TTU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.49Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.30Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.28Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.50Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.50Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.29Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.52Å | |
| O1 | C10 | doub | 1.22Å | 1.14Å | |
| C10 | N1 | sing | 1.35Å | 1.42Å | |
| N1 | C8 | sing | 1.47Å | 1.42Å | |
| N1 | C9 | sing | 1.47Å | 1.41Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C18 | sing | 1.53Å | 1.53Å | |
| C8 | C17 | sing | 1.53Å | 1.53Å | |
| C7 | C5 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.47Å | |
| C5 | C4 | doub | 1.39Å | 1.53Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.32Å | Aromatic |
| C9 | C6 | sing | 1.51Å | 1.52Å | |
| C9 | C19 | sing | 1.51Å | 1.49Å | |
| C6 | C1 | doub | 1.39Å | 1.51Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.50Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.28Å | Aromatic |
| C19 | C24 | doub | 1.38Å | 1.51Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.29Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.33Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.51Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.53Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.29Å | Aromatic |
| C22 | O3 | sing | 1.36Å | 1.44Å | |
| O3 | C25 | sing | 1.43Å | 1.44Å | |
| C28 | C25 | sing | 1.55Å | 1.39Å | |
| C28 | C27 | sing | 1.54Å | 1.51Å | |
| C25 | C26 | sing | 1.55Å | 1.52Å | |
| C27 | N2 | sing | 1.48Å | 1.39Å | |
| C26 | N2 | sing | 1.49Å | 1.36Å | |
| N2 | C29 | sing | 1.47Å | 1.16Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 118.0° | 120.1° |
| C15 | C14 | C13 | 120.3° | 120.3° |
| C14 | C15 | H5 | 121.0° | 120.0° |
| C15 | C14 | H17 | 119.8° | 119.8° |
| C15 | C16 | C11 | 120.8° | 119.9° |
| C16 | C15 | H5 | 121.0° | 119.9° |
| C15 | C16 | H18 | 119.6° | 120.0° |
| C14 | C13 | C12 | 122.5° | 120.1° |
| C14 | C13 | H4 | 118.7° | 119.9° |
| C13 | C14 | H17 | 119.9° | 119.9° |
| C13 | C12 | C11 | 116.9° | 119.8° |
| C12 | C13 | H4 | 118.8° | 120.0° |
| C13 | C12 | H16 | 121.6° | 120.0° |
| C16 | C11 | C12 | 121.3° | 119.7° |
| C16 | C11 | C10 | 110.1° | 120.2° |
| C11 | C16 | H18 | 119.6° | 120.1° |
| C12 | C11 | C10 | 128.2° | 120.1° |
| C11 | C12 | H16 | 121.5° | 120.1° |
| C11 | C10 | O1 | 117.1° | 119.9° |
| C11 | C10 | N1 | 121.0° | 120.0° |
| O1 | C10 | N1 | 121.0° | 120.0° |
| C10 | N1 | C8 | 119.3° | 121.7° |
| C10 | N1 | C9 | 118.4° | 121.7° |
| C8 | N1 | C9 | 122.2° | 116.7° |
| N1 | C8 | C7 | 118.3° | 113.6° |
| N1 | C8 | C18 | 128.8° | 118.0° |
| N1 | C8 | C17 | 111.6° | 117.9° |
| N1 | C9 | C6 | 109.6° | 110.4° |
| N1 | C9 | C19 | 115.0° | 109.3° |
| N1 | C9 | H31 | 107.4° | 109.3° |
| C7 | C8 | C18 | 112.9° | 118.6° |
| C7 | C8 | C17 | 98.6° | 118.5° |
| C8 | C7 | C5 | 111.4° | 110.1° |
| C8 | C7 | H2 | 109.0° | 109.4° |
| C8 | C7 | H3 | 109.0° | 109.3° |
| C18 | C8 | C17 | 57.5° | 60.2° |
| C8 | C18 | C17 | 61.1° | 59.9° |
| C8 | C18 | H19 | 119.8° | 117.5° |
| C8 | C18 | H20 | 119.8° | 117.5° |
| C8 | C17 | C18 | 61.3° | 59.9° |
| C8 | C17 | H6 | 119.8° | 117.5° |
| C8 | C17 | H7 | 119.8° | 117.5° |
| C7 | C5 | C4 | 116.6° | 117.0° |
| C7 | C5 | C6 | 123.0° | 123.2° |
| C5 | C7 | H2 | 109.0° | 109.3° |
| C5 | C7 | H3 | 109.0° | 109.4° |
| C18 | C17 | H6 | 119.8° | 117.5° |
| C18 | C17 | H7 | 119.8° | 117.6° |
| C17 | C18 | H19 | 119.8° | 117.5° |
| C17 | C18 | H20 | 119.8° | 117.5° |
| C4 | C5 | C6 | 120.4° | 119.7° |
| C5 | C4 | C3 | 119.8° | 120.6° |
| C5 | C4 | H1 | 120.1° | 119.7° |
| C5 | C6 | C9 | 125.3° | 123.4° |
| C5 | C6 | C1 | 118.3° | 119.6° |
| C4 | C3 | O2 | 120.8° | 120.2° |
| C4 | C3 | C2 | 118.7° | 119.5° |
| C3 | C4 | H1 | 120.1° | 119.6° |
| C6 | C9 | C19 | 111.6° | 109.3° |
| C9 | C6 | C1 | 116.5° | 116.9° |
| C6 | C9 | H31 | 106.2° | 109.3° |
| C9 | C19 | C24 | 124.0° | 119.9° |
| C9 | C19 | C20 | 115.7° | 119.9° |
| C19 | C9 | H31 | 106.5° | 109.2° |
| C6 | C1 | C2 | 120.9° | 120.8° |
| C6 | C1 | H15 | 119.6° | 119.6° |
| O2 | C3 | C2 | 120.5° | 120.3° |
| C3 | O2 | H33 | 109.5° | 114.0° |
| C3 | C2 | C1 | 122.0° | 119.7° |
| C3 | C2 | H21 | 119.0° | 120.2° |
| C2 | C1 | H15 | 119.5° | 119.6° |
| C1 | C2 | H21 | 119.0° | 120.1° |
| C24 | C19 | C20 | 120.3° | 120.2° |
| C19 | C24 | C23 | 119.7° | 120.0° |
| C19 | C24 | H10 | 120.1° | 120.0° |
| C19 | C20 | C21 | 120.1° | 120.1° |
| C19 | C20 | H8 | 119.9° | 120.0° |
| C24 | C23 | C22 | 119.5° | 119.9° |
| C23 | C24 | H10 | 120.2° | 119.9° |
| C24 | C23 | H22 | 120.2° | 120.1° |
| C20 | C21 | C22 | 121.7° | 119.9° |
| C21 | C20 | H8 | 120.0° | 119.9° |
| C20 | C21 | H9 | 119.1° | 120.0° |
| C23 | C22 | C21 | 118.7° | 119.9° |
| C23 | C22 | O3 | 124.2° | 120.1° |
| C22 | C23 | H22 | 120.2° | 120.0° |
| C21 | C22 | O3 | 117.1° | 120.1° |
| C22 | C21 | H9 | 119.2° | 120.0° |
| C22 | O3 | C25 | 117.0° | 117.0° |
| O3 | C25 | C28 | 106.0° | 110.7° |
| O3 | C25 | C26 | 110.8° | 110.8° |
| O3 | C25 | H23 | 111.8° | 110.8° |
| C25 | C28 | C27 | 96.8° | 105.1° |
| C28 | C25 | C26 | 104.5° | 102.9° |
| C25 | C28 | H13 | 112.6° | 110.4° |
| C25 | C28 | H14 | 112.5° | 110.3° |
| C28 | C25 | H23 | 112.7° | 110.6° |
| C28 | C27 | N2 | 104.6° | 107.0° |
| C27 | C28 | H13 | 112.5° | 110.3° |
| C27 | C28 | H14 | 112.5° | 110.3° |
| C28 | C27 | H24 | 110.7° | 109.9° |
| C28 | C27 | H25 | 110.7° | 109.9° |
| C25 | C26 | N2 | 104.4° | 103.2° |
| C25 | C26 | H11 | 110.7° | 110.7° |
| C25 | C26 | H12 | 110.7° | 110.8° |
| C26 | C25 | H23 | 110.7° | 110.8° |
| C27 | N2 | C26 | 108.0° | 105.8° |
| C27 | N2 | C29 | 105.6° | 111.0° |
| N2 | C27 | H24 | 110.7° | 109.9° |
| N2 | C27 | H25 | 110.7° | 109.9° |
| C26 | N2 | C29 | 104.0° | 110.9° |
| N2 | C26 | H11 | 110.7° | 110.7° |
| N2 | C26 | H12 | 110.7° | 110.6° |
| N2 | C29 | C30 | 118.8° | 109.4° |
| N2 | C29 | H26 | 107.1° | 109.5° |
| N2 | C29 | H27 | 107.1° | 109.5° |
| C30 | C29 | H26 | 107.1° | 109.4° |
| C30 | C29 | H27 | 107.1° | 109.4° |
| C29 | C30 | H28 | 109.5° | 109.5° |
| C29 | C30 | H29 | 109.4° | 109.5° |
| C29 | C30 | H30 | 109.4° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.3° |
| H6 | C17 | H7 | 109.5° | 115.5° |
| H11 | C26 | H12 | 109.5° | 110.6° |
| H13 | C28 | H14 | 109.5° | 110.4° |
| H19 | C18 | H20 | 109.5° | 115.6° |
| H24 | C27 | H25 | 109.5° | 110.1° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.4° |
| H28 | C30 | H30 | 109.4° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | H17 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.2° | 0.0° |
| C14 | C15 | C16 | C11 | 0.6° | 0.3° |
| C15 | C14 | C13 | H4 | 178.8° | 179.7° |
| C14 | C15 | C16 | H18 | 179.4° | 179.9° |
| C16 | C15 | C14 | C13 | 1.1° | 0.0° |
| C15 | C16 | C11 | H18 | 180.0° | 179.6° |
| C15 | C16 | C11 | C12 | 2.4° | 0.6° |
| C15 | C16 | C11 | C10 | 175.8° | 180.0° |
| C16 | C15 | C14 | H17 | 178.9° | 179.9° |
| C14 | C13 | C12 | H4 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 4.0° | 0.3° |
| C13 | C14 | C15 | H5 | 178.9° | 180.0° |
| C14 | C13 | C12 | H16 | 176.0° | 179.8° |
| C13 | C12 | C11 | C16 | 4.4° | 0.6° |
| C13 | C12 | C11 | H16 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 176.6° | 180.0° |
| C12 | C13 | C14 | H17 | 178.8° | 179.9° |
| C16 | C11 | C12 | C10 | 172.2° | 179.4° |
| C16 | C11 | C10 | O1 | 106.7° | 47.1° |
| C16 | C11 | C10 | N1 | 62.4° | 132.9° |
| C11 | C16 | C15 | H5 | 179.4° | 179.7° |
| C16 | C11 | C12 | H16 | 175.5° | 179.5° |
| C12 | C11 | C10 | O1 | 66.2° | 133.5° |
| C12 | C11 | C10 | N1 | 124.8° | 46.5° |
| C11 | C12 | C13 | H4 | 176.0° | 180.0° |
| C12 | C11 | C16 | H18 | 177.6° | 179.8° |
| C11 | C10 | O1 | N1 | 169.1° | 180.0° |
| C11 | C10 | N1 | C8 | 10.5° | 176.3° |
| C11 | C10 | N1 | C9 | 172.1° | 3.4° |
| C10 | C11 | C12 | H16 | 3.4° | 0.1° |
| C10 | C11 | C16 | H18 | 4.2° | 0.4° |
| O1 | C10 | N1 | C8 | 179.1° | 3.7° |
| O1 | C10 | N1 | C9 | 3.5° | 176.6° |
| C10 | N1 | C8 | C9 | 177.3° | 179.7° |
| C10 | N1 | C8 | C7 | 143.9° | 122.2° |
| C10 | N1 | C8 | C18 | 37.8° | 23.3° |
| C10 | N1 | C8 | C17 | 102.8° | 92.5° |
| C10 | N1 | C9 | C6 | 147.4° | 138.1° |
| C10 | N1 | C9 | C19 | 85.9° | 101.6° |
| C10 | N1 | C9 | H31 | 32.5° | 17.9° |
| N1 | C8 | C7 | C18 | 178.6° | 145.3° |
| N1 | C8 | C7 | C17 | 120.3° | 145.1° |
| N1 | C8 | C18 | C17 | 92.8° | 107.9° |
| N1 | C8 | C7 | C5 | 19.4° | 40.8° |
| C8 | N1 | C9 | C6 | 35.3° | 41.5° |
| C8 | N1 | C9 | C19 | 91.4° | 78.7° |
| N1 | C8 | C7 | H2 | 100.9° | 161.0° |
| N1 | C8 | C7 | H3 | 139.7° | 79.3° |
| N1 | C8 | C17 | H6 | 13.3° | 0.5° |
| N1 | C8 | C17 | H7 | 127.1° | 144.5° |
| N1 | C8 | C18 | H19 | 157.5° | 144.7° |
| N1 | C8 | C18 | H20 | 17.0° | 0.4° |
| C8 | N1 | C9 | H31 | 150.2° | 161.8° |
| C9 | N1 | C8 | C7 | 38.8° | 57.5° |
| C9 | N1 | C8 | C18 | 139.5° | 157.0° |
| C9 | N1 | C8 | C17 | 74.5° | 87.8° |
| N1 | C9 | C6 | C5 | 17.6° | 14.9° |
| N1 | C9 | C6 | C19 | 128.6° | 120.3° |
| N1 | C9 | C6 | H31 | 115.7° | 120.3° |
| N1 | C9 | C19 | H31 | 118.9° | 119.5° |
| N1 | C9 | C6 | C1 | 163.6° | 166.1° |
| N1 | C9 | C19 | C24 | 93.1° | 157.9° |
| N1 | C9 | C19 | C20 | 87.5° | 22.6° |
| C7 | C8 | C18 | C17 | 85.6° | 108.4° |
| C8 | C7 | C5 | H2 | 120.3° | 120.2° |
| C8 | C7 | C5 | H3 | 120.3° | 120.1° |
| C8 | C7 | C5 | C4 | 179.8° | 165.1° |
| C8 | C7 | C5 | C6 | 3.3° | 16.0° |
| C8 | C7 | H2 | H3 | 119.1° | 119.6° |
| C7 | C8 | C17 | H6 | 138.4° | 144.1° |
| C7 | C8 | C17 | H7 | 1.9° | 0.9° |
| C7 | C8 | C18 | H19 | 24.2° | 0.9° |
| C7 | C8 | C18 | H20 | 164.6° | 144.2° |
| C18 | C8 | C7 | C5 | 159.1° | 173.9° |
| C8 | C18 | C17 | H19 | 109.8° | 107.5° |
| C8 | C18 | C17 | H20 | 109.8° | 107.5° |
| C18 | C8 | C7 | H2 | 80.6° | 53.7° |
| C18 | C8 | C7 | H3 | 38.8° | 65.9° |
| C18 | C8 | C17 | H6 | 109.8° | 107.5° |
| C18 | C8 | C17 | H7 | 109.8° | 107.5° |
| C8 | C18 | H19 | H20 | 144.1° | 145.8° |
| C17 | C8 | C7 | C5 | 100.8° | 104.2° |
| C17 | C8 | C7 | H2 | 138.9° | 15.9° |
| C17 | C8 | C7 | H3 | 19.5° | 135.6° |
| C8 | C17 | H6 | H7 | 144.0° | 145.7° |
| C7 | C5 | C4 | C6 | 177.1° | 178.9° |
| C7 | C5 | C4 | C3 | 177.8° | 178.0° |
| C7 | C5 | C6 | C9 | 3.1° | 3.6° |
| C7 | C5 | C6 | C1 | 178.1° | 177.5° |
| C7 | C5 | C4 | H1 | 2.2° | 2.0° |
| C5 | C7 | H2 | H3 | 119.1° | 119.7° |
| C18 | C17 | H6 | H7 | 144.0° | 145.8° |
| C17 | C18 | H19 | H20 | 144.1° | 145.7° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C9 | 180.0° | 177.5° |
| C4 | C5 | C6 | C1 | 1.2° | 1.4° |
| C5 | C4 | C3 | O2 | 178.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C7 | H2 | 60.0° | 44.9° |
| C4 | C5 | C7 | H3 | 59.5° | 74.8° |
| C6 | C5 | C4 | C3 | 0.7° | 0.9° |
| C5 | C6 | C9 | C1 | 178.8° | 179.0° |
| C5 | C6 | C9 | C19 | 111.0° | 105.4° |
| C5 | C6 | C1 | C2 | 0.3° | 1.0° |
| C6 | C5 | C4 | H1 | 179.3° | 179.1° |
| C6 | C5 | C7 | H2 | 117.0° | 136.3° |
| C6 | C5 | C7 | H3 | 123.6° | 104.0° |
| C5 | C6 | C1 | H15 | 179.6° | 179.1° |
| C5 | C6 | C9 | H31 | 133.3° | 135.2° |
| C4 | C3 | O2 | C2 | 178.2° | 180.0° |
| C4 | C3 | C2 | C1 | 1.6° | 0.4° |
| C4 | C3 | C2 | H21 | 178.4° | 179.5° |
| C4 | C3 | O2 | H33 | 180.0° | 90.0° |
| C6 | C9 | C19 | H31 | 115.5° | 119.5° |
| C9 | C6 | C1 | C2 | 179.2° | 178.0° |
| C6 | C9 | C19 | C24 | 141.3° | 37.0° |
| C6 | C9 | C19 | C20 | 38.1° | 143.5° |
| C9 | C6 | C1 | H15 | 0.7° | 1.9° |
| C19 | C9 | C6 | C1 | 67.8° | 73.6° |
| C9 | C19 | C24 | C20 | 179.4° | 179.5° |
| C9 | C19 | C24 | C23 | 178.3° | 180.0° |
| C9 | C19 | C20 | C21 | 179.4° | 179.5° |
| C9 | C19 | C20 | H8 | 0.5° | 0.3° |
| C9 | C19 | C24 | H10 | 1.8° | 0.7° |
| C6 | C1 | C2 | C3 | 1.1° | 0.1° |
| C6 | C1 | C2 | H15 | 180.0° | 179.9° |
| C6 | C1 | C2 | H21 | 178.9° | 180.0° |
| C1 | C6 | C9 | H31 | 47.9° | 45.8° |
| O2 | C3 | C2 | C1 | 179.9° | 179.6° |
| O2 | C3 | C4 | H1 | 1.1° | 0.0° |
| O2 | C3 | C2 | H21 | 0.1° | 0.5° |
| C3 | C2 | C1 | H21 | 180.0° | 179.9° |
| C2 | C3 | C4 | H1 | 179.3° | 180.0° |
| C3 | C2 | C1 | H15 | 178.9° | 180.0° |
| C2 | C3 | O2 | H33 | 1.8° | 90.0° |
| C19 | C24 | C23 | H10 | 180.0° | 179.3° |
| C24 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C24 | C23 | C22 | 1.9° | 0.7° |
| C24 | C19 | C20 | H8 | 180.0° | 179.7° |
| C19 | C24 | C23 | H22 | 178.1° | 180.0° |
| C24 | C19 | C9 | H31 | 25.8° | 82.5° |
| C20 | C19 | C24 | C23 | 1.1° | 0.5° |
| C19 | C20 | C21 | H8 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | H9 | 179.8° | 179.8° |
| C20 | C19 | C24 | H10 | 178.9° | 179.8° |
| C20 | C19 | C9 | H31 | 153.6° | 96.9° |
| C24 | C23 | C22 | H22 | 180.0° | 179.3° |
| C24 | C23 | C22 | C21 | 1.7° | 0.5° |
| C24 | C23 | C22 | O3 | 177.3° | 179.5° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C21 | C22 | H9 | 180.0° | 179.9° |
| C20 | C21 | C22 | O3 | 178.5° | 180.0° |
| C23 | C22 | C21 | O3 | 179.1° | 179.9° |
| C23 | C22 | O3 | C25 | 29.2° | 0.9° |
| C23 | C22 | C21 | H9 | 179.4° | 180.0° |
| C22 | C23 | C24 | H10 | 178.0° | 180.0° |
| C21 | C22 | O3 | C25 | 151.7° | 179.0° |
| C22 | C21 | C20 | H8 | 179.8° | 180.0° |
| C21 | C22 | C23 | H22 | 178.3° | 179.7° |
| C22 | O3 | C25 | C28 | 46.4° | 84.6° |
| C22 | O3 | C25 | C26 | 159.2° | 161.9° |
| O3 | C22 | C21 | H9 | 1.5° | 0.1° |
| O3 | C22 | C23 | H22 | 2.7° | 0.2° |
| C22 | O3 | C25 | H23 | 76.9° | 38.6° |
| O3 | C25 | C28 | C26 | 117.1° | 118.4° |
| O3 | C25 | C28 | H23 | 122.6° | 123.2° |
| O3 | C25 | C28 | C27 | 75.0° | 140.3° |
| O3 | C25 | C26 | H23 | 124.6° | 123.3° |
| O3 | C25 | C26 | N2 | 85.8° | 155.8° |
| O3 | C25 | C26 | H11 | 33.4° | 37.4° |
| O3 | C25 | C26 | H12 | 155.0° | 85.7° |
| O3 | C25 | C28 | H13 | 167.1° | 100.7° |
| O3 | C25 | C28 | H14 | 42.8° | 21.5° |
| C25 | C28 | C27 | H13 | 117.9° | 119.0° |
| C25 | C28 | C27 | H14 | 117.9° | 118.8° |
| C28 | C25 | C26 | H23 | 121.6° | 118.3° |
| C25 | C28 | C27 | N2 | 44.5° | 1.3° |
| C28 | C25 | C26 | N2 | 28.0° | 37.4° |
| C28 | C25 | C26 | H11 | 147.1° | 81.0° |
| C28 | C25 | C26 | H12 | 91.2° | 155.9° |
| C25 | C28 | H13 | H14 | 126.0° | 122.2° |
| C25 | C28 | C27 | H24 | 163.8° | 120.6° |
| C25 | C28 | C27 | H25 | 74.7° | 118.1° |
| C27 | C28 | C25 | C26 | 42.1° | 21.9° |
| C28 | C27 | N2 | H24 | 119.2° | 119.3° |
| C28 | C27 | N2 | H25 | 119.3° | 119.4° |
| C28 | C27 | N2 | C26 | 28.7° | 25.4° |
| C28 | C27 | N2 | C29 | 139.5° | 145.8° |
| C27 | C28 | H13 | H14 | 125.9° | 122.1° |
| C27 | C28 | C25 | H23 | 162.3° | 96.5° |
| C28 | C27 | H24 | H25 | 122.3° | 121.2° |
| C25 | C26 | N2 | C27 | 2.0° | 39.3° |
| C25 | C26 | N2 | H11 | 119.2° | 118.4° |
| C25 | C26 | N2 | H12 | 119.2° | 118.6° |
| C25 | C26 | N2 | C29 | 113.9° | 159.7° |
| C25 | C26 | H11 | H12 | 122.3° | 123.2° |
| C26 | C25 | C28 | H13 | 75.8° | 140.8° |
| C26 | C25 | C28 | H14 | 159.9° | 96.9° |
| C27 | N2 | C26 | C29 | 111.9° | 120.5° |
| C27 | N2 | C29 | C30 | 56.3° | 72.6° |
| C27 | N2 | C26 | H11 | 117.2° | 79.2° |
| C27 | N2 | C26 | H12 | 121.2° | 157.8° |
| N2 | C27 | C28 | H13 | 73.3° | 117.7° |
| N2 | C27 | C28 | H14 | 162.4° | 120.1° |
| N2 | C27 | H24 | H25 | 122.2° | 121.2° |
| C27 | N2 | C29 | H26 | 65.1° | 167.4° |
| C27 | N2 | C29 | H27 | 177.6° | 47.3° |
| C26 | N2 | C29 | C30 | 169.9° | 170.0° |
| N2 | C26 | H11 | H12 | 122.3° | 123.0° |
| N2 | C26 | C25 | H23 | 149.6° | 80.9° |
| C26 | N2 | C27 | H24 | 147.9° | 144.7° |
| C26 | N2 | C27 | H25 | 90.5° | 94.0° |
| C26 | N2 | C29 | H26 | 48.5° | 50.0° |
| C26 | N2 | C29 | H27 | 68.8° | 70.0° |
| N2 | C29 | C30 | H26 | 121.3° | 120.0° |
| N2 | C29 | C30 | H27 | 121.3° | 120.0° |
| C29 | N2 | C26 | H11 | 5.3° | 41.3° |
| C29 | N2 | C26 | H12 | 126.9° | 81.7° |
| C29 | N2 | C27 | H24 | 101.2° | 94.9° |
| C29 | N2 | C27 | H25 | 20.3° | 26.4° |
| N2 | C29 | H26 | H27 | 115.8° | 120.1° |
| N2 | C29 | C30 | H28 | 180.0° | 60.0° |
| N2 | C29 | C30 | H29 | 60.0° | 60.0° |
| N2 | C29 | C30 | H30 | 60.0° | 180.0° |
| C30 | C29 | H26 | H27 | 115.8° | 119.9° |
| C29 | C30 | H28 | H29 | 120.0° | 120.0° |
| C29 | C30 | H28 | H30 | 120.0° | 120.1° |
| C29 | C30 | H29 | H30 | 120.0° | 120.0° |
| H4 | C13 | C12 | H16 | 4.0° | 0.1° |
| H4 | C13 | C14 | H17 | 1.2° | 0.2° |
| H5 | C15 | C14 | H17 | 1.1° | 0.0° |
| H5 | C15 | C16 | H18 | 0.6° | 0.1° |
| H6 | C17 | C18 | H19 | 140.4° | 145.1° |
| H6 | C17 | C18 | H20 | 0.1° | 0.0° |
| H7 | C17 | C18 | H19 | 0.0° | 0.0° |
| H7 | C17 | C18 | H20 | 140.4° | 145.0° |
| H8 | C20 | C21 | H9 | 0.2° | 0.1° |
| H10 | C24 | C23 | H22 | 1.9° | 0.7° |
| H11 | C26 | C25 | H23 | 91.2° | 160.7° |
| H12 | C26 | C25 | H23 | 30.4° | 37.6° |
| H13 | C28 | C25 | H23 | 44.5° | 22.5° |
| H13 | C28 | C27 | H24 | 45.9° | 1.6° |
| H13 | C28 | C27 | H25 | 167.4° | 123.0° |
| H14 | C28 | C25 | H23 | 79.8° | 144.7° |
| H14 | C28 | C27 | H24 | 78.3° | 120.5° |
| H14 | C28 | C27 | H25 | 43.2° | 0.8° |
| H15 | C1 | C2 | H21 | 1.1° | 0.1° |
| H26 | C29 | C30 | H28 | 58.6° | 60.1° |
| H26 | C29 | C30 | H29 | 178.7° | 180.0° |
| H26 | C29 | C30 | H30 | 61.3° | 60.0° |
| H27 | C29 | C30 | H28 | 58.7° | 180.0° |
| H27 | C29 | C30 | H29 | 61.3° | 60.1° |
| H27 | C29 | C30 | H30 | 178.7° | 60.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
