FWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C13 | sing | 1.53Å | 1.52Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C4 | sing | 1.48Å | 1.46Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C13 | sing | 1.51Å | 1.47Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C14 | sing | 1.51Å | 1.47Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C18 | N2 | sing | 1.46Å | 1.47Å | |
| C15 | N1 | sing | 1.47Å | 1.47Å | |
| N2 | S1 | sing | 1.66Å | 1.62Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| N1 | S2 | sing | 1.66Å | 1.62Å | |
| O4 | S2 | doub | 1.42Å | 1.44Å | |
| S1 | C19 | sing | 1.81Å | 1.66Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S2 | C20 | sing | 1.81Å | 1.67Å | |
| S2 | O3 | doub | 1.42Å | 1.44Å | |
| C20 | C23 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C13 | C7 | 111.1° | 109.5° |
| C17 | C13 | C18 | 112.7° | 109.5° |
| C17 | C13 | H17 | 109.2° | 109.4° |
| C13 | C17 | H18 | 109.5° | 109.5° |
| C13 | C17 | H19 | 109.5° | 109.4° |
| C13 | C17 | H20 | 109.5° | 109.5° |
| C16 | C14 | C1 | 112.3° | 109.4° |
| C16 | C14 | C15 | 112.4° | 109.5° |
| C16 | C14 | H5 | 108.7° | 109.4° |
| C14 | C16 | H6 | 109.5° | 109.5° |
| C14 | C16 | H7 | 109.5° | 109.4° |
| C14 | C16 | H8 | 109.5° | 109.5° |
| C12 | C11 | C10 | 118.3° | 119.9° |
| C11 | C12 | C7 | 119.9° | 120.1° |
| C12 | C11 | H15 | 120.9° | 120.1° |
| C11 | C12 | H16 | 120.1° | 120.0° |
| C11 | C10 | C4 | 123.7° | 120.2° |
| C11 | C10 | C9 | 121.3° | 119.8° |
| C10 | C11 | H15 | 120.8° | 120.0° |
| C6 | C5 | C4 | 118.3° | 119.9° |
| C5 | C6 | C1 | 120.0° | 120.1° |
| C5 | C6 | H9 | 120.0° | 119.9° |
| C6 | C5 | H10 | 120.8° | 120.1° |
| C5 | C4 | C10 | 124.2° | 120.1° |
| C5 | C4 | C3 | 121.3° | 119.8° |
| C4 | C5 | H10 | 120.8° | 120.1° |
| C12 | C7 | C13 | 120.8° | 119.9° |
| C12 | C7 | C8 | 121.3° | 120.2° |
| C7 | C12 | H16 | 120.0° | 119.9° |
| C6 | C1 | C14 | 121.4° | 119.9° |
| C6 | C1 | C2 | 121.0° | 120.3° |
| C1 | C6 | H9 | 120.0° | 120.0° |
| C4 | C10 | C9 | 114.2° | 120.0° |
| C10 | C4 | C3 | 113.9° | 120.2° |
| C10 | C9 | C8 | 120.4° | 119.8° |
| C10 | C9 | H13 | 119.8° | 120.1° |
| C4 | C3 | C2 | 120.3° | 119.9° |
| C4 | C3 | H11 | 119.9° | 120.0° |
| C13 | C7 | C8 | 117.9° | 119.9° |
| C7 | C13 | C18 | 104.7° | 109.5° |
| C7 | C13 | H17 | 110.0° | 109.5° |
| C7 | C8 | C9 | 118.6° | 120.1° |
| C7 | C8 | H14 | 120.7° | 119.9° |
| C14 | C1 | C2 | 117.6° | 119.8° |
| C1 | C14 | C15 | 105.3° | 109.5° |
| C1 | C14 | H5 | 109.4° | 109.5° |
| C1 | C2 | C3 | 118.9° | 120.1° |
| C1 | C2 | H12 | 120.5° | 120.0° |
| C13 | C18 | N2 | 112.7° | 109.4° |
| C18 | C13 | H17 | 109.0° | 109.4° |
| C13 | C18 | H21 | 108.7° | 109.4° |
| C13 | C18 | H22 | 108.6° | 109.5° |
| C8 | C9 | H13 | 119.8° | 120.1° |
| C9 | C8 | H14 | 120.7° | 119.9° |
| C2 | C3 | H11 | 119.8° | 120.1° |
| C3 | C2 | H12 | 120.5° | 119.9° |
| C14 | C15 | N1 | 113.9° | 109.5° |
| C14 | C15 | H3 | 108.4° | 109.5° |
| C14 | C15 | H4 | 108.4° | 109.5° |
| C15 | C14 | H5 | 108.5° | 109.5° |
| C18 | N2 | S1 | 122.7° | 120.0° |
| N2 | C18 | H21 | 108.6° | 109.5° |
| N2 | C18 | H22 | 108.7° | 109.5° |
| C18 | N2 | H23 | 106.1° | 120.0° |
| C15 | N1 | S2 | 121.9° | 120.0° |
| C15 | N1 | H2 | 106.3° | 120.0° |
| N1 | C15 | H3 | 108.3° | 109.5° |
| N1 | C15 | H4 | 108.3° | 109.4° |
| N2 | S1 | O1 | 111.1° | 104.3° |
| N2 | S1 | C19 | 107.2° | 104.5° |
| N2 | S1 | O2 | 111.5° | 104.3° |
| S1 | N2 | H23 | 106.1° | 120.0° |
| O1 | S1 | C19 | 110.0° | 110.5° |
| O1 | S1 | O2 | 107.0° | 121.1° |
| N1 | S2 | O4 | 111.2° | 104.3° |
| N1 | S2 | C20 | 107.6° | 104.5° |
| N1 | S2 | O3 | 111.6° | 104.3° |
| S2 | N1 | H2 | 106.3° | 120.0° |
| O4 | S2 | C20 | 109.8° | 110.6° |
| O4 | S2 | O3 | 107.1° | 121.0° |
| C19 | S1 | O2 | 110.0° | 110.5° |
| S1 | C19 | C21 | 110.5° | 109.5° |
| S1 | C19 | C22 | 108.1° | 109.5° |
| S1 | C19 | H24 | 107.7° | 109.5° |
| C20 | S2 | O3 | 109.6° | 110.5° |
| S2 | C20 | C23 | 110.4° | 109.5° |
| S2 | C20 | C24 | 108.5° | 109.4° |
| S2 | C20 | H1 | 107.7° | 109.5° |
| C23 | C20 | C24 | 111.3° | 109.5° |
| C23 | C20 | H1 | 109.4° | 109.5° |
| C20 | C23 | H31 | 109.5° | 109.5° |
| C20 | C23 | H32 | 109.5° | 109.5° |
| C20 | C23 | H33 | 109.5° | 109.5° |
| C24 | C20 | H1 | 109.4° | 109.5° |
| C20 | C24 | H34 | 109.5° | 109.4° |
| C20 | C24 | H35 | 109.5° | 109.4° |
| C20 | C24 | H36 | 109.5° | 109.4° |
| C21 | C19 | C22 | 111.6° | 109.5° |
| C21 | C19 | H24 | 109.4° | 109.4° |
| C19 | C21 | H25 | 109.5° | 109.5° |
| C19 | C21 | H26 | 109.4° | 109.5° |
| C19 | C21 | H27 | 109.5° | 109.4° |
| C22 | C19 | H24 | 109.4° | 109.5° |
| C19 | C22 | H28 | 109.5° | 109.5° |
| C19 | C22 | H29 | 109.4° | 109.5° |
| C19 | C22 | H30 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.4° | 109.4° |
| H6 | C16 | H8 | 109.4° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H20 | 109.4° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.4° | 109.5° |
| H25 | C21 | H27 | 109.4° | 109.4° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| H28 | C22 | H30 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.4° | 109.4° |
| H31 | C23 | H33 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| H34 | C24 | H36 | 109.4° | 109.5° |
| H35 | C24 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C13 | C7 | C12 | 57.1° | 120.0° |
| C17 | C13 | C7 | C18 | 121.9° | 120.0° |
| C17 | C13 | C7 | H17 | 121.1° | 120.0° |
| C17 | C13 | C7 | C8 | 125.5° | 60.2° |
| C17 | C13 | C18 | H17 | 121.5° | 120.0° |
| C17 | C13 | C18 | N2 | 157.4° | 65.0° |
| C13 | C17 | H18 | H19 | 120.0° | 119.9° |
| C13 | C17 | H18 | H20 | 120.0° | 120.0° |
| C13 | C17 | H19 | H20 | 120.0° | 120.0° |
| C17 | C13 | C18 | H21 | 82.1° | 55.0° |
| C17 | C13 | C18 | H22 | 36.9° | 175.1° |
| C16 | C14 | C1 | C6 | 59.5° | 59.7° |
| C16 | C14 | C1 | C15 | 122.7° | 120.0° |
| C16 | C14 | C1 | H5 | 120.8° | 120.0° |
| C16 | C14 | C1 | C2 | 123.3° | 120.0° |
| C16 | C14 | C15 | H5 | 120.3° | 120.0° |
| C16 | C14 | C15 | N1 | 160.9° | 65.0° |
| C16 | C14 | C15 | H3 | 78.5° | 175.0° |
| C16 | C14 | C15 | H4 | 40.2° | 55.0° |
| C14 | C16 | H6 | H7 | 120.0° | 119.9° |
| C14 | C16 | H6 | H8 | 120.0° | 120.1° |
| C14 | C16 | H7 | H8 | 120.0° | 120.0° |
| C12 | C11 | C10 | H15 | 180.0° | 180.0° |
| C11 | C12 | C7 | H16 | 180.0° | 180.0° |
| C12 | C11 | C10 | C4 | 174.8° | 180.0° |
| C12 | C11 | C10 | C9 | 5.6° | 0.3° |
| C11 | C12 | C7 | C13 | 177.6° | 179.9° |
| C11 | C12 | C7 | C8 | 0.3° | 0.3° |
| C11 | C10 | C4 | C5 | 149.8° | 0.3° |
| C10 | C11 | C12 | C7 | 2.8° | 0.0° |
| C11 | C10 | C4 | C9 | 169.8° | 179.6° |
| C11 | C10 | C4 | C3 | 39.3° | 179.7° |
| C11 | C10 | C9 | C8 | 5.4° | 0.4° |
| C11 | C10 | C9 | H13 | 174.6° | 179.8° |
| C10 | C11 | C12 | H16 | 177.2° | 180.0° |
| C6 | C5 | C4 | H10 | 180.0° | 180.0° |
| C5 | C6 | C1 | H9 | 180.0° | 179.9° |
| C6 | C5 | C4 | C10 | 175.0° | 180.0° |
| C6 | C5 | C4 | C3 | 4.7° | 0.0° |
| C5 | C6 | C1 | C14 | 177.7° | 180.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.3° |
| C4 | C5 | C6 | C1 | 2.1° | 0.1° |
| C5 | C4 | C10 | C3 | 170.9° | 180.0° |
| C5 | C4 | C10 | C9 | 40.4° | 180.0° |
| C5 | C4 | C3 | C2 | 4.5° | 0.2° |
| C4 | C5 | C6 | H9 | 177.9° | 180.0° |
| C5 | C4 | C3 | H11 | 175.5° | 180.0° |
| C12 | C7 | C13 | C8 | 177.4° | 179.8° |
| C12 | C7 | C13 | C18 | 64.9° | 120.0° |
| C12 | C7 | C8 | C9 | 0.7° | 0.2° |
| C12 | C7 | C8 | H14 | 179.3° | 179.7° |
| C7 | C12 | C11 | H15 | 177.2° | 180.0° |
| C12 | C7 | C13 | H17 | 178.2° | 0.0° |
| C6 | C1 | C14 | C2 | 177.2° | 179.7° |
| C6 | C1 | C2 | C3 | 0.9° | 0.6° |
| C6 | C1 | C14 | C15 | 63.1° | 60.3° |
| C6 | C1 | C14 | H5 | 179.6° | 179.7° |
| C1 | C6 | C5 | H10 | 177.9° | 179.9° |
| C6 | C1 | C2 | H12 | 179.1° | 179.7° |
| C4 | C10 | C9 | C8 | 175.5° | 180.0° |
| C10 | C4 | C3 | C2 | 175.7° | 179.8° |
| C10 | C4 | C5 | H10 | 5.1° | 0.0° |
| C10 | C4 | C3 | H11 | 4.3° | 0.0° |
| C4 | C10 | C9 | H13 | 4.5° | 0.1° |
| C4 | C10 | C11 | H15 | 5.2° | 0.0° |
| C9 | C10 | C4 | C3 | 130.5° | 0.0° |
| C10 | C9 | C8 | C7 | 2.1° | 0.1° |
| C10 | C9 | C8 | H13 | 180.0° | 179.9° |
| C10 | C9 | C8 | H14 | 177.9° | 180.0° |
| C9 | C10 | C11 | H15 | 174.4° | 179.7° |
| C4 | C3 | C2 | C1 | 1.6° | 0.5° |
| C4 | C3 | C2 | H11 | 180.0° | 179.8° |
| C3 | C4 | C5 | H10 | 175.3° | 180.0° |
| C4 | C3 | C2 | H12 | 178.4° | 179.8° |
| C7 | C13 | C18 | H17 | 117.6° | 120.0° |
| C13 | C7 | C8 | C9 | 178.0° | 180.0° |
| C7 | C13 | C18 | N2 | 36.5° | 175.0° |
| C13 | C7 | C8 | H14 | 2.0° | 0.1° |
| C13 | C7 | C12 | H16 | 2.4° | 0.0° |
| C7 | C13 | C17 | H18 | 180.0° | 60.0° |
| C7 | C13 | C17 | H19 | 60.0° | 60.0° |
| C7 | C13 | C17 | H20 | 60.0° | 180.0° |
| C7 | C13 | C18 | H21 | 157.0° | 65.1° |
| C7 | C13 | C18 | H22 | 84.0° | 55.0° |
| C8 | C7 | C13 | C18 | 112.5° | 59.8° |
| C7 | C8 | C9 | H14 | 180.0° | 179.9° |
| C7 | C8 | C9 | H13 | 177.9° | 179.9° |
| C8 | C7 | C12 | H16 | 179.7° | 179.8° |
| C8 | C7 | C13 | H17 | 4.5° | 179.8° |
| C14 | C1 | C2 | C3 | 178.1° | 179.7° |
| C1 | C14 | C15 | H5 | 117.1° | 120.1° |
| C1 | C14 | C15 | N1 | 38.3° | 175.0° |
| C1 | C14 | C15 | H3 | 158.9° | 55.0° |
| C1 | C14 | C15 | H4 | 82.4° | 65.0° |
| C1 | C14 | C16 | H6 | 180.0° | 60.1° |
| C1 | C14 | C16 | H7 | 60.0° | 180.0° |
| C1 | C14 | C16 | H8 | 60.0° | 60.0° |
| C14 | C1 | C6 | H9 | 2.3° | 0.0° |
| C14 | C1 | C2 | H12 | 1.9° | 0.0° |
| C1 | C2 | C3 | H12 | 180.0° | 179.7° |
| C2 | C1 | C14 | C15 | 114.0° | 120.0° |
| C2 | C1 | C14 | H5 | 2.5° | 0.0° |
| C2 | C1 | C6 | H9 | 179.3° | 179.8° |
| C1 | C2 | C3 | H11 | 178.4° | 179.7° |
| C13 | C18 | N2 | H21 | 120.5° | 119.9° |
| C13 | C18 | N2 | H22 | 120.5° | 120.0° |
| C13 | C18 | N2 | S1 | 148.5° | 165.0° |
| C18 | C13 | C17 | H18 | 62.9° | 180.0° |
| C18 | C13 | C17 | H19 | 177.1° | 60.0° |
| C18 | C13 | C17 | H20 | 57.1° | 60.0° |
| C13 | C18 | H21 | H22 | 118.5° | 120.0° |
| C13 | C18 | N2 | H23 | 26.6° | 15.1° |
| C14 | C15 | N1 | H3 | 120.7° | 120.0° |
| C14 | C15 | N1 | H4 | 120.7° | 120.0° |
| C14 | C15 | N1 | S2 | 150.3° | 165.0° |
| C14 | C15 | N1 | H2 | 28.5° | 15.0° |
| C14 | C15 | H3 | H4 | 118.0° | 120.0° |
| C15 | C14 | C16 | H6 | 61.4° | 59.9° |
| C15 | C14 | C16 | H7 | 178.6° | 60.0° |
| C15 | C14 | C16 | H8 | 58.6° | 180.0° |
| C18 | N2 | S1 | H23 | 121.8° | 180.0° |
| C18 | N2 | S1 | O1 | 77.1° | 178.9° |
| C18 | N2 | S1 | C19 | 43.2° | 65.0° |
| C18 | N2 | S1 | O2 | 163.7° | 51.1° |
| N2 | C18 | C13 | H17 | 81.1° | 55.0° |
| N2 | C18 | H21 | H22 | 118.5° | 120.0° |
| C15 | N1 | S2 | H2 | 121.7° | 180.0° |
| C15 | N1 | S2 | O4 | 80.5° | 178.9° |
| C15 | N1 | S2 | C20 | 39.7° | 64.9° |
| C15 | N1 | S2 | O3 | 160.0° | 51.1° |
| N1 | C15 | H3 | H4 | 117.9° | 120.0° |
| N1 | C15 | C14 | H5 | 78.9° | 55.0° |
| N2 | S1 | O1 | C19 | 118.6° | 111.7° |
| N2 | S1 | O1 | O2 | 121.9° | 116.7° |
| N2 | S1 | C19 | O2 | 121.5° | 111.6° |
| N2 | S1 | C19 | C21 | 168.6° | 59.9° |
| N2 | S1 | C19 | C22 | 69.0° | 180.0° |
| S1 | N2 | C18 | H21 | 91.1° | 45.0° |
| S1 | N2 | C18 | H22 | 28.0° | 75.0° |
| N2 | S1 | C19 | H24 | 49.2° | 60.0° |
| O1 | S1 | C19 | O2 | 117.6° | 136.8° |
| O1 | S1 | C19 | C21 | 47.7° | 51.7° |
| O1 | S1 | C19 | C22 | 170.1° | 68.4° |
| O1 | S1 | N2 | H23 | 44.8° | 1.1° |
| O1 | S1 | C19 | H24 | 71.8° | 171.6° |
| N1 | S2 | O4 | C20 | 119.0° | 111.8° |
| N1 | S2 | O4 | O3 | 122.2° | 116.7° |
| N1 | S2 | C20 | O3 | 121.5° | 111.6° |
| N1 | S2 | C20 | C23 | 168.6° | 60.0° |
| N1 | S2 | C20 | C24 | 69.2° | 180.0° |
| N1 | S2 | C20 | H1 | 49.2° | 60.0° |
| S2 | N1 | C15 | H3 | 89.1° | 74.9° |
| S2 | N1 | C15 | H4 | 29.6° | 45.0° |
| O4 | S2 | C20 | O3 | 117.4° | 136.8° |
| O4 | S2 | C20 | C23 | 47.4° | 51.6° |
| O4 | S2 | C20 | C24 | 169.6° | 68.4° |
| O4 | S2 | C20 | H1 | 72.0° | 171.7° |
| O4 | S2 | N1 | H2 | 41.3° | 1.1° |
| S1 | C19 | C21 | C22 | 120.3° | 120.1° |
| S1 | C19 | C21 | H24 | 118.5° | 119.9° |
| S1 | C19 | C22 | H24 | 117.1° | 120.0° |
| C19 | S1 | N2 | H23 | 165.0° | 115.0° |
| S1 | C19 | C21 | H25 | 180.0° | 180.0° |
| S1 | C19 | C21 | H26 | 60.0° | 59.9° |
| S1 | C19 | C21 | H27 | 60.0° | 60.1° |
| S1 | C19 | C22 | H28 | 180.0° | 60.0° |
| S1 | C19 | C22 | H29 | 60.0° | 180.0° |
| S1 | C19 | C22 | H30 | 60.0° | 60.0° |
| O2 | S1 | C19 | C21 | 69.9° | 171.6° |
| O2 | S1 | C19 | C22 | 52.5° | 68.4° |
| O2 | S1 | N2 | H23 | 74.5° | 129.0° |
| O2 | S1 | C19 | H24 | 170.6° | 51.6° |
| S2 | C20 | C23 | C24 | 120.6° | 120.0° |
| S2 | C20 | C23 | H1 | 118.4° | 120.0° |
| S2 | C20 | C24 | H1 | 117.3° | 120.0° |
| C20 | S2 | N1 | H2 | 161.5° | 115.0° |
| S2 | C20 | C23 | H31 | 180.0° | 60.0° |
| S2 | C20 | C23 | H32 | 60.0° | 180.0° |
| S2 | C20 | C23 | H33 | 60.0° | 60.0° |
| S2 | C20 | C24 | H34 | 180.0° | 60.0° |
| S2 | C20 | C24 | H35 | 60.0° | 180.0° |
| S2 | C20 | C24 | H36 | 60.0° | 60.0° |
| O3 | S2 | C20 | C23 | 69.9° | 171.6° |
| O3 | S2 | C20 | C24 | 52.3° | 68.4° |
| O3 | S2 | C20 | H1 | 170.7° | 51.6° |
| O3 | S2 | N1 | H2 | 78.3° | 128.9° |
| C23 | C20 | C24 | H1 | 121.0° | 120.1° |
| C20 | C23 | H31 | H32 | 120.0° | 120.0° |
| C20 | C23 | H31 | H33 | 120.0° | 120.0° |
| C20 | C23 | H32 | H33 | 120.0° | 120.0° |
| C23 | C20 | C24 | H34 | 58.3° | 180.0° |
| C23 | C20 | C24 | H35 | 61.7° | 60.0° |
| C23 | C20 | C24 | H36 | 178.3° | 60.0° |
| C24 | C20 | C23 | H31 | 59.4° | 59.9° |
| C24 | C20 | C23 | H32 | 179.4° | 60.0° |
| C24 | C20 | C23 | H33 | 60.6° | 180.0° |
| C20 | C24 | H34 | H35 | 120.0° | 119.9° |
| C20 | C24 | H34 | H36 | 120.0° | 120.0° |
| C20 | C24 | H35 | H36 | 120.0° | 119.9° |
| C21 | C19 | C22 | H24 | 121.2° | 119.9° |
| C19 | C21 | H25 | H26 | 120.0° | 120.1° |
| C19 | C21 | H25 | H27 | 120.0° | 119.9° |
| C19 | C21 | H26 | H27 | 120.0° | 120.0° |
| C21 | C19 | C22 | H28 | 58.3° | 180.0° |
| C21 | C19 | C22 | H29 | 61.7° | 60.0° |
| C21 | C19 | C22 | H30 | 178.3° | 60.1° |
| C22 | C19 | C21 | H25 | 59.7° | 59.9° |
| C22 | C19 | C21 | H26 | 179.7° | 180.0° |
| C22 | C19 | C21 | H27 | 60.3° | 60.0° |
| C19 | C22 | H28 | H29 | 120.0° | 120.0° |
| C19 | C22 | H28 | H30 | 120.0° | 120.0° |
| C19 | C22 | H29 | H30 | 120.0° | 120.0° |
| H1 | C20 | C23 | H31 | 61.6° | 180.0° |
| H1 | C20 | C23 | H32 | 58.4° | 60.0° |
| H1 | C20 | C23 | H33 | 178.4° | 59.9° |
| H1 | C20 | C24 | H34 | 62.7° | 59.9° |
| H1 | C20 | C24 | H35 | 177.3° | 60.0° |
| H1 | C20 | C24 | H36 | 57.3° | 180.0° |
| H2 | N1 | C15 | H3 | 149.2° | 105.0° |
| H2 | N1 | C15 | H4 | 92.1° | 135.0° |
| H3 | C15 | C14 | H5 | 41.8° | 65.0° |
| H4 | C15 | C14 | H5 | 160.5° | 175.0° |
| H5 | C14 | C16 | H6 | 58.7° | 179.9° |
| H5 | C14 | C16 | H7 | 61.2° | 60.0° |
| H5 | C14 | C16 | H8 | 178.7° | 60.0° |
| H6 | C16 | H7 | H8 | 120.0° | 120.1° |
| H9 | C6 | C5 | H10 | 2.1° | 0.0° |
| H11 | C3 | C2 | H12 | 1.6° | 0.0° |
| H13 | C9 | C8 | H14 | 2.1° | 0.1° |
| H15 | C11 | C12 | H16 | 2.8° | 0.0° |
| H17 | C13 | C17 | H18 | 58.5° | 60.1° |
| H17 | C13 | C17 | H19 | 61.5° | 180.0° |
| H17 | C13 | C17 | H20 | 178.5° | 60.0° |
| H17 | C13 | C18 | H21 | 39.3° | 175.0° |
| H17 | C13 | C18 | H22 | 158.4° | 65.0° |
| H18 | C17 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | N2 | H23 | 147.1° | 135.0° |
| H22 | C18 | N2 | H23 | 93.8° | 104.9° |
| H24 | C19 | C21 | H25 | 61.5° | 60.1° |
| H24 | C19 | C21 | H26 | 58.5° | 60.0° |
| H24 | C19 | C21 | H27 | 178.5° | 180.0° |
| H24 | C19 | C22 | H28 | 62.9° | 60.1° |
| H24 | C19 | C22 | H29 | 177.0° | 60.0° |
| H24 | C19 | C22 | H30 | 57.0° | 180.0° |
| H25 | C21 | H26 | H27 | 120.0° | 120.0° |
| H28 | C22 | H29 | H30 | 120.0° | 120.0° |
| H31 | C23 | H32 | H33 | 120.0° | 120.0° |
| H34 | C24 | H35 | H36 | 119.9° | 120.1° |
