XOU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.40Å | |
| C7 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| O4 | C24 | doub | 1.21Å | 1.26Å | |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C13 | sing | 1.48Å | 1.51Å | |
| O1 | C13 | doub | 1.22Å | 1.23Å | |
| C24 | O3 | sing | 1.34Å | 1.25Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C13 | N1 | sing | 1.35Å | 1.35Å | |
| N2 | C23 | sing | 1.47Å | 1.48Å | |
| N2 | C22 | sing | 1.35Å | 1.34Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| N1 | C22 | sing | 1.35Å | 1.34Å | |
| N1 | C14 | sing | 1.46Å | 1.46Å | |
| C22 | O2 | doub | 1.22Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C25 | S1 | sing | 1.81Å | 1.75Å | |
| S1 | C26 | sing | 1.81Å | 1.78Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 119.4° | 120.2° |
| C4 | C3 | C2 | 119.8° | 120.2° |
| C4 | C3 | H4 | 120.1° | 119.9° |
| C3 | C4 | H5 | 120.3° | 119.9° |
| C4 | C5 | C6 | 121.0° | 119.9° |
| C5 | C4 | H5 | 120.3° | 119.9° |
| C4 | C5 | H6 | 119.5° | 120.1° |
| C3 | C2 | C1 | 120.7° | 120.1° |
| C3 | C2 | H3 | 119.7° | 119.9° |
| C2 | C3 | H4 | 120.1° | 119.8° |
| C5 | C6 | C1 | 119.3° | 119.7° |
| C5 | C6 | C7 | 119.2° | 120.1° |
| C6 | C5 | H6 | 119.5° | 120.0° |
| C2 | C1 | C6 | 119.8° | 119.9° |
| C2 | C1 | H2 | 120.1° | 120.0° |
| C1 | C2 | H3 | 119.6° | 120.0° |
| C1 | C6 | C7 | 121.4° | 120.1° |
| C6 | C1 | H2 | 120.1° | 120.1° |
| C6 | C7 | C8 | 122.1° | 120.0° |
| C6 | C7 | C12 | 119.4° | 120.0° |
| C8 | C7 | C12 | 118.5° | 120.0° |
| C7 | C8 | C9 | 122.2° | 120.0° |
| C7 | C8 | H7 | 118.9° | 120.0° |
| C7 | C12 | C11 | 118.8° | 120.1° |
| C7 | C12 | H10 | 120.6° | 119.9° |
| C8 | C9 | C10 | 119.7° | 120.0° |
| C9 | C8 | H7 | 118.9° | 120.0° |
| C8 | C9 | H8 | 120.1° | 120.0° |
| C12 | C11 | C10 | 123.7° | 120.0° |
| C12 | C11 | H9 | 118.2° | 120.0° |
| C11 | C12 | H10 | 120.6° | 120.0° |
| O4 | C24 | O3 | 123.2° | 120.0° |
| O4 | C24 | C23 | 119.2° | 120.0° |
| C9 | C10 | C11 | 116.7° | 120.0° |
| C9 | C10 | C13 | 128.7° | 120.0° |
| C10 | C9 | H8 | 120.2° | 120.0° |
| C11 | C10 | C13 | 113.7° | 120.0° |
| C10 | C11 | H9 | 118.1° | 120.0° |
| C10 | C13 | O1 | 115.4° | 120.0° |
| C10 | C13 | N1 | 124.2° | 120.0° |
| O1 | C13 | N1 | 120.1° | 120.0° |
| O3 | C24 | C23 | 117.7° | 120.0° |
| C24 | O3 | H30 | 109.5° | 117.0° |
| C24 | C23 | N2 | 110.1° | 109.5° |
| C24 | C23 | C25 | 106.2° | 109.5° |
| C24 | C23 | H20 | 104.9° | 109.4° |
| C13 | N1 | C22 | 119.0° | 120.0° |
| C13 | N1 | C14 | 125.1° | 120.0° |
| C23 | N2 | C22 | 121.3° | 120.0° |
| N2 | C23 | C25 | 124.2° | 109.4° |
| C23 | N2 | H1 | 119.3° | 120.0° |
| N2 | C23 | H20 | 105.2° | 109.5° |
| N2 | C22 | N1 | 124.4° | 120.0° |
| N2 | C22 | O2 | 117.2° | 120.0° |
| C22 | N2 | H1 | 119.3° | 120.0° |
| C23 | C25 | S1 | 116.7° | 109.4° |
| C25 | C23 | H20 | 104.7° | 109.5° |
| C23 | C25 | H21 | 107.6° | 109.5° |
| C23 | C25 | H22 | 107.6° | 109.4° |
| C22 | N1 | C14 | 115.6° | 120.0° |
| N1 | C22 | O2 | 116.8° | 120.0° |
| N1 | C14 | C15 | 107.8° | 109.4° |
| N1 | C14 | H11 | 109.9° | 109.5° |
| N1 | C14 | H12 | 109.9° | 109.5° |
| C14 | C15 | C16 | 122.0° | 120.0° |
| C14 | C15 | C21 | 119.8° | 120.0° |
| C15 | C14 | H11 | 109.9° | 109.5° |
| C15 | C14 | H12 | 109.9° | 109.5° |
| C25 | S1 | C26 | 91.9° | 103.0° |
| S1 | C25 | H21 | 107.6° | 109.5° |
| S1 | C25 | H22 | 107.7° | 109.5° |
| S1 | C26 | C27 | 117.2° | 109.5° |
| S1 | C26 | H23 | 107.5° | 109.4° |
| S1 | C26 | H24 | 107.5° | 109.5° |
| C16 | C15 | C21 | 118.2° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C15 | C16 | H13 | 119.9° | 120.1° |
| C15 | C21 | C20 | 121.8° | 120.0° |
| C15 | C21 | H19 | 119.1° | 120.0° |
| C16 | C17 | C18 | 120.8° | 120.0° |
| C17 | C16 | H13 | 119.9° | 120.0° |
| C16 | C17 | H14 | 119.6° | 120.0° |
| C26 | C27 | C28 | 121.3° | 120.0° |
| C26 | C27 | C32 | 119.1° | 120.0° |
| C27 | C26 | H23 | 107.5° | 109.5° |
| C27 | C26 | H24 | 107.5° | 109.5° |
| C21 | C20 | C18 | 119.9° | 120.0° |
| C21 | C20 | H18 | 120.0° | 120.1° |
| C20 | C21 | H19 | 119.1° | 119.9° |
| C17 | C18 | C20 | 119.0° | 120.0° |
| C17 | C18 | C19 | 121.3° | 120.0° |
| C18 | C17 | H14 | 119.6° | 120.0° |
| C28 | C27 | C32 | 119.5° | 120.0° |
| C27 | C28 | C29 | 120.3° | 120.0° |
| C27 | C28 | H25 | 119.8° | 120.0° |
| C27 | C32 | C31 | 120.3° | 120.0° |
| C27 | C32 | H29 | 119.8° | 120.0° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C29 | C28 | H25 | 119.8° | 120.0° |
| C28 | C29 | H26 | 120.0° | 120.0° |
| C32 | C31 | C30 | 119.8° | 120.0° |
| C32 | C31 | H28 | 120.1° | 120.0° |
| C31 | C32 | H29 | 119.8° | 120.0° |
| C20 | C18 | C19 | 119.7° | 120.0° |
| C18 | C20 | H18 | 120.0° | 120.0° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C29 | C30 | C31 | 120.0° | 120.0° |
| C30 | C29 | H26 | 120.0° | 120.0° |
| C29 | C30 | H27 | 120.0° | 120.0° |
| C31 | C30 | H27 | 120.0° | 120.0° |
| C30 | C31 | H28 | 120.1° | 120.0° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.5° | 0.3° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C4 | C3 | C2 | H3 | 179.5° | 180.0° |
| C3 | C4 | C5 | H6 | 178.5° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 1.6° | 0.6° |
| C4 | C5 | C6 | C7 | 179.3° | 180.0° |
| C5 | C4 | C3 | H4 | 179.6° | 179.9° |
| C3 | C2 | C1 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.4° | 0.3° |
| C3 | C2 | C1 | H2 | 179.6° | 180.0° |
| C2 | C3 | C4 | H5 | 179.6° | 180.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.6° |
| C5 | C6 | C1 | C7 | 177.6° | 179.4° |
| C5 | C6 | C7 | C8 | 32.7° | 180.0° |
| C5 | C6 | C7 | C12 | 145.0° | 0.3° |
| C5 | C6 | C1 | H2 | 179.3° | 179.7° |
| C6 | C5 | C4 | H5 | 178.5° | 179.7° |
| C2 | C1 | C6 | H2 | 180.0° | 179.7° |
| C2 | C1 | C6 | C7 | 178.3° | 180.0° |
| C1 | C2 | C3 | H4 | 179.5° | 179.9° |
| C1 | C6 | C7 | C8 | 149.7° | 0.6° |
| C1 | C6 | C7 | C12 | 32.6° | 179.1° |
| C6 | C1 | C2 | H3 | 179.6° | 179.7° |
| C1 | C6 | C5 | H6 | 178.4° | 179.7° |
| C6 | C7 | C8 | C12 | 177.7° | 179.7° |
| C6 | C7 | C8 | C9 | 178.3° | 180.0° |
| C6 | C7 | C12 | C11 | 177.6° | 179.7° |
| C7 | C6 | C1 | H2 | 1.7° | 0.3° |
| C7 | C6 | C5 | H6 | 0.7° | 0.2° |
| C6 | C7 | C8 | H7 | 1.7° | 0.1° |
| C6 | C7 | C12 | H10 | 2.4° | 0.0° |
| C7 | C8 | C9 | H7 | 180.0° | 179.9° |
| C8 | C7 | C12 | C11 | 0.1° | 0.6° |
| C7 | C8 | C9 | C10 | 2.9° | 0.0° |
| C7 | C8 | C9 | H8 | 177.2° | 180.0° |
| C8 | C7 | C12 | H10 | 179.9° | 179.7° |
| C12 | C7 | C8 | C9 | 0.5° | 0.3° |
| C7 | C12 | C11 | H10 | 180.0° | 179.7° |
| C7 | C12 | C11 | C10 | 4.3° | 0.6° |
| C12 | C7 | C8 | H7 | 179.5° | 179.7° |
| C7 | C12 | C11 | H9 | 175.7° | 179.7° |
| C8 | C9 | C10 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 6.6° | 0.0° |
| C8 | C9 | C10 | C13 | 175.1° | 180.0° |
| C12 | C11 | C10 | C9 | 7.5° | 0.3° |
| C12 | C11 | C10 | H9 | 180.0° | 179.7° |
| C12 | C11 | C10 | C13 | 177.8° | 179.7° |
| O4 | C24 | O3 | C23 | 179.2° | 179.9° |
| O4 | C24 | C23 | N2 | 4.6° | 0.0° |
| O4 | C24 | C23 | C25 | 141.4° | 120.0° |
| O4 | C24 | C23 | H20 | 108.1° | 120.0° |
| O4 | C24 | O3 | H30 | 0.0° | 0.1° |
| C9 | C10 | C11 | C13 | 170.2° | 179.9° |
| C9 | C10 | C13 | O1 | 48.6° | 31.2° |
| C9 | C10 | C13 | N1 | 137.7° | 148.8° |
| C10 | C9 | C8 | H7 | 177.1° | 180.0° |
| C9 | C10 | C11 | H9 | 172.5° | 180.0° |
| C11 | C10 | C13 | O1 | 120.2° | 148.8° |
| C11 | C10 | C13 | N1 | 53.5° | 31.1° |
| C11 | C10 | C9 | H8 | 173.5° | 180.0° |
| C10 | C11 | C12 | H10 | 175.7° | 179.7° |
| C10 | C13 | O1 | N1 | 174.0° | 179.9° |
| C10 | C13 | N1 | C22 | 167.4° | 178.0° |
| C10 | C13 | N1 | C14 | 5.7° | 1.6° |
| C13 | C10 | C9 | H8 | 5.0° | 0.0° |
| C13 | C10 | C11 | H9 | 2.2° | 0.0° |
| O1 | C13 | N1 | C22 | 6.0° | 2.1° |
| O1 | C13 | N1 | C14 | 179.1° | 178.3° |
| O3 | C24 | C23 | N2 | 176.1° | 179.9° |
| O3 | C24 | C23 | C25 | 39.3° | 60.0° |
| O3 | C24 | C23 | H20 | 71.2° | 60.1° |
| C24 | C23 | N2 | C25 | 127.4° | 120.0° |
| C24 | C23 | N2 | H20 | 112.5° | 120.0° |
| C24 | C23 | N2 | C22 | 145.9° | 85.0° |
| C24 | C23 | C25 | H20 | 110.6° | 120.0° |
| C24 | C23 | C25 | S1 | 99.9° | 180.0° |
| C24 | C23 | N2 | H1 | 34.1° | 95.0° |
| C24 | C23 | C25 | H21 | 21.1° | 59.9° |
| C24 | C23 | C25 | H22 | 139.0° | 60.0° |
| C23 | C24 | O3 | H30 | 179.2° | 180.0° |
| C13 | N1 | C22 | N2 | 2.2° | 179.7° |
| C13 | N1 | C22 | C14 | 173.7° | 179.6° |
| C13 | N1 | C22 | O2 | 167.7° | 0.4° |
| C13 | N1 | C14 | C15 | 112.0° | 106.2° |
| C13 | N1 | C14 | H11 | 128.3° | 13.7° |
| C13 | N1 | C14 | H12 | 7.8° | 133.8° |
| C23 | N2 | C22 | H1 | 180.0° | 180.0° |
| N2 | C23 | C25 | H20 | 120.4° | 120.0° |
| C23 | N2 | C22 | N1 | 169.4° | 180.0° |
| C23 | N2 | C22 | O2 | 3.8° | 0.0° |
| N2 | C23 | C25 | S1 | 29.1° | 60.1° |
| N2 | C23 | C25 | H21 | 150.1° | 60.0° |
| N2 | C23 | C25 | H22 | 92.0° | 180.0° |
| C22 | N2 | C23 | C25 | 86.7° | 155.0° |
| N2 | C22 | N1 | O2 | 165.6° | 179.9° |
| N2 | C22 | N1 | C14 | 171.6° | 0.1° |
| C22 | N2 | C23 | H20 | 33.4° | 35.0° |
| C23 | C25 | S1 | H21 | 121.0° | 120.1° |
| C23 | C25 | S1 | H22 | 121.0° | 119.9° |
| C23 | C25 | S1 | C26 | 98.7° | 180.0° |
| C25 | C23 | N2 | H1 | 93.3° | 25.0° |
| C23 | C25 | H21 | H22 | 116.7° | 119.9° |
| C22 | N1 | C14 | C15 | 74.7° | 74.2° |
| N1 | C22 | N2 | H1 | 10.6° | 0.0° |
| C22 | N1 | C14 | H11 | 45.0° | 165.9° |
| C22 | N1 | C14 | H12 | 165.5° | 45.9° |
| C14 | N1 | C22 | O2 | 6.0° | 180.0° |
| N1 | C14 | C15 | H11 | 119.7° | 120.0° |
| N1 | C14 | C15 | H12 | 119.7° | 120.0° |
| N1 | C14 | C15 | C16 | 49.5° | 2.7° |
| N1 | C14 | C15 | C21 | 129.9° | 177.1° |
| N1 | C14 | H11 | H12 | 120.8° | 120.0° |
| O2 | C22 | N2 | H1 | 176.1° | 180.0° |
| C14 | C15 | C16 | C21 | 179.4° | 179.8° |
| C14 | C15 | C16 | C17 | 179.7° | 179.9° |
| C14 | C15 | C21 | C20 | 179.8° | 179.8° |
| C15 | C14 | H11 | H12 | 120.8° | 120.0° |
| C14 | C15 | C16 | H13 | 0.3° | 0.1° |
| C14 | C15 | C21 | H19 | 0.2° | 0.1° |
| C25 | S1 | C26 | C27 | 140.3° | 180.0° |
| S1 | C25 | C23 | H20 | 149.5° | 60.0° |
| S1 | C25 | H21 | H22 | 116.7° | 120.0° |
| C25 | S1 | C26 | H23 | 19.2° | 60.0° |
| C25 | S1 | C26 | H24 | 98.5° | 59.9° |
| S1 | C26 | C27 | H23 | 121.1° | 119.9° |
| S1 | C26 | C27 | H24 | 121.1° | 120.1° |
| S1 | C26 | C27 | C28 | 42.7° | 90.0° |
| S1 | C26 | C27 | C32 | 138.1° | 90.3° |
| C26 | S1 | C25 | H21 | 140.3° | 60.0° |
| C26 | S1 | C25 | H22 | 22.4° | 60.1° |
| S1 | C26 | H23 | H24 | 116.5° | 120.0° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C16 | C15 | C21 | C20 | 0.4° | 0.4° |
| C15 | C16 | C17 | C18 | 0.8° | 0.1° |
| C16 | C15 | C14 | H11 | 169.2° | 122.7° |
| C16 | C15 | C14 | H12 | 70.3° | 117.3° |
| C15 | C16 | C17 | H14 | 179.2° | 180.0° |
| C16 | C15 | C21 | H19 | 179.6° | 179.7° |
| C21 | C15 | C16 | C17 | 0.9° | 0.2° |
| C15 | C21 | C20 | H19 | 180.0° | 179.9° |
| C15 | C21 | C20 | C18 | 0.2° | 0.3° |
| C21 | C15 | C14 | H11 | 10.2° | 57.1° |
| C21 | C15 | C14 | H12 | 110.4° | 62.9° |
| C21 | C15 | C16 | H13 | 179.1° | 179.8° |
| C15 | C21 | C20 | H18 | 179.7° | 179.8° |
| C16 | C17 | C18 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | C20 | 0.2° | 0.0° |
| C16 | C17 | C18 | C19 | 179.8° | 180.0° |
| C26 | C27 | C28 | C32 | 179.2° | 179.7° |
| C26 | C27 | C28 | C29 | 179.8° | 180.0° |
| C26 | C27 | C32 | C31 | 180.0° | 179.7° |
| C27 | C26 | H23 | H24 | 116.5° | 120.1° |
| C26 | C27 | C28 | H25 | 0.2° | 0.0° |
| C26 | C27 | C32 | H29 | 0.0° | 0.0° |
| C21 | C20 | C18 | C17 | 0.3° | 0.2° |
| C21 | C20 | C18 | H18 | 180.0° | 179.9° |
| C21 | C20 | C18 | C19 | 179.7° | 179.9° |
| C17 | C18 | C20 | C19 | 180.0° | 180.0° |
| C18 | C17 | C16 | H13 | 179.2° | 179.9° |
| C17 | C18 | C19 | H15 | 90.0° | 90.1° |
| C17 | C18 | C19 | H16 | 150.0° | 149.9° |
| C17 | C18 | C19 | H17 | 30.0° | 29.9° |
| C17 | C18 | C20 | H18 | 179.6° | 180.0° |
| C27 | C28 | C29 | H25 | 180.0° | 180.0° |
| C28 | C27 | C32 | C31 | 0.8° | 0.5° |
| C27 | C28 | C29 | C30 | 0.9° | 0.0° |
| C28 | C27 | C26 | H23 | 78.5° | 150.1° |
| C28 | C27 | C26 | H24 | 163.8° | 30.0° |
| C27 | C28 | C29 | H26 | 179.1° | 180.0° |
| C28 | C27 | C32 | H29 | 179.2° | 179.7° |
| C32 | C27 | C28 | C29 | 1.0° | 0.2° |
| C27 | C32 | C31 | H29 | 180.0° | 179.7° |
| C27 | C32 | C31 | C30 | 0.6° | 0.5° |
| C32 | C27 | C26 | H23 | 100.8° | 29.7° |
| C32 | C27 | C26 | H24 | 17.0° | 149.7° |
| C32 | C27 | C28 | H25 | 179.0° | 179.7° |
| C27 | C32 | C31 | H28 | 179.4° | 179.8° |
| C28 | C29 | C30 | H26 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C28 | C29 | C30 | H27 | 179.3° | 180.0° |
| C32 | C31 | C30 | C29 | 0.5° | 0.2° |
| C32 | C31 | C30 | H28 | 180.0° | 179.7° |
| C32 | C31 | C30 | H27 | 179.5° | 179.8° |
| C20 | C18 | C17 | H14 | 179.8° | 179.9° |
| C20 | C18 | C19 | H15 | 90.0° | 90.0° |
| C20 | C18 | C19 | H16 | 30.0° | 30.0° |
| C20 | C18 | C19 | H17 | 150.0° | 150.0° |
| C18 | C20 | C21 | H19 | 179.8° | 179.8° |
| C19 | C18 | C17 | H14 | 0.2° | 0.1° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C19 | C18 | C20 | H18 | 0.3° | 0.0° |
| C29 | C30 | C31 | H27 | 180.0° | 180.0° |
| C30 | C29 | C28 | H25 | 179.1° | 180.0° |
| C29 | C30 | C31 | H28 | 179.5° | 180.0° |
| C31 | C30 | C29 | H26 | 179.3° | 180.0° |
| C30 | C31 | C32 | H29 | 179.4° | 179.7° |
| H1 | N2 | C23 | H20 | 146.6° | 145.0° |
| H2 | C1 | C2 | H3 | 0.4° | 0.0° |
| H3 | C2 | C3 | H4 | 0.5° | 0.0° |
| H4 | C3 | C4 | H5 | 0.4° | 0.0° |
| H5 | C4 | C5 | H6 | 1.5° | 0.0° |
| H7 | C8 | C9 | H8 | 2.8° | 0.0° |
| H9 | C11 | C12 | H10 | 4.3° | 0.0° |
| H13 | C16 | C17 | H14 | 0.8° | 0.0° |
| H15 | C19 | H16 | H17 | 120.0° | 120.0° |
| H18 | C20 | C21 | H19 | 0.3° | 0.1° |
| H20 | C23 | C25 | H21 | 89.5° | 180.0° |
| H20 | C23 | C25 | H22 | 28.4° | 60.0° |
| H25 | C28 | C29 | H26 | 0.9° | 0.0° |
| H26 | C29 | C30 | H27 | 0.7° | 0.0° |
| H27 | C30 | C31 | H28 | 0.5° | 0.1° |
| H28 | C31 | C32 | H29 | 0.6° | 0.0° |
