FXW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S2 | doub | 1.42Å | 1.46Å | |
| O1 | S1 | doub | 1.42Å | 1.47Å | |
| N3 | S2 | sing | 1.67Å | 1.52Å | |
| N3 | C16 | sing | 1.48Å | 1.29Å | |
| S2 | O4 | doub | 1.42Å | 1.46Å | |
| S2 | C12 | sing | 1.77Å | 1.82Å | |
| S1 | N1 | sing | 1.67Å | 1.52Å | |
| S1 | O2 | doub | 1.42Å | 1.47Å | |
| S1 | C5 | sing | 1.77Å | 1.81Å | |
| N1 | C15 | sing | 1.48Å | 1.30Å | |
| C16 | N4 | sing | 1.46Å | 1.45Å | |
| C15 | N2 | sing | 1.46Å | 1.45Å | |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.52Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.27Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.52Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.32Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| N2 | C6 | sing | 1.39Å | 1.63Å | |
| N2 | C17 | sing | 1.47Å | 1.47Å | |
| N4 | C13 | sing | 1.39Å | 1.63Å | |
| N4 | C20 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | doub | 1.38Å | 1.44Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.46Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C17 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C9 | C14 | sing | 1.38Å | 1.51Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.55Å | |
| C1 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S2 | N3 | 106.3° | 107.0° |
| O3 | S2 | O4 | 117.4° | 123.6° |
| O3 | S2 | C12 | 106.9° | 106.9° |
| O1 | S1 | N1 | 106.9° | 106.9° |
| O1 | S1 | O2 | 117.0° | 123.7° |
| O1 | S1 | C5 | 106.4° | 107.0° |
| S2 | N3 | C16 | 118.7° | 114.8° |
| N3 | S2 | O4 | 105.2° | 107.0° |
| N3 | S2 | C12 | 115.8° | 103.9° |
| S2 | N3 | H14 | 107.1° | 122.6° |
| N3 | C16 | N4 | 129.5° | 109.3° |
| N3 | C16 | H15 | 104.3° | 109.5° |
| N3 | C16 | H16 | 104.3° | 109.5° |
| C16 | N3 | H14 | 107.1° | 122.6° |
| O4 | S2 | C12 | 105.7° | 106.9° |
| S2 | C12 | C11 | 122.9° | 119.5° |
| S2 | C12 | C13 | 115.4° | 119.6° |
| N1 | S1 | O2 | 105.4° | 106.9° |
| N1 | S1 | C5 | 115.9° | 103.9° |
| S1 | N1 | C15 | 119.3° | 114.7° |
| S1 | N1 | H11 | 107.0° | 122.6° |
| O2 | S1 | C5 | 105.7° | 106.9° |
| S1 | C5 | C4 | 123.2° | 119.5° |
| S1 | C5 | C6 | 116.3° | 119.6° |
| N1 | C15 | N2 | 129.8° | 109.2° |
| N1 | C15 | H13 | 104.2° | 109.8° |
| N1 | C15 | H12 | 104.2° | 109.4° |
| C15 | N1 | H11 | 107.0° | 122.7° |
| C16 | N4 | C13 | 121.2° | 116.9° |
| C16 | N4 | C20 | 120.9° | 111.0° |
| N4 | C16 | H15 | 104.2° | 109.5° |
| N4 | C16 | H16 | 104.3° | 109.5° |
| C15 | N2 | C6 | 121.4° | 116.9° |
| C15 | N2 | C17 | 120.5° | 111.0° |
| N2 | C15 | H13 | 104.2° | 109.4° |
| N2 | C15 | H12 | 104.2° | 109.5° |
| C4 | C5 | C6 | 120.5° | 120.9° |
| C5 | C4 | C3 | 120.4° | 120.1° |
| C5 | C4 | H3 | 119.8° | 119.9° |
| C5 | C6 | N2 | 114.6° | 123.9° |
| C5 | C6 | C1 | 118.1° | 118.4° |
| C11 | C12 | C13 | 121.7° | 120.9° |
| C12 | C11 | C10 | 122.7° | 120.1° |
| C12 | C11 | H9 | 118.6° | 119.9° |
| C12 | C13 | N4 | 115.2° | 123.9° |
| C12 | C13 | C14 | 121.3° | 118.4° |
| C11 | C10 | C9 | 122.0° | 119.6° |
| C10 | C11 | H9 | 118.7° | 120.0° |
| C11 | C10 | H8 | 119.0° | 120.1° |
| C4 | C3 | C2 | 119.5° | 119.6° |
| C4 | C3 | H2 | 120.2° | 120.1° |
| C3 | C4 | H3 | 119.8° | 120.0° |
| C6 | N2 | C17 | 117.9° | 111.2° |
| N2 | C6 | C1 | 127.3° | 117.7° |
| N2 | C17 | C18 | 133.2° | 117.5° |
| N2 | C17 | C19 | 129.3° | 117.5° |
| N2 | C17 | H17 | 109.7° | 115.5° |
| C13 | N4 | C20 | 117.4° | 111.0° |
| N4 | C13 | C14 | 123.5° | 117.6° |
| N4 | C20 | C22 | 130.2° | 117.5° |
| N4 | C20 | C21 | 131.6° | 117.5° |
| N4 | C20 | H22 | 110.0° | 115.6° |
| C10 | C9 | C14 | 122.0° | 120.3° |
| C10 | C9 | C8 | 119.9° | 119.8° |
| C9 | C10 | H8 | 119.0° | 120.2° |
| C3 | C2 | C1 | 120.1° | 120.4° |
| C3 | C2 | C7 | 120.3° | 119.8° |
| C2 | C3 | H2 | 120.3° | 120.3° |
| C6 | C1 | C2 | 121.4° | 120.5° |
| C6 | C1 | H1 | 119.3° | 119.7° |
| C13 | C14 | C9 | 110.3° | 120.5° |
| C13 | C14 | H10 | 124.9° | 119.7° |
| C20 | C22 | C21 | 61.2° | 60.0° |
| C22 | C20 | C21 | 57.7° | 60.0° |
| C20 | C22 | H25 | 119.8° | 117.5° |
| C20 | C22 | H26 | 119.8° | 117.5° |
| C22 | C20 | H22 | 108.9° | 117.5° |
| C22 | C21 | C20 | 61.1° | 60.0° |
| C22 | C21 | H24 | 119.8° | 117.5° |
| C22 | C21 | H23 | 119.8° | 117.5° |
| C21 | C22 | H25 | 119.8° | 117.5° |
| C21 | C22 | H26 | 119.8° | 117.5° |
| C17 | C18 | C19 | 61.2° | 60.0° |
| C18 | C17 | C19 | 57.8° | 60.0° |
| C18 | C17 | H17 | 108.6° | 117.5° |
| C17 | C18 | H18 | 119.8° | 117.5° |
| C17 | C18 | H19 | 119.8° | 117.5° |
| C18 | C19 | C17 | 61.0° | 60.0° |
| C19 | C18 | H18 | 119.8° | 117.5° |
| C19 | C18 | H19 | 119.8° | 117.5° |
| C18 | C19 | H21 | 119.8° | 117.5° |
| C18 | C19 | H20 | 119.8° | 117.5° |
| C19 | C17 | H17 | 108.5° | 117.5° |
| C17 | C19 | H21 | 119.8° | 117.5° |
| C17 | C19 | H20 | 119.9° | 117.5° |
| C20 | C21 | H24 | 119.8° | 117.5° |
| C20 | C21 | H23 | 119.8° | 117.5° |
| C21 | C20 | H22 | 108.9° | 117.5° |
| C14 | C9 | C8 | 118.0° | 119.9° |
| C9 | C14 | H10 | 124.8° | 119.8° |
| C9 | C8 | C7 | 109.3° | 109.4° |
| C9 | C8 | H6 | 109.5° | 109.5° |
| C9 | C8 | H7 | 109.5° | 109.5° |
| C1 | C2 | C7 | 119.6° | 119.8° |
| C2 | C1 | H1 | 119.3° | 119.8° |
| C2 | C7 | C8 | 109.0° | 109.4° |
| C2 | C7 | H5 | 109.6° | 109.5° |
| C2 | C7 | H4 | 109.6° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C8 | C7 | H5 | 109.6° | 109.5° |
| C8 | C7 | H4 | 109.6° | 109.4° |
| H24 | C21 | H23 | 109.5° | 115.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H13 | C15 | H12 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 115.6° |
| H5 | C7 | H4 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 115.6° |
| H21 | C19 | H20 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S2 | N3 | O4 | 125.2° | 134.3° |
| O3 | S2 | N3 | C12 | 118.5° | 112.8° |
| O3 | S2 | N3 | C16 | 143.0° | 149.2° |
| O3 | S2 | O4 | C12 | 119.1° | 124.5° |
| O3 | S2 | C12 | C11 | 47.9° | 60.7° |
| O3 | S2 | C12 | C13 | 132.5° | 120.5° |
| O3 | S2 | N3 | H14 | 95.7° | 30.9° |
| O1 | S1 | N1 | O2 | 125.1° | 134.2° |
| O1 | S1 | N1 | C5 | 118.4° | 112.9° |
| O1 | S1 | O2 | C5 | 118.2° | 124.7° |
| O1 | S1 | N1 | C15 | 136.9° | 149.3° |
| O1 | S1 | C5 | C4 | 51.6° | 60.8° |
| O1 | S1 | C5 | C6 | 128.6° | 120.1° |
| O1 | S1 | N1 | H11 | 101.7° | 30.8° |
| S2 | N3 | C16 | H14 | 121.3° | 179.9° |
| N3 | S2 | O4 | C12 | 123.0° | 110.8° |
| S2 | N3 | C16 | N4 | 21.3° | 63.1° |
| N3 | S2 | C12 | C11 | 166.1° | 173.6° |
| N3 | S2 | C12 | C13 | 14.3° | 7.6° |
| S2 | N3 | C16 | H15 | 101.3° | 56.9° |
| S2 | N3 | C16 | H16 | 143.9° | 177.0° |
| C16 | N3 | S2 | O4 | 91.8° | 76.5° |
| C16 | N3 | S2 | C12 | 24.5° | 36.4° |
| N3 | C16 | N4 | H15 | 122.6° | 120.0° |
| N3 | C16 | N4 | H16 | 122.6° | 120.0° |
| N3 | C16 | N4 | C13 | 5.1° | 59.7° |
| N3 | C16 | N4 | C20 | 167.0° | 69.1° |
| N3 | C16 | H15 | H16 | 111.1° | 120.1° |
| O4 | S2 | C12 | C11 | 77.9° | 73.5° |
| O4 | S2 | C12 | C13 | 101.6° | 105.3° |
| O4 | S2 | N3 | H14 | 29.5° | 103.5° |
| S2 | C12 | C11 | C13 | 179.6° | 178.8° |
| S2 | C12 | C11 | C10 | 179.9° | 177.6° |
| S2 | C12 | C13 | N4 | 0.4° | 5.1° |
| S2 | C12 | C13 | C14 | 180.0° | 177.0° |
| S2 | C12 | C11 | H9 | 0.1° | 2.5° |
| C12 | S2 | N3 | H14 | 145.8° | 143.7° |
| N1 | S1 | O2 | C5 | 123.3° | 110.8° |
| S1 | N1 | C15 | H11 | 121.4° | 180.0° |
| S1 | N1 | C15 | N2 | 17.9° | 63.2° |
| N1 | S1 | C5 | C4 | 170.3° | 173.6° |
| N1 | S1 | C5 | C6 | 10.0° | 7.3° |
| S1 | N1 | C15 | H13 | 104.7° | 56.7° |
| S1 | N1 | C15 | H12 | 140.6° | 177.0° |
| O2 | S1 | N1 | C15 | 98.0° | 76.5° |
| O2 | S1 | C5 | C4 | 73.4° | 73.6° |
| O2 | S1 | C5 | C6 | 106.4° | 105.6° |
| O2 | S1 | N1 | H11 | 23.4° | 103.5° |
| C5 | S1 | N1 | C15 | 18.5° | 36.4° |
| S1 | C5 | C4 | C6 | 179.8° | 179.1° |
| S1 | C5 | C4 | C3 | 179.9° | 177.5° |
| S1 | C5 | C6 | N2 | 0.0° | 4.6° |
| S1 | C5 | C6 | C1 | 179.7° | 176.6° |
| S1 | C5 | C4 | H3 | 0.1° | 2.4° |
| C5 | S1 | N1 | H11 | 139.9° | 143.6° |
| N1 | C15 | N2 | H13 | 122.6° | 120.2° |
| N1 | C15 | N2 | H12 | 122.6° | 119.8° |
| N1 | C15 | N2 | C6 | 6.3° | 59.8° |
| N1 | C15 | N2 | C17 | 170.1° | 69.1° |
| N1 | C15 | H13 | H12 | 110.9° | 120.2° |
| C16 | N4 | C13 | C12 | 5.5° | 30.9° |
| C16 | N4 | C13 | C20 | 172.4° | 128.7° |
| C16 | N4 | C13 | C14 | 174.2° | 151.1° |
| C16 | N4 | C20 | C22 | 34.2° | 61.0° |
| C16 | N4 | C20 | C21 | 113.5° | 7.5° |
| N4 | C16 | H15 | H16 | 111.1° | 120.0° |
| N4 | C16 | N3 | H14 | 142.6° | 117.0° |
| C16 | N4 | C20 | H22 | 105.0° | 153.3° |
| C15 | N2 | C6 | C5 | 3.0° | 30.7° |
| C15 | N2 | C6 | C17 | 176.5° | 128.8° |
| C15 | N2 | C6 | C1 | 177.4° | 150.5° |
| C15 | N2 | C17 | C18 | 38.6° | 124.7° |
| C15 | N2 | C17 | C19 | 118.4° | 56.0° |
| N2 | C15 | H13 | H12 | 110.9° | 120.0° |
| C15 | N2 | C17 | H17 | 104.7° | 89.6° |
| N2 | C15 | N1 | H11 | 139.4° | 116.8° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | N2 | 179.7° | 176.2° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | C1 | 0.1° | 2.5° |
| C5 | C4 | C3 | H2 | 179.7° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 1.6° |
| C5 | C6 | N2 | C1 | 179.6° | 178.8° |
| C5 | C6 | N2 | C17 | 179.5° | 98.1° |
| C5 | C6 | C1 | C2 | 0.3° | 1.9° |
| C5 | C6 | C1 | H1 | 179.7° | 178.5° |
| C6 | C5 | C4 | H3 | 179.8° | 178.4° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C11 | C12 | C13 | N4 | 179.9° | 176.2° |
| C12 | C11 | C10 | C9 | 0.3° | 0.0° |
| C11 | C12 | C13 | C14 | 0.4° | 1.8° |
| C12 | C11 | C10 | H8 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 1.2° |
| C12 | C13 | N4 | C14 | 179.7° | 178.0° |
| C12 | C13 | N4 | C20 | 177.8° | 97.8° |
| C12 | C13 | C14 | C9 | 0.1° | 1.1° |
| C12 | C13 | C14 | H10 | 179.9° | 178.8° |
| C13 | C12 | C11 | H9 | 179.5° | 178.7° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | C14 | 0.0° | 0.7° |
| C11 | C10 | C9 | C8 | 179.9° | 179.3° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.6° |
| C4 | C3 | C2 | C7 | 179.9° | 179.3° |
| C6 | N2 | C17 | C18 | 138.0° | 103.3° |
| C6 | N2 | C17 | C19 | 58.1° | 172.0° |
| N2 | C6 | C1 | C2 | 179.9° | 177.0° |
| N2 | C6 | C1 | H1 | 0.1° | 2.7° |
| C6 | N2 | C15 | H13 | 116.3° | 60.4° |
| C6 | N2 | C15 | H12 | 129.0° | 179.6° |
| C6 | N2 | C17 | H17 | 78.8° | 42.3° |
| C17 | N2 | C6 | C1 | 0.9° | 80.6° |
| N2 | C17 | C18 | C19 | 115.9° | 107.5° |
| N2 | C17 | C18 | H17 | 143.5° | 145.0° |
| N2 | C17 | C19 | H17 | 137.3° | 144.9° |
| C17 | N2 | C15 | H13 | 67.3° | 170.7° |
| C17 | N2 | C15 | H12 | 47.4° | 50.7° |
| N2 | C17 | C18 | H18 | 134.3° | 145.1° |
| N2 | C17 | C18 | H19 | 6.0° | 0.0° |
| N2 | C17 | C19 | H21 | 128.3° | 0.0° |
| N2 | C17 | C19 | H20 | 12.3° | 145.0° |
| C13 | N4 | C20 | C22 | 138.2° | 167.1° |
| C13 | N4 | C20 | C21 | 58.9° | 124.3° |
| N4 | C13 | C14 | C9 | 179.7° | 176.9° |
| N4 | C13 | C14 | H10 | 0.3° | 3.1° |
| C13 | N4 | C16 | H15 | 117.5° | 60.3° |
| C13 | N4 | C16 | H16 | 127.7° | 179.7° |
| C13 | N4 | C20 | H22 | 82.6° | 21.4° |
| C20 | N4 | C13 | C14 | 1.8° | 80.1° |
| N4 | C20 | C22 | C21 | 119.6° | 107.5° |
| N4 | C20 | C22 | H22 | 139.6° | 145.0° |
| N4 | C20 | C21 | H22 | 141.8° | 145.1° |
| N4 | C20 | C21 | H24 | 132.9° | 145.0° |
| N4 | C20 | C21 | H23 | 7.6° | 0.1° |
| C20 | N4 | C16 | H15 | 70.4° | 170.9° |
| C20 | N4 | C16 | H16 | 44.4° | 50.9° |
| N4 | C20 | C22 | H25 | 130.6° | 0.0° |
| N4 | C20 | C22 | H26 | 9.8° | 145.0° |
| C10 | C9 | C14 | C13 | 0.1° | 0.1° |
| C10 | C9 | C14 | C8 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 116.5° | 90.0° |
| C10 | C9 | C14 | H10 | 179.9° | 180.0° |
| C9 | C10 | C11 | H9 | 179.7° | 180.0° |
| C10 | C9 | C8 | H6 | 3.4° | 30.0° |
| C10 | C9 | C8 | H7 | 123.5° | 150.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.3° |
| C3 | C2 | C1 | C7 | 179.8° | 180.0° |
| C3 | C2 | C7 | C8 | 111.0° | 90.0° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C3 | C2 | C7 | H5 | 8.9° | 30.0° |
| C3 | C2 | C7 | H4 | 129.0° | 150.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C7 | 179.6° | 179.7° |
| C13 | C14 | C9 | H10 | 180.0° | 179.9° |
| C13 | C14 | C9 | C8 | 180.0° | 179.9° |
| C20 | C22 | C21 | H25 | 109.8° | 107.4° |
| C20 | C22 | C21 | H26 | 109.8° | 107.5° |
| C22 | C20 | C21 | H22 | 100.9° | 107.5° |
| C20 | C22 | C21 | H24 | 109.8° | 107.5° |
| C20 | C22 | C21 | H23 | 109.8° | 107.5° |
| C20 | C22 | H25 | H26 | 144.1° | 145.6° |
| C22 | C21 | H24 | H23 | 144.2° | 145.7° |
| C21 | C22 | H25 | H26 | 144.1° | 145.8° |
| C17 | C18 | C19 | H18 | 109.8° | 107.5° |
| C17 | C18 | C19 | H19 | 109.8° | 107.5° |
| C18 | C17 | C19 | H17 | 100.7° | 107.5° |
| C17 | C18 | H18 | H19 | 144.0° | 145.7° |
| C17 | C18 | C19 | H21 | 109.7° | 107.5° |
| C17 | C18 | C19 | H20 | 109.8° | 107.5° |
| C19 | C18 | H18 | H19 | 144.1° | 145.7° |
| C18 | C19 | H21 | H20 | 144.2° | 145.6° |
| C17 | C19 | H21 | H20 | 144.2° | 145.8° |
| C20 | C21 | H24 | H23 | 144.1° | 145.6° |
| C14 | C9 | C8 | C7 | 63.6° | 90.0° |
| C14 | C9 | C8 | H6 | 176.4° | 150.0° |
| C14 | C9 | C8 | H7 | 56.3° | 30.0° |
| C14 | C9 | C10 | H8 | 180.0° | 179.4° |
| C9 | C8 | C7 | C2 | 75.4° | 180.0° |
| C9 | C8 | C7 | H6 | 120.0° | 120.0° |
| C9 | C8 | C7 | H7 | 120.0° | 120.0° |
| C8 | C9 | C14 | H10 | 0.1° | 0.0° |
| C9 | C8 | H6 | H7 | 120.1° | 120.0° |
| C8 | C9 | C10 | H8 | 0.1° | 0.6° |
| C9 | C8 | C7 | H5 | 44.6° | 60.0° |
| C9 | C8 | C7 | H4 | 164.7° | 60.0° |
| C1 | C2 | C7 | C8 | 68.8° | 90.0° |
| C1 | C2 | C3 | H2 | 179.9° | 179.4° |
| C1 | C2 | C7 | H5 | 171.3° | 150.0° |
| C1 | C2 | C7 | H4 | 51.1° | 29.9° |
| C2 | C7 | C8 | H5 | 119.9° | 120.0° |
| C2 | C7 | C8 | H4 | 119.9° | 120.0° |
| C7 | C2 | C1 | H1 | 0.4° | 0.0° |
| C7 | C2 | C3 | H2 | 0.1° | 0.6° |
| C2 | C7 | C8 | H6 | 44.6° | 60.0° |
| C2 | C7 | C8 | H7 | 164.7° | 60.0° |
| C2 | C7 | H5 | H4 | 120.2° | 120.0° |
| C7 | C8 | H6 | H7 | 120.1° | 120.0° |
| C8 | C7 | H5 | H4 | 120.2° | 120.0° |
| H2 | C3 | C4 | H3 | 0.3° | 0.0° |
| H9 | C11 | C10 | H8 | 0.3° | 0.1° |
| H24 | C21 | C22 | H25 | 0.0° | 145.1° |
| H24 | C21 | C22 | H26 | 140.5° | 0.0° |
| H24 | C21 | C20 | H22 | 8.9° | 0.1° |
| H23 | C21 | C22 | H25 | 140.4° | 0.1° |
| H23 | C21 | C22 | H26 | 0.0° | 145.0° |
| H23 | C21 | C20 | H22 | 149.4° | 145.0° |
| H6 | C8 | C7 | H5 | 164.5° | 60.0° |
| H6 | C8 | C7 | H4 | 75.3° | 180.0° |
| H7 | C8 | C7 | H5 | 75.4° | 180.0° |
| H7 | C8 | C7 | H4 | 44.7° | 60.0° |
| H13 | C15 | N1 | H11 | 16.8° | 123.2° |
| H12 | C15 | N1 | H11 | 98.0° | 3.0° |
| H15 | C16 | N3 | H14 | 20.0° | 123.0° |
| H16 | C16 | N3 | H14 | 94.8° | 3.0° |
| H17 | C17 | C18 | H18 | 9.2° | 0.1° |
| H17 | C17 | C18 | H19 | 149.6° | 145.0° |
| H17 | C17 | C19 | H21 | 9.0° | 145.0° |
| H17 | C17 | C19 | H20 | 149.6° | 0.1° |
| H25 | C22 | C20 | H22 | 8.9° | 145.0° |
| H26 | C22 | C20 | H22 | 149.3° | 0.0° |
| H18 | C18 | C19 | H21 | 0.1° | 145.0° |
| H18 | C18 | C19 | H20 | 140.4° | 0.0° |
| H19 | C18 | C19 | H21 | 140.5° | 0.0° |
| H19 | C18 | C19 | H20 | 0.0° | 145.0° |
