° |
| H18 | C27 | C28 | H21 | 177.0° | 65.0° |
| H19 | C27 | C28 | H20 | 56.7° | 63.1° |
| H19 | C27 | C28 | H21 | 61.7° | 179.9° |
| H22 | C30 | C31 | H24 | 178.0° | 177.2° |
| H22 | C30 | C31 | H25 | 59.5° | 65.5° |
| H23 | C30 | C31 | H24 | 59.4° | 62.4° |
| H23 | C30 | C31 | H25 | 177.8° | 179.7° |
