WJX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C20 | sing | 1.35Å | 1.34Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.36Å | Aromatic |
| C20 | C19 | doub | 1.35Å | 1.37Å | Aromatic |
| N6 | C21 | doub | 1.31Å | 1.32Å | Aromatic |
| C19 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | S | sing | 1.76Å | 1.61Å | |
| C21 | C22 | sing | 1.51Å | 1.49Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| S | O3 | doub | 1.42Å | 1.43Å | |
| S | N4 | sing | 1.66Å | 1.63Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| O1 | C18 | doub | 1.22Å | 1.23Å | |
| N4 | C18 | sing | 1.35Å | 1.39Å | |
| C1 | C2 | sing | 1.55Å | 1.54Å | |
| C1 | C4 | sing | 1.54Å | 1.52Å | |
| C18 | C6 | sing | 1.47Å | 1.50Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C25 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | N | sing | 1.47Å | 1.46Å | |
| C3 | N | sing | 1.48Å | 1.49Å | |
| C3 | C24 | sing | 1.53Å | 1.53Å | |
| N | C5 | sing | 1.38Å | 1.38Å | |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N2 | sing | 1.39Å | 1.41Å | |
| N2 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| N3 | C12 | doub | 1.31Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C12 | O | sing | 1.36Å | 1.35Å | |
| F1 | C17 | sing | 1.40Å | 1.33Å | |
| O | C13 | sing | 1.43Å | 1.44Å | |
| F2 | C17 | sing | 1.40Å | 1.33Å | |
| C17 | F | sing | 1.40Å | 1.33Å | |
| C17 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | 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 | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N5 | C20 | 127.6° | 126.0° |
| C23 | N5 | N6 | 119.3° | 126.0° |
| N5 | C23 | H25 | 109.5° | 109.5° |
| N5 | C23 | H26 | 109.5° | 109.5° |
| N5 | C23 | H27 | 109.4° | 109.5° |
| C20 | N5 | N6 | 113.1° | 108.0° |
| N5 | C20 | C19 | 105.6° | 107.7° |
| N5 | C20 | H21 | 127.2° | 126.2° |
| N5 | N6 | C21 | 104.9° | 108.2° |
| C20 | C19 | C21 | 106.1° | 107.9° |
| C20 | C19 | S | 127.1° | 126.1° |
| C19 | C20 | H21 | 127.2° | 126.1° |
| N6 | C21 | C19 | 110.3° | 108.2° |
| N6 | C21 | C22 | 119.8° | 125.9° |
| C21 | C19 | S | 126.9° | 126.1° |
| C19 | C21 | C22 | 129.9° | 125.9° |
| C19 | S | O2 | 107.7° | 106.4° |
| C19 | S | O3 | 108.4° | 106.4° |
| C19 | S | N4 | 105.6° | 107.2° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H23 | 109.5° | 109.5° |
| C21 | C22 | H24 | 109.5° | 109.5° |
| O2 | S | O3 | 119.8° | 123.1° |
| O2 | S | N4 | 107.5° | 106.4° |
| O3 | S | N4 | 107.0° | 106.4° |
| S | N4 | C18 | 123.5° | 120.0° |
| S | N4 | H34 | 118.3° | 120.0° |
| C | C1 | C2 | 113.3° | 110.7° |
| C | C1 | C4 | 113.6° | 110.7° |
| C | C1 | H6 | 108.6° | 110.8° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.4° | 109.4° |
| O1 | C18 | N4 | 121.0° | 120.0° |
| O1 | C18 | C6 | 120.9° | 120.0° |
| N4 | C18 | C6 | 114.0° | 120.0° |
| C18 | N4 | H34 | 118.2° | 120.0° |
| C2 | C1 | C4 | 104.0° | 103.0° |
| C1 | C2 | C3 | 106.7° | 101.6° |
| C2 | C1 | H6 | 108.4° | 110.7° |
| C1 | C2 | H7 | 110.1° | 111.0° |
| C1 | C2 | H8 | 110.2° | 111.0° |
| C1 | C4 | N | 104.8° | 107.2° |
| C1 | C4 | H1 | 110.6° | 109.9° |
| C1 | C4 | H2 | 110.6° | 110.0° |
| C4 | C1 | H6 | 108.6° | 110.7° |
| C18 | C6 | C5 | 122.4° | 120.5° |
| C18 | C6 | C7 | 120.0° | 120.6° |
| C2 | C3 | C25 | 112.2° | 110.4° |
| C2 | C3 | N | 101.1° | 104.8° |
| C2 | C3 | C24 | 111.9° | 110.4° |
| C3 | C2 | H7 | 110.2° | 111.0° |
| C3 | C2 | H8 | 110.1° | 111.0° |
| C25 | C3 | N | 111.4° | 110.3° |
| C25 | C3 | C24 | 108.5° | 110.5° |
| C3 | C25 | H31 | 109.5° | 109.5° |
| C3 | C25 | H32 | 109.5° | 109.5° |
| C3 | C25 | H33 | 109.5° | 109.4° |
| C4 | N | C3 | 105.5° | 108.6° |
| C4 | N | C5 | 125.8° | 111.0° |
| N | C4 | H1 | 110.7° | 109.9° |
| N | C4 | H2 | 110.7° | 109.9° |
| N | C3 | C24 | 111.6° | 110.4° |
| C3 | N | C5 | 122.6° | 111.0° |
| C3 | C24 | H28 | 109.5° | 109.4° |
| C3 | C24 | H29 | 109.5° | 109.5° |
| C3 | C24 | H30 | 109.5° | 109.5° |
| N | C5 | C6 | 120.1° | 119.8° |
| N | C5 | N1 | 116.4° | 119.8° |
| C5 | C6 | C7 | 117.5° | 118.9° |
| C6 | C5 | N1 | 123.5° | 120.4° |
| C6 | C7 | C8 | 119.9° | 118.5° |
| C6 | C7 | H3 | 120.1° | 120.8° |
| C5 | N1 | C9 | 116.9° | 121.7° |
| C7 | C8 | C9 | 117.7° | 119.4° |
| C8 | C7 | H3 | 120.1° | 120.7° |
| C7 | C8 | H4 | 121.2° | 120.3° |
| N1 | C9 | C8 | 124.4° | 121.1° |
| N1 | C9 | N2 | 114.5° | 119.5° |
| C8 | C9 | N2 | 120.9° | 119.4° |
| C9 | C8 | H4 | 121.1° | 120.3° |
| C9 | N2 | C10 | 127.9° | 126.1° |
| C9 | N2 | N3 | 120.1° | 126.1° |
| C10 | N2 | N3 | 112.0° | 107.9° |
| N2 | C10 | C11 | 107.3° | 107.7° |
| N2 | C10 | H5 | 126.4° | 126.1° |
| N2 | N3 | C12 | 105.7° | 108.2° |
| C10 | C11 | C12 | 105.8° | 107.9° |
| C11 | C10 | H5 | 126.4° | 126.1° |
| C10 | C11 | H9 | 127.1° | 126.0° |
| N3 | C12 | C11 | 109.3° | 108.3° |
| N3 | C12 | O | 122.3° | 125.9° |
| C11 | C12 | O | 128.3° | 125.9° |
| C12 | C11 | H9 | 127.1° | 126.0° |
| C12 | O | C13 | 116.0° | 117.0° |
| F1 | C17 | F2 | 106.9° | 109.5° |
| F1 | C17 | F | 106.9° | 109.4° |
| F1 | C17 | C14 | 112.0° | 109.5° |
| O | C13 | C14 | 109.8° | 109.5° |
| O | C13 | H13 | 109.4° | 109.5° |
| O | C13 | H14 | 109.4° | 109.5° |
| F2 | C17 | F | 106.8° | 109.5° |
| F2 | C17 | C14 | 112.0° | 109.5° |
| F | C17 | C14 | 112.0° | 109.5° |
| C17 | C14 | C13 | 109.8° | 109.5° |
| C17 | C14 | C16 | 111.0° | 109.5° |
| C17 | C14 | C15 | 110.9° | 109.5° |
| C13 | C14 | C16 | 108.1° | 109.4° |
| C13 | C14 | C15 | 108.5° | 109.5° |
| C14 | C13 | H13 | 109.4° | 109.5° |
| C14 | C13 | H14 | 109.4° | 109.5° |
| C16 | C14 | C15 | 108.5° | 109.5° |
| C14 | C16 | H18 | 109.5° | 109.5° |
| C14 | C16 | H19 | 109.5° | 109.4° |
| C14 | C16 | H20 | 109.5° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.9° |
| H7 | C2 | H8 | 109.5° | 110.9° |
| H10 | C | H11 | 109.4° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.4° |
| H15 | C15 | H17 | 109.4° | 109.4° |
| H16 | C15 | H17 | 109.4° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.4° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.4° |
| H22 | C22 | H24 | 109.4° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.4° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H28 | C24 | H30 | 109.5° | 109.5° |
| H29 | C24 | H30 | 109.4° | 109.5° |
| H31 | C25 | H32 | 109.4° | 109.5° |
| H31 | C25 | H33 | 109.5° | 109.4° |
| H32 | C25 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N5 | C20 | N6 | 179.0° | 179.8° |
| C23 | N5 | C20 | C19 | 178.8° | 180.0° |
| C23 | N5 | N6 | C21 | 178.9° | 179.8° |
| C23 | N5 | C20 | H21 | 1.2° | 0.1° |
| N5 | C23 | H25 | H26 | 120.0° | 120.0° |
| N5 | C23 | H25 | H27 | 120.0° | 120.0° |
| N5 | C23 | H26 | H27 | 120.0° | 120.0° |
| N5 | C20 | C19 | H21 | 180.0° | 180.0° |
| C20 | N5 | N6 | C21 | 0.2° | 0.4° |
| N5 | C20 | C19 | C21 | 0.1° | 0.0° |
| N5 | C20 | C19 | S | 179.4° | 179.8° |
| C20 | N5 | C23 | H25 | 179.0° | 90.0° |
| C20 | N5 | C23 | H26 | 61.0° | 150.0° |
| C20 | N5 | C23 | H27 | 59.0° | 30.0° |
| N6 | N5 | C20 | C19 | 0.2° | 0.2° |
| N5 | N6 | C21 | C19 | 0.2° | 0.4° |
| N5 | N6 | C21 | C22 | 179.8° | 179.6° |
| N6 | N5 | C20 | H21 | 179.8° | 179.7° |
| N6 | N5 | C23 | H25 | 0.0° | 90.3° |
| N6 | N5 | C23 | H26 | 120.0° | 29.8° |
| N6 | N5 | C23 | H27 | 120.0° | 149.7° |
| C20 | C19 | C21 | N6 | 0.0° | 0.2° |
| C20 | C19 | C21 | S | 179.5° | 179.8° |
| C20 | C19 | C21 | C22 | 179.7° | 179.8° |
| C20 | C19 | S | O2 | 2.1° | 131.7° |
| C20 | C19 | S | O3 | 128.9° | 1.2° |
| C20 | C19 | S | N4 | 116.7° | 114.7° |
| N6 | C21 | C19 | C22 | 179.6° | 180.0° |
| N6 | C21 | C19 | S | 179.5° | 180.0° |
| N6 | C21 | C22 | H22 | 0.0° | 85.1° |
| N6 | C21 | C22 | H23 | 120.0° | 34.8° |
| N6 | C21 | C22 | H24 | 120.0° | 154.8° |
| C21 | C19 | S | O2 | 177.3° | 48.0° |
| C21 | C19 | S | O3 | 51.7° | 179.1° |
| C21 | C19 | S | N4 | 62.7° | 65.5° |
| C21 | C19 | C20 | H21 | 179.9° | 180.0° |
| C19 | C21 | C22 | H22 | 179.6° | 94.9° |
| C19 | C21 | C22 | H23 | 60.4° | 145.2° |
| C19 | C21 | C22 | H24 | 59.6° | 25.2° |
| S | C19 | C21 | C22 | 0.8° | 0.0° |
| C19 | S | O2 | O3 | 124.4° | 123.0° |
| C19 | S | O2 | N4 | 113.4° | 114.1° |
| C19 | S | O3 | N4 | 113.4° | 114.1° |
| C19 | S | N4 | C18 | 51.0° | 63.0° |
| S | C19 | C20 | H21 | 0.6° | 0.3° |
| C19 | S | N4 | H34 | 129.0° | 117.0° |
| C21 | C22 | H22 | H23 | 120.0° | 120.0° |
| C21 | C22 | H22 | H24 | 120.0° | 120.0° |
| C21 | C22 | H23 | H24 | 120.0° | 120.0° |
| O2 | S | O3 | N4 | 122.5° | 122.9° |
| O2 | S | N4 | C18 | 63.8° | 176.6° |
| O2 | S | N4 | H34 | 116.2° | 3.5° |
| O3 | S | N4 | C18 | 166.3° | 50.5° |
| O3 | S | N4 | H34 | 13.7° | 129.4° |
| S | N4 | C18 | O1 | 5.3° | 5.1° |
| S | N4 | C18 | H34 | 180.0° | 179.9° |
| S | N4 | C18 | C6 | 162.9° | 174.8° |
| C | C1 | C2 | C4 | 123.9° | 118.4° |
| C | C1 | C2 | H6 | 120.7° | 123.3° |
| C | C1 | C4 | H6 | 121.0° | 123.2° |
| C | C1 | C2 | C3 | 128.1° | 154.0° |
| C | C1 | C4 | N | 102.2° | 140.7° |
| C | C1 | C4 | H1 | 17.0° | 21.2° |
| C | C1 | C4 | H2 | 138.5° | 99.9° |
| C | C1 | C2 | H7 | 112.4° | 87.9° |
| C | C1 | C2 | H8 | 8.5° | 36.0° |
| C1 | C | H10 | H11 | 120.0° | 119.9° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| O1 | C18 | N4 | C6 | 157.5° | 179.9° |
| O1 | C18 | C6 | C5 | 63.0° | 5.5° |
| O1 | C18 | C6 | C7 | 112.6° | 174.5° |
| O1 | C18 | N4 | H34 | 174.7° | 174.8° |
| N4 | C18 | C6 | C5 | 139.5° | 174.4° |
| N4 | C18 | C6 | C7 | 45.0° | 5.6° |
| C2 | C1 | C4 | H6 | 115.3° | 118.4° |
| C1 | C2 | C3 | H7 | 119.5° | 118.1° |
| C1 | C2 | C3 | H8 | 119.6° | 118.1° |
| C1 | C2 | C3 | C25 | 146.2° | 155.9° |
| C2 | C1 | C4 | N | 21.4° | 22.3° |
| C1 | C2 | C3 | N | 27.4° | 37.1° |
| C1 | C2 | C3 | C24 | 91.5° | 81.7° |
| C2 | C1 | C4 | H1 | 140.7° | 97.1° |
| C2 | C1 | C4 | H2 | 97.9° | 141.7° |
| C1 | C2 | H7 | H8 | 121.3° | 123.9° |
| C2 | C1 | C | H10 | 180.0° | 60.0° |
| C2 | C1 | C | H11 | 60.0° | 180.0° |
| C2 | C1 | C | H12 | 60.0° | 60.0° |
| C4 | C1 | C2 | C3 | 4.2° | 35.7° |
| C1 | C4 | N | H1 | 119.2° | 119.5° |
| C1 | C4 | N | H2 | 119.3° | 119.5° |
| C1 | C4 | N | C3 | 40.4° | 1.0° |
| C1 | C4 | N | C5 | 166.7° | 123.3° |
| C1 | C4 | H1 | H2 | 122.1° | 121.2° |
| C4 | C1 | C2 | H7 | 123.7° | 153.7° |
| C4 | C1 | C2 | H8 | 115.3° | 82.4° |
| C4 | C1 | C | H10 | 61.5° | 173.6° |
| C4 | C1 | C | H11 | 58.5° | 66.4° |
| C4 | C1 | C | H12 | 178.4° | 53.6° |
| C18 | C6 | C5 | N | 8.6° | 0.0° |
| C18 | C6 | C5 | C7 | 175.7° | 180.0° |
| C18 | C6 | C5 | N1 | 173.5° | 180.0° |
| C18 | C6 | C7 | C8 | 173.7° | 180.0° |
| C18 | C6 | C7 | H3 | 6.3° | 0.1° |
| C6 | C18 | N4 | H34 | 17.2° | 5.2° |
| C2 | C3 | C25 | N | 112.6° | 115.4° |
| C2 | C3 | C25 | C24 | 124.1° | 122.4° |
| C2 | C3 | N | C4 | 41.9° | 24.1° |
| C2 | C3 | N | C24 | 119.1° | 118.8° |
| C2 | C3 | N | C5 | 164.1° | 146.4° |
| C3 | C2 | C1 | H6 | 111.3° | 82.7° |
| C3 | C2 | H7 | H8 | 121.3° | 123.9° |
| C2 | C3 | C24 | H28 | 180.0° | 63.6° |
| C2 | C3 | C24 | H29 | 60.0° | 176.4° |
| C2 | C3 | C24 | H30 | 60.0° | 56.4° |
| C2 | C3 | C25 | H31 | 180.0° | 60.0° |
| C2 | C3 | C25 | H32 | 60.0° | 180.0° |
| C2 | C3 | C25 | H33 | 60.0° | 60.0° |
| C25 | C3 | N | C4 | 161.3° | 142.9° |
| C25 | C3 | N | C24 | 121.5° | 122.4° |
| C25 | C3 | N | C5 | 44.7° | 94.8° |
| C25 | C3 | C2 | H7 | 94.2° | 86.1° |
| C25 | C3 | C2 | H8 | 26.7° | 37.8° |
| C25 | C3 | C24 | H28 | 55.6° | 58.7° |
| C25 | C3 | C24 | H29 | 175.7° | 61.3° |
| C25 | C3 | C24 | H30 | 64.4° | 178.7° |
| C3 | C25 | H31 | H32 | 120.0° | 120.1° |
| C3 | C25 | H31 | H33 | 120.0° | 120.0° |
| C3 | C25 | H32 | H33 | 120.0° | 120.0° |
| C4 | N | C3 | C5 | 154.0° | 122.3° |
| C4 | N | C3 | C24 | 77.2° | 94.7° |
| C4 | N | C5 | C6 | 71.2° | 129.1° |
| C4 | N | C5 | N1 | 106.8° | 50.8° |
| N | C4 | H1 | H2 | 122.2° | 121.0° |
| N | C4 | C1 | H6 | 136.8° | 96.1° |
| C3 | N | C5 | C6 | 140.2° | 110.0° |
| C3 | N | C5 | N1 | 41.8° | 70.1° |
| C3 | N | C4 | H1 | 159.6° | 120.4° |
| C3 | N | C4 | H2 | 78.9° | 118.5° |
| N | C3 | C2 | H7 | 146.9° | 155.1° |
| N | C3 | C2 | H8 | 92.1° | 81.0° |
| N | C3 | C24 | H28 | 67.5° | 179.0° |
| N | C3 | C24 | H29 | 52.5° | 61.0° |
| N | C3 | C24 | H30 | 172.5° | 59.0° |
| N | C3 | C25 | H31 | 67.4° | 55.4° |
| N | C3 | C25 | H32 | 172.6° | 64.7° |
| N | C3 | C25 | H33 | 52.6° | 175.4° |
| C24 | C3 | N | C5 | 76.8° | 27.6° |
| C24 | C3 | C2 | H7 | 28.0° | 36.3° |
| C24 | C3 | C2 | H8 | 148.9° | 160.2° |
| C3 | C24 | H28 | H29 | 120.0° | 120.0° |
| C3 | C24 | H28 | H30 | 120.0° | 120.0° |
| C3 | C24 | H29 | H30 | 120.0° | 120.0° |
| C24 | C3 | C25 | H31 | 55.8° | 177.7° |
| C24 | C3 | C25 | H32 | 64.1° | 57.6° |
| C24 | C3 | C25 | H33 | 175.9° | 62.4° |
| N | C5 | C6 | N1 | 177.9° | 179.9° |
| N | C5 | C6 | C7 | 175.7° | 180.0° |
| N | C5 | N1 | C9 | 177.7° | 180.0° |
| C5 | N | C4 | H1 | 47.4° | 117.3° |
| C5 | N | C4 | H2 | 74.1° | 3.8° |
| C5 | C6 | C7 | C8 | 2.0° | 0.0° |
| C6 | C5 | N1 | C9 | 0.3° | 0.1° |
| C5 | C6 | C7 | H3 | 178.0° | 179.9° |
| C7 | C6 | C5 | N1 | 2.2° | 0.0° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H4 | 179.8° | 180.0° |
| C5 | N1 | C9 | C8 | 1.8° | 0.1° |
| C5 | N1 | C9 | N2 | 174.5° | 179.9° |
| C7 | C8 | C9 | N1 | 1.9° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | N2 | 174.1° | 180.0° |
| N1 | C9 | C8 | N2 | 176.1° | 180.0° |
| N1 | C9 | N2 | C10 | 1.1° | 0.0° |
| N1 | C9 | N2 | N3 | 176.6° | 179.9° |
| N1 | C9 | C8 | H4 | 178.1° | 179.9° |
| C8 | C9 | N2 | C10 | 177.5° | 180.0° |
| C8 | C9 | N2 | N3 | 0.1° | 0.1° |
| C9 | C8 | C7 | H3 | 179.9° | 179.9° |
| C9 | N2 | C10 | N3 | 177.8° | 179.9° |
| C9 | N2 | C10 | C11 | 177.5° | 180.0° |
| C9 | N2 | N3 | C12 | 177.6° | 179.7° |
| N2 | C9 | C8 | H4 | 5.8° | 0.1° |
| C9 | N2 | C10 | H5 | 2.5° | 0.4° |
| N2 | C10 | C11 | H5 | 180.0° | 179.7° |
| C10 | N2 | N3 | C12 | 0.4° | 0.2° |
| N2 | C10 | C11 | C12 | 0.1° | 0.3° |
| N2 | C10 | C11 | H9 | 179.8° | 179.7° |
| N3 | N2 | C10 | C11 | 0.3° | 0.1° |
| N2 | N3 | C12 | C11 | 0.3° | 0.4° |
| N2 | N3 | C12 | O | 179.2° | 180.0° |
| N3 | N2 | C10 | H5 | 179.7° | 179.7° |
| C10 | C11 | C12 | N3 | 0.1° | 0.5° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | O | 179.3° | 180.0° |
| N3 | C12 | C11 | O | 179.4° | 179.6° |
| N3 | C12 | O | C13 | 48.1° | 0.5° |
| N3 | C12 | C11 | H9 | 179.9° | 179.6° |
| C11 | C12 | O | C13 | 132.5° | 180.0° |
| C12 | C11 | C10 | H5 | 179.9° | 180.0° |
| C12 | O | C13 | C14 | 166.5° | 180.0° |
| O | C12 | C11 | H9 | 0.7° | 0.0° |
| C12 | O | C13 | H13 | 46.5° | 60.0° |
| C12 | O | C13 | H14 | 73.4° | 60.0° |
| F1 | C17 | F2 | F | 114.1° | 120.0° |
| F1 | C17 | F2 | C14 | 123.0° | 120.0° |
| F1 | C17 | F | C14 | 122.9° | 119.9° |
| F1 | C17 | C14 | C13 | 54.4° | 180.0° |
| F1 | C17 | C14 | C16 | 65.0° | 60.1° |
| F1 | C17 | C14 | C15 | 174.3° | 59.9° |
| O | C13 | C14 | C17 | 61.6° | 180.0° |
| O | C13 | C14 | H13 | 120.0° | 120.0° |
| O | C13 | C14 | H14 | 120.1° | 120.0° |
| O | C13 | C14 | C16 | 177.1° | 60.0° |
| O | C13 | C14 | C15 | 59.7° | 60.0° |
| O | C13 | H13 | H14 | 119.9° | 120.0° |
| F2 | C17 | F | C14 | 123.0° | 120.0° |
| F2 | C17 | C14 | C13 | 65.6° | 59.9° |
| F2 | C17 | C14 | C16 | 175.0° | 60.0° |
| F2 | C17 | C14 | C15 | 54.3° | 180.0° |
| F | C17 | C14 | C13 | 174.4° | 60.1° |
| F | C17 | C14 | C16 | 55.0° | 180.0° |
| F | C17 | C14 | C15 | 65.7° | 60.0° |
| C17 | C14 | C13 | C16 | 121.3° | 120.0° |
| C17 | C14 | C13 | C15 | 121.3° | 120.0° |
| C17 | C14 | C16 | C15 | 122.1° | 120.0° |
| C17 | C14 | C13 | H13 | 58.4° | 59.9° |
| C17 | C14 | C13 | H14 | 178.3° | 60.0° |
| C17 | C14 | C15 | H15 | 180.0° | 180.0° |
| C17 | C14 | C15 | H16 | 60.0° | 60.0° |
| C17 | C14 | C15 | H17 | 60.0° | 60.0° |
| C17 | C14 | C16 | H18 | 180.0° | 60.0° |
| C17 | C14 | C16 | H19 | 60.0° | 60.0° |
| C17 | C14 | C16 | H20 | 60.0° | 180.0° |
| C13 | C14 | C16 | C15 | 117.4° | 120.0° |
| C14 | C13 | H13 | H14 | 119.9° | 120.0° |
| C13 | C14 | C15 | H15 | 59.3° | 60.0° |
| C13 | C14 | C15 | H16 | 60.7° | 180.0° |
| C13 | C14 | C15 | H17 | 179.3° | 60.0° |
| C13 | C14 | C16 | H18 | 59.5° | 60.0° |
| C13 | C14 | C16 | H19 | 179.5° | 180.0° |
| C13 | C14 | C16 | H20 | 60.5° | 60.0° |
| C16 | C14 | C13 | H13 | 62.9° | 60.0° |
| C16 | C14 | C13 | H14 | 57.0° | 180.0° |
| C16 | C14 | C15 | H15 | 57.8° | 60.0° |
| C16 | C14 | C15 | H16 | 177.8° | 60.0° |
| C16 | C14 | C15 | H17 | 62.2° | 179.9° |
| C14 | C16 | H18 | H19 | 120.0° | 119.9° |
| C14 | C16 | H18 | H20 | 120.0° | 120.0° |
| C14 | C16 | H19 | H20 | 120.0° | 120.0° |
| C15 | C14 | C13 | H13 | 179.7° | 180.0° |
| C15 | C14 | C13 | H14 | 60.4° | 60.0° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.1° |
| C15 | C14 | C16 | H18 | 57.9° | 180.0° |
| C15 | C14 | C16 | H19 | 62.1° | 60.0° |
| C15 | C14 | C16 | H20 | 177.9° | 60.0° |
| H1 | C4 | C1 | H6 | 104.0° | 144.5° |
| H2 | C4 | C1 | H6 | 17.5° | 23.3° |
| H3 | C7 | C8 | H4 | 0.2° | 0.1° |
| H5 | C10 | C11 | H9 | 0.1° | 0.0° |
| H6 | C1 | C2 | H7 | 8.3° | 35.4° |
| H6 | C1 | C2 | H8 | 129.2° | 159.2° |
| H6 | C1 | C | H10 | 59.4° | 63.2° |
| H6 | C1 | C | H11 | 179.4° | 56.7° |
| H6 | C1 | C | H12 | 60.6° | 176.8° |
| H10 | C | H11 | H12 | 120.0° | 120.1° |
| H15 | C15 | H16 | H17 | 119.9° | 119.9° |
| H18 | C16 | H19 | H20 | 120.0° | 120.0° |
| H22 | C22 | H23 | H24 | 120.0° | 120.0° |
| H25 | C23 | H26 | H27 | 120.0° | 120.0° |
| H28 | C24 | H29 | H30 | 120.0° | 120.0° |
| H31 | C25 | H32 | H33 | 120.0° | 119.9° |
