CI8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C15 | sing | 1.35Å | 1.35Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| F1 | C14 | sing | 1.35Å | 1.35Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.52Å | 1.51Å | |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C18 | C8 | sing | 1.54Å | 1.55Å | |
| C11 | C8 | sing | 1.54Å | 1.54Å | |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| O4 | C10 | doub | 1.21Å | 1.26Å | |
| C10 | O3 | sing | 1.34Å | 1.25Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| N1 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | N2 | doub | 1.28Å | 1.30Å | Aromatic |
| C5 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
| N2 | C19 | sing | 1.35Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | N3 | sing | 1.47Å | 1.53Å | |
| S1 | C4 | sing | 1.76Å | 1.74Å | Aromatic |
| C27 | O6 | sing | 1.43Å | 1.42Å | |
| C19 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | N3 | sing | 1.47Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | O5 | sing | 1.36Å | 1.37Å | |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O5 | C22 | sing | 1.43Å | 1.44Å | |
| N3 | C25 | sing | 1.47Å | 1.51Å | |
| N3 | C28 | sing | 1.47Å | 1.52Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | O7 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| O6 | H31 | sing | 0.97Å | 0.95Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| O7 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C15 | C16 | 119.5° | 120.1° |
| F2 | C15 | C14 | 119.9° | 120.1° |
| C16 | C15 | C14 | 120.6° | 119.8° |
| C15 | C16 | C17 | 118.4° | 120.2° |
| C15 | C16 | H14 | 120.8° | 119.9° |
| C15 | C14 | F1 | 118.7° | 120.0° |
| C15 | C14 | C13 | 121.4° | 119.9° |
| F1 | C14 | C13 | 119.9° | 120.1° |
| C16 | C17 | C12 | 121.3° | 119.9° |
| C16 | C17 | C18 | 129.7° | 130.3° |
| C17 | C16 | H14 | 120.8° | 119.9° |
| C14 | C13 | C12 | 118.2° | 120.2° |
| C14 | C13 | H13 | 120.9° | 119.9° |
| C12 | C17 | C18 | 109.0° | 109.8° |
| C17 | C12 | C13 | 120.1° | 119.9° |
| C17 | C12 | C11 | 108.6° | 109.8° |
| C17 | C18 | C8 | 101.9° | 105.1° |
| C17 | C18 | H15 | 111.3° | 110.3° |
| C17 | C18 | H16 | 111.4° | 110.3° |
| C13 | C12 | C11 | 131.3° | 130.3° |
| C12 | C13 | H13 | 120.9° | 119.9° |
| C12 | C11 | C8 | 101.3° | 105.2° |
| C12 | C11 | H11 | 111.5° | 110.3° |
| C12 | C11 | H12 | 111.4° | 110.4° |
| C18 | C8 | C11 | 99.3° | 102.6° |
| C18 | C8 | C7 | 113.9° | 110.9° |
| C18 | C8 | C9 | 109.7° | 110.8° |
| C8 | C18 | H15 | 111.3° | 110.3° |
| C8 | C18 | H16 | 111.4° | 110.4° |
| C11 | C8 | C7 | 103.8° | 110.8° |
| C11 | C8 | C9 | 117.3° | 110.8° |
| C8 | C11 | H11 | 111.5° | 110.3° |
| C8 | C11 | H12 | 111.5° | 110.2° |
| O2 | C7 | C8 | 119.7° | 120.0° |
| O2 | C7 | N1 | 123.7° | 120.0° |
| C7 | C8 | C9 | 112.3° | 110.7° |
| C8 | C7 | N1 | 116.5° | 120.0° |
| C8 | C9 | C10 | 116.7° | 109.5° |
| C8 | C9 | H8 | 107.6° | 109.5° |
| C8 | C9 | H9 | 107.6° | 109.5° |
| C7 | N1 | C6 | 122.1° | 120.0° |
| C7 | N1 | H7 | 119.0° | 120.0° |
| O4 | C10 | O3 | 125.0° | 120.0° |
| O4 | C10 | C9 | 117.8° | 120.0° |
| O3 | C10 | C9 | 117.3° | 120.0° |
| C10 | O3 | H10 | 109.5° | 117.0° |
| C10 | C9 | H8 | 107.7° | 109.5° |
| C10 | C9 | H9 | 107.6° | 109.4° |
| N1 | C6 | C5 | 112.9° | 109.5° |
| N1 | C6 | H5 | 108.6° | 109.5° |
| N1 | C6 | H6 | 108.6° | 109.4° |
| C6 | N1 | H7 | 118.9° | 120.0° |
| C6 | C5 | N2 | 124.9° | 124.2° |
| C6 | C5 | S1 | 118.8° | 124.3° |
| C5 | C6 | H5 | 108.6° | 109.4° |
| C5 | C6 | H6 | 108.6° | 109.5° |
| N2 | C5 | S1 | 116.2° | 111.5° |
| C5 | N2 | C19 | 110.5° | 117.8° |
| C5 | S1 | C4 | 88.9° | 90.8° |
| N2 | C19 | C4 | 114.5° | 111.8° |
| N2 | C19 | C20 | 126.3° | 129.5° |
| C27 | C26 | N3 | 117.5° | 109.5° |
| C26 | C27 | O6 | 110.0° | 109.5° |
| C27 | C26 | H27 | 107.4° | 109.5° |
| C27 | C26 | H28 | 107.4° | 109.5° |
| C26 | C27 | H29 | 109.3° | 109.5° |
| C26 | C27 | H30 | 109.3° | 109.4° |
| C26 | N3 | C24 | 106.9° | 109.5° |
| C26 | N3 | C25 | 109.5° | 109.5° |
| C26 | N3 | C28 | 112.6° | 109.5° |
| N3 | C26 | H27 | 107.4° | 109.4° |
| N3 | C26 | H28 | 107.4° | 109.5° |
| S1 | C4 | C19 | 109.7° | 108.0° |
| S1 | C4 | C3 | 128.5° | 131.5° |
| O6 | C27 | H29 | 109.3° | 109.5° |
| O6 | C27 | H30 | 109.3° | 109.5° |
| C27 | O6 | H31 | 109.5° | 113.9° |
| C4 | C19 | C20 | 119.1° | 118.7° |
| C19 | C4 | C3 | 121.8° | 120.5° |
| C19 | C20 | C21 | 119.6° | 120.3° |
| C19 | C20 | H17 | 120.2° | 119.9° |
| C4 | C3 | C2 | 118.7° | 120.2° |
| C4 | C3 | H4 | 120.6° | 119.9° |
| C20 | C21 | C2 | 120.2° | 120.5° |
| C20 | C21 | O5 | 124.1° | 119.8° |
| C21 | C20 | H17 | 120.2° | 119.8° |
| C3 | C2 | C21 | 120.5° | 119.9° |
| C3 | C2 | O1 | 123.9° | 120.1° |
| C2 | C3 | H4 | 120.7° | 119.9° |
| N3 | C24 | C23 | 118.1° | 109.5° |
| C24 | N3 | C25 | 108.9° | 109.5° |
| C24 | N3 | C28 | 111.0° | 109.5° |
| N3 | C24 | H22 | 107.3° | 109.5° |
| N3 | C24 | H23 | 107.3° | 109.5° |
| C24 | C23 | C22 | 113.4° | 109.5° |
| C24 | C23 | H20 | 108.5° | 109.4° |
| C24 | C23 | H21 | 108.5° | 109.5° |
| C23 | C24 | H22 | 107.3° | 109.4° |
| C23 | C24 | H23 | 107.3° | 109.5° |
| C2 | C21 | O5 | 115.6° | 119.7° |
| C21 | C2 | O1 | 115.6° | 120.0° |
| C21 | O5 | C22 | 119.5° | 117.0° |
| C2 | O1 | C1 | 118.0° | 117.0° |
| O5 | C22 | C23 | 109.1° | 109.5° |
| O5 | C22 | H18 | 109.5° | 109.5° |
| O5 | C22 | H19 | 109.6° | 109.5° |
| C25 | N3 | C28 | 108.0° | 109.5° |
| N3 | C25 | H24 | 109.5° | 109.5° |
| N3 | C25 | H25 | 109.5° | 109.5° |
| N3 | C25 | H26 | 109.5° | 109.5° |
| N3 | C28 | C29 | 116.6° | 109.5° |
| N3 | C28 | H32 | 107.7° | 109.5° |
| N3 | C28 | H33 | 107.7° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.4° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| C23 | C22 | H18 | 109.6° | 109.5° |
| C23 | C22 | H19 | 109.6° | 109.5° |
| C22 | C23 | H20 | 108.5° | 109.5° |
| C22 | C23 | H21 | 108.5° | 109.5° |
| C28 | C29 | O7 | 109.9° | 109.5° |
| C29 | C28 | H32 | 107.7° | 109.5° |
| C29 | C28 | H33 | 107.6° | 109.5° |
| C28 | C29 | H34 | 109.4° | 109.5° |
| C28 | C29 | H35 | 109.4° | 109.5° |
| O7 | C29 | H34 | 109.4° | 109.5° |
| O7 | C29 | H35 | 109.4° | 109.5° |
| C29 | O7 | H36 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 110.3° |
| H15 | C18 | H16 | 109.5° | 110.3° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.4° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H24 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.4° | 109.4° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H29 | C27 | H30 | 109.5° | 109.4° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C15 | C16 | C14 | 179.8° | 179.9° |
| F2 | C15 | C14 | F1 | 0.9° | 0.1° |
| F2 | C15 | C16 | C17 | 179.9° | 180.0° |
| F2 | C15 | C14 | C13 | 179.8° | 180.0° |
| F2 | C15 | C16 | H14 | 0.1° | 0.0° |
| C16 | C15 | C14 | F1 | 179.3° | 180.0° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C15 | C16 | C17 | C12 | 0.5° | 0.0° |
| C15 | C16 | C17 | C18 | 177.8° | 179.8° |
| C15 | C14 | F1 | C13 | 179.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H13 | 179.9° | 179.9° |
| C14 | C15 | C16 | H14 | 179.9° | 180.0° |
| F1 | C14 | C13 | C12 | 179.0° | 179.9° |
| F1 | C14 | C13 | H13 | 1.0° | 0.0° |
| C16 | C17 | C12 | C18 | 178.6° | 179.8° |
| C16 | C17 | C12 | C13 | 0.8° | 0.1° |
| C16 | C17 | C12 | C11 | 178.9° | 180.0° |
| C16 | C17 | C18 | C8 | 153.6° | 162.9° |
| C16 | C17 | C18 | H15 | 87.6° | 78.3° |
| C16 | C17 | C18 | H16 | 34.8° | 43.9° |
| C14 | C13 | C12 | C17 | 0.5° | 0.1° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 179.1° | 180.0° |
| C17 | C12 | C13 | C11 | 179.7° | 180.0° |
| C12 | C17 | C18 | C8 | 24.9° | 16.9° |
| C17 | C12 | C11 | C8 | 28.8° | 17.2° |
| C17 | C12 | C11 | H11 | 147.5° | 136.1° |
| C17 | C12 | C11 | H12 | 89.8° | 101.7° |
| C17 | C12 | C13 | H13 | 179.5° | 180.0° |
| C12 | C17 | C16 | H14 | 179.5° | 180.0° |
| C12 | C17 | C18 | H15 | 93.9° | 102.0° |
| C12 | C17 | C18 | H16 | 143.6° | 135.9° |
| C18 | C17 | C12 | C13 | 177.8° | 179.9° |
| C18 | C17 | C12 | C11 | 2.5° | 0.2° |
| C17 | C18 | C8 | H15 | 118.7° | 118.9° |
| C17 | C18 | C8 | H16 | 118.8° | 118.9° |
| C17 | C18 | C8 | C11 | 40.7° | 26.1° |
| C17 | C18 | C8 | C7 | 69.0° | 144.5° |
| C17 | C18 | C8 | C9 | 164.2° | 92.2° |
| C18 | C17 | C16 | H14 | 2.2° | 0.2° |
| C17 | C18 | H15 | H16 | 123.5° | 122.2° |
| C13 | C12 | C11 | C8 | 151.5° | 162.9° |
| C13 | C12 | C11 | H11 | 32.8° | 43.9° |
| C13 | C12 | C11 | H12 | 89.9° | 78.3° |
| C12 | C11 | C8 | C18 | 42.0° | 26.2° |
| C12 | C11 | C8 | H11 | 118.7° | 119.0° |
| C12 | C11 | C8 | H12 | 118.7° | 119.0° |
| C12 | C11 | C8 | C7 | 75.6° | 144.6° |
| C12 | C11 | C8 | C9 | 160.0° | 92.1° |
| C12 | C11 | H11 | H12 | 123.8° | 122.2° |
| C11 | C12 | C13 | H13 | 0.8° | 0.1° |
| C18 | C8 | C11 | C7 | 117.6° | 118.4° |
| C18 | C8 | C11 | C9 | 118.0° | 118.3° |
| C18 | C8 | C7 | O2 | 9.0° | 120.7° |
| C18 | C8 | C7 | C9 | 125.4° | 123.4° |
| C18 | C8 | C7 | N1 | 175.5° | 59.2° |
| C18 | C8 | C9 | C10 | 41.0° | 173.5° |
| C18 | C8 | C9 | H8 | 162.0° | 53.5° |
| C18 | C8 | C9 | H9 | 80.0° | 66.6° |
| C18 | C8 | C11 | H11 | 160.7° | 145.2° |
| C18 | C8 | C11 | H12 | 76.7° | 92.8° |
| C8 | C18 | H15 | H16 | 123.5° | 122.2° |
| C11 | C8 | C7 | O2 | 97.9° | 7.5° |
| C11 | C8 | C7 | C9 | 127.6° | 123.4° |
| C11 | C8 | C7 | N1 | 77.6° | 172.4° |
| C11 | C8 | C9 | C10 | 153.2° | 60.3° |
| C11 | C8 | C9 | H8 | 85.7° | 59.7° |
| C11 | C8 | C9 | H9 | 32.2° | 179.7° |
| C8 | C11 | H11 | H12 | 123.8° | 122.0° |
| C11 | C8 | C18 | H15 | 78.0° | 92.8° |
| C11 | C8 | C18 | H16 | 159.5° | 145.0° |
| O2 | C7 | C8 | N1 | 175.5° | 179.9° |
| O2 | C7 | C8 | C9 | 134.4° | 115.9° |
| O2 | C7 | N1 | C6 | 20.4° | 4.9° |
| O2 | C7 | N1 | H7 | 159.6° | 175.0° |
| C7 | C8 | C9 | C10 | 86.7° | 63.1° |
| C8 | C7 | N1 | C6 | 164.2° | 174.9° |
| C8 | C7 | N1 | H7 | 15.8° | 5.1° |
| C7 | C8 | C9 | H8 | 34.4° | 176.9° |
| C7 | C8 | C9 | H9 | 152.3° | 56.9° |
| C7 | C8 | C11 | H11 | 43.1° | 96.4° |
| C7 | C8 | C11 | H12 | 165.8° | 25.6° |
| C7 | C8 | C18 | H15 | 172.3° | 25.6° |
| C7 | C8 | C18 | H16 | 49.8° | 96.6° |
| C9 | C8 | C7 | N1 | 50.0° | 64.2° |
| C8 | C9 | C10 | O4 | 43.1° | 5.8° |
| C8 | C9 | C10 | O3 | 137.7° | 174.1° |
| C8 | C9 | C10 | H8 | 121.1° | 120.0° |
| C8 | C9 | C10 | H9 | 121.0° | 120.0° |
| C8 | C9 | H8 | H9 | 116.7° | 120.1° |
| C9 | C8 | C11 | H11 | 81.3° | 26.9° |
| C9 | C8 | C11 | H12 | 41.3° | 148.9° |
| C9 | C8 | C18 | H15 | 45.5° | 148.9° |
| C9 | C8 | C18 | H16 | 77.0° | 26.7° |
| C7 | N1 | C6 | H7 | 180.0° | 179.9° |
| C7 | N1 | C6 | C5 | 112.7° | 180.0° |
| C7 | N1 | C6 | H5 | 126.8° | 60.0° |
| C7 | N1 | C6 | H6 | 7.8° | 60.1° |
| O4 | C10 | O3 | C9 | 179.1° | 179.9° |
| O4 | C10 | C9 | H8 | 77.9° | 125.8° |
| O4 | C10 | C9 | H9 | 164.2° | 114.2° |
| O4 | C10 | O3 | H10 | 0.0° | 0.0° |
| O3 | C10 | C9 | H8 | 101.2° | 54.1° |
| O3 | C10 | C9 | H9 | 16.7° | 65.8° |
| C10 | C9 | H8 | H9 | 116.7° | 119.9° |
| C9 | C10 | O3 | H10 | 179.1° | 180.0° |
| N1 | C6 | C5 | H5 | 120.5° | 120.0° |
| N1 | C6 | C5 | H6 | 120.5° | 120.0° |
| N1 | C6 | C5 | N2 | 149.4° | 90.0° |
| N1 | C6 | C5 | S1 | 35.2° | 90.0° |
| N1 | C6 | H5 | H6 | 118.5° | 120.0° |
| C6 | C5 | N2 | S1 | 175.5° | 180.0° |
| C6 | C5 | N2 | C19 | 172.2° | 180.0° |
| C6 | C5 | S1 | C4 | 173.3° | 180.0° |
| C5 | C6 | H5 | H6 | 118.4° | 120.0° |
| C5 | C6 | N1 | H7 | 67.3° | 0.0° |
| N2 | C5 | S1 | C4 | 2.4° | 0.1° |
| C5 | N2 | C19 | C4 | 2.7° | 0.1° |
| C5 | N2 | C19 | C20 | 179.0° | 180.0° |
| N2 | C5 | C6 | H5 | 90.1° | 150.0° |
| N2 | C5 | C6 | H6 | 28.9° | 29.9° |
| S1 | C5 | N2 | C19 | 3.3° | 0.1° |
| C5 | S1 | C4 | C19 | 0.7° | 0.0° |
| C5 | S1 | C4 | C3 | 179.9° | 180.0° |
| S1 | C5 | C6 | H5 | 85.3° | 30.0° |
| S1 | C5 | C6 | H6 | 155.7° | 150.0° |
| N2 | C19 | C4 | S1 | 0.9° | 0.0° |
| N2 | C19 | C4 | C20 | 178.5° | 179.9° |
| N2 | C19 | C4 | C3 | 178.5° | 180.0° |
| N2 | C19 | C20 | C21 | 178.6° | 179.9° |
| N2 | C19 | C20 | H17 | 1.3° | 0.1° |
| C27 | C26 | N3 | H27 | 121.2° | 120.0° |
| C27 | C26 | N3 | H28 | 121.1° | 120.1° |
| C26 | C27 | O6 | H29 | 120.1° | 120.1° |
| C26 | C27 | O6 | H30 | 120.1° | 119.9° |
| C27 | C26 | N3 | C24 | 164.7° | 54.0° |
| C27 | C26 | N3 | C25 | 77.6° | 66.0° |
| C27 | C26 | N3 | C28 | 42.6° | 174.0° |
| C27 | C26 | H27 | H28 | 116.3° | 120.0° |
| C26 | C27 | H29 | H30 | 119.7° | 119.9° |
| C26 | C27 | O6 | H31 | 180.0° | 180.0° |
| N3 | C26 | C27 | O6 | 68.6° | 68.4° |
| C26 | N3 | C24 | C25 | 118.2° | 120.0° |
| C26 | N3 | C24 | C28 | 123.1° | 120.0° |
| C26 | N3 | C24 | C23 | 174.8° | 174.0° |
| C26 | N3 | C25 | C28 | 122.9° | 120.0° |
| C26 | N3 | C28 | C29 | 59.6° | 54.4° |
| C26 | N3 | C24 | H22 | 64.0° | 66.1° |
| C26 | N3 | C24 | H23 | 53.5° | 54.0° |
| C26 | N3 | C25 | H24 | 180.0° | 57.1° |
| C26 | N3 | C25 | H25 | 60.0° | 62.8° |
| C26 | N3 | C25 | H26 | 60.0° | 177.2° |
| N3 | C26 | H27 | H28 | 116.4° | 120.0° |
| N3 | C26 | C27 | H29 | 171.3° | 171.5° |
| N3 | C26 | C27 | H30 | 51.5° | 51.6° |
| C26 | N3 | C28 | H32 | 179.4° | 65.6° |
| C26 | N3 | C28 | H33 | 61.4° | 174.4° |
| S1 | C4 | C19 | C3 | 179.4° | 180.0° |
| S1 | C4 | C19 | C20 | 179.4° | 180.0° |
| S1 | C4 | C3 | C2 | 179.6° | 179.9° |
| S1 | C4 | C3 | H4 | 0.4° | 0.1° |
| O6 | C27 | C26 | H27 | 170.3° | 51.6° |
| O6 | C27 | C26 | H28 | 52.6° | 171.5° |
| O6 | C27 | H29 | H30 | 119.8° | 120.0° |
| C4 | C19 | C20 | C21 | 0.4° | 0.2° |
| C19 | C4 | C3 | C2 | 0.3° | 0.0° |
| C19 | C4 | C3 | H4 | 179.7° | 180.0° |
| C4 | C19 | C20 | H17 | 179.6° | 180.0° |
| C20 | C19 | C4 | C3 | 0.0° | 0.0° |
| C19 | C20 | C21 | H17 | 180.0° | 179.7° |
| C19 | C20 | C21 | C2 | 0.4° | 0.4° |
| C19 | C20 | C21 | O5 | 179.9° | 180.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C21 | 0.3° | 0.3° |
| C4 | C3 | C2 | O1 | 179.8° | 180.0° |
| C20 | C21 | C2 | C3 | 0.1° | 0.5° |
| C20 | C21 | C2 | O5 | 179.5° | 179.6° |
| C20 | C21 | C2 | O1 | 179.8° | 179.8° |
| C20 | C21 | O5 | C22 | 24.6° | 0.1° |
| C3 | C2 | C21 | O1 | 179.9° | 179.8° |
| C3 | C2 | C21 | O5 | 179.6° | 179.9° |
| C3 | C2 | O1 | C1 | 99.6° | 0.0° |
| N3 | C24 | C23 | H22 | 121.2° | 120.0° |
| N3 | C24 | C23 | H23 | 121.2° | 120.0° |
| C24 | N3 | C25 | C28 | 120.6° | 120.0° |
| N3 | C24 | C23 | C22 | 179.7° | 180.0° |
| C24 | N3 | C28 | C29 | 60.2° | 174.4° |
| N3 | C24 | C23 | H20 | 59.1° | 60.0° |
| N3 | C24 | C23 | H21 | 59.7° | 60.0° |
| N3 | C24 | H22 | H23 | 116.1° | 120.0° |
| C24 | N3 | C25 | H24 | 63.5° | 62.8° |
| C24 | N3 | C25 | H25 | 56.5° | 177.2° |
| C24 | N3 | C25 | H26 | 176.5° | 57.2° |
| C24 | N3 | C26 | H27 | 43.5° | 66.0° |
| C24 | N3 | C26 | H28 | 74.2° | 174.1° |
| C24 | N3 | C28 | H32 | 60.9° | 54.4° |
| C24 | N3 | C28 | H33 | 178.8° | 65.6° |
| C24 | C23 | C22 | O5 | 51.4° | 180.0° |
| C23 | C24 | N3 | C25 | 56.6° | 66.1° |
| C23 | C24 | N3 | C28 | 62.2° | 53.9° |
| C24 | C23 | C22 | H20 | 120.6° | 120.0° |
| C24 | C23 | C22 | H21 | 120.6° | 120.0° |
| C24 | C23 | C22 | H18 | 171.4° | 60.0° |
| C24 | C23 | C22 | H19 | 68.5° | 60.0° |
| C24 | C23 | H20 | H21 | 118.2° | 120.0° |
| C23 | C24 | H22 | H23 | 116.1° | 120.0° |
| C2 | C21 | O5 | C22 | 155.9° | 179.5° |
| C21 | C2 | O1 | C1 | 80.5° | 179.7° |
| C21 | C2 | C3 | H4 | 179.7° | 179.7° |
| C2 | C21 | C20 | H17 | 179.6° | 179.8° |
| O5 | C21 | C2 | O1 | 0.4° | 0.2° |
| C21 | O5 | C22 | C23 | 172.0° | 179.9° |
| O5 | C21 | C20 | H17 | 0.1° | 0.2° |
| C21 | O5 | C22 | H18 | 52.0° | 60.0° |
| C21 | O5 | C22 | H19 | 68.1° | 60.0° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | H4 | 0.2° | 0.0° |
| O5 | C22 | C23 | H18 | 119.9° | 120.0° |
| O5 | C22 | C23 | H19 | 119.9° | 120.0° |
| O5 | C22 | H18 | H19 | 120.2° | 120.0° |
| O5 | C22 | C23 | H20 | 172.0° | 60.0° |
| O5 | C22 | C23 | H21 | 69.2° | 60.0° |
| C25 | N3 | C28 | C29 | 179.4° | 65.6° |
| C25 | N3 | C24 | H22 | 177.8° | 53.9° |
| C25 | N3 | C24 | H23 | 64.7° | 174.0° |
| N3 | C25 | H24 | H25 | 120.0° | 120.0° |
| N3 | C25 | H24 | H26 | 120.0° | 120.1° |
| N3 | C25 | H25 | H26 | 120.0° | 120.0° |
| C25 | N3 | C26 | H27 | 161.3° | 174.0° |
| C25 | N3 | C26 | H28 | 43.6° | 54.1° |
| C25 | N3 | C28 | H32 | 58.4° | 174.4° |
| C25 | N3 | C28 | H33 | 59.6° | 54.4° |
| N3 | C28 | C29 | H32 | 121.0° | 120.0° |
| N3 | C28 | C29 | H33 | 121.0° | 120.0° |
| N3 | C28 | C29 | O7 | 163.7° | 68.3° |
| C28 | N3 | C24 | H22 | 59.1° | 173.9° |
| C28 | N3 | C24 | H23 | 176.6° | 66.1° |
| C28 | N3 | C25 | H24 | 57.1° | 177.2° |
| C28 | N3 | C25 | H25 | 177.1° | 57.2° |
| C28 | N3 | C25 | H26 | 62.9° | 62.8° |
| C28 | N3 | C26 | H27 | 78.6° | 54.0° |
| C28 | N3 | C26 | H28 | 163.7° | 65.9° |
| N3 | C28 | H32 | H33 | 116.8° | 120.0° |
| N3 | C28 | C29 | H34 | 43.6° | 171.7° |
| N3 | C28 | C29 | H35 | 76.2° | 51.7° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C23 | C22 | H18 | H19 | 120.2° | 120.0° |
| C22 | C23 | H20 | H21 | 118.2° | 120.0° |
| C22 | C23 | C24 | H22 | 59.1° | 60.0° |
| C22 | C23 | C24 | H23 | 58.5° | 60.0° |
| C28 | C29 | O7 | H34 | 120.1° | 120.1° |
| C28 | C29 | O7 | H35 | 120.1° | 120.0° |
| C29 | C28 | H32 | H33 | 116.7° | 120.0° |
| C28 | C29 | H34 | H35 | 119.8° | 120.0° |
| C28 | C29 | O7 | H36 | 180.0° | 180.0° |
| O7 | C29 | C28 | H32 | 75.2° | 51.7° |
| O7 | C29 | C28 | H33 | 42.7° | 171.7° |
| O7 | C29 | H34 | H35 | 119.8° | 119.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H5 | C6 | N1 | H7 | 53.2° | 119.9° |
| H6 | C6 | N1 | H7 | 172.2° | 120.0° |
| H18 | C22 | C23 | H20 | 68.1° | 180.0° |
| H18 | C22 | C23 | H21 | 50.7° | 60.0° |
| H19 | C22 | C23 | H20 | 52.0° | 60.0° |
| H19 | C22 | C23 | H21 | 170.8° | 180.0° |
| H20 | C23 | C24 | H22 | 179.7° | 180.0° |
| H20 | C23 | C24 | H23 | 62.1° | 60.0° |
| H21 | C23 | C24 | H22 | 61.5° | 60.0° |
| H21 | C23 | C24 | H23 | 179.1° | 180.0° |
| H24 | C25 | H25 | H26 | 120.0° | 120.0° |
| H27 | C26 | C27 | H29 | 50.2° | 68.5° |
| H27 | C26 | C27 | H30 | 69.6° | 171.6° |
| H28 | C26 | C27 | H29 | 67.5° | 51.5° |
| H28 | C26 | C27 | H30 | 172.6° | 68.5° |
| H29 | C27 | O6 | H31 | 59.9° | 60.0° |
| H30 | C27 | O6 | H31 | 59.9° | 60.0° |
| H32 | C28 | C29 | H34 | 164.7° | 68.3° |
| H32 | C28 | C29 | H35 | 44.9° | 171.7° |
| H33 | C28 | C29 | H34 | 77.4° | 51.7° |
| H33 | C28 | C29 | H35 | 162.8° | 68.3° |
| H34 | C29 | O7 | H36 | 59.9° | 59.9° |
| H35 | C29 | O7 | H36 | 59.9° | 60.0° |
