KJS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C20 | sing | 1.43Å | 1.44Å | |
| O1 | C19 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | N2 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | N2 | sing | 1.47Å | 1.46Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| N2 | C17 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C6 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N | doub | 1.30Å | 1.31Å | Aromatic |
| C9 | N1 | sing | 1.36Å | 1.37Å | Aromatic |
| N | C10 | sing | 1.36Å | 1.39Å | Aromatic |
| C16 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C3 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| O | C2 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C22 | sing | 1.48Å | 1.48Å | |
| C25 | C22 | sing | 1.42Å | 1.42Å | Aromatic |
| C25 | N3 | doub | 1.30Å | 1.30Å | Aromatic |
| C22 | C23 | doub | 1.37Å | 1.36Å | Aromatic |
| N3 | O2 | sing | 1.21Å | 1.43Å | Aromatic |
| C23 | O2 | sing | 1.34Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C | H35 | sing | 1.09Å | 1.10Å | |
| C | H36 | sing | 1.09Å | 1.10Å | |
| C | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | O1 | C19 | 110.9° | 113.7° |
| O1 | C20 | C21 | 111.7° | 109.3° |
| O1 | C20 | H23 | 108.9° | 109.5° |
| O1 | C20 | H24 | 108.9° | 109.5° |
| O1 | C19 | C18 | 111.2° | 109.3° |
| O1 | C19 | H25 | 109.0° | 109.5° |
| O1 | C19 | H26 | 109.0° | 109.5° |
| C20 | C21 | N2 | 110.1° | 109.2° |
| C20 | C21 | H21 | 109.3° | 109.5° |
| C20 | C21 | H22 | 109.3° | 109.5° |
| C21 | C20 | H23 | 108.9° | 109.5° |
| C21 | C20 | H24 | 108.9° | 109.5° |
| C21 | N2 | C18 | 108.9° | 110.8° |
| C21 | N2 | C17 | 109.9° | 111.0° |
| N2 | C21 | H21 | 109.3° | 109.5° |
| N2 | C21 | H22 | 109.3° | 109.5° |
| C19 | C18 | N2 | 109.8° | 109.3° |
| C18 | C19 | H25 | 109.0° | 109.5° |
| C18 | C19 | H26 | 109.0° | 109.5° |
| C19 | C18 | H27 | 109.4° | 109.5° |
| C19 | C18 | H28 | 109.4° | 109.5° |
| C18 | N2 | C17 | 110.9° | 111.0° |
| N2 | C18 | H27 | 109.4° | 109.5° |
| N2 | C18 | H28 | 109.4° | 109.5° |
| C7 | C8 | C9 | 112.6° | 109.5° |
| C8 | C7 | C6 | 112.4° | 109.5° |
| C8 | C7 | H3 | 108.8° | 109.5° |
| C8 | C7 | H4 | 108.8° | 109.5° |
| C7 | C8 | H5 | 108.7° | 109.4° |
| C7 | C8 | H6 | 108.7° | 109.5° |
| C8 | C9 | N | 124.2° | 124.9° |
| C8 | C9 | N1 | 122.8° | 124.9° |
| C9 | C8 | H5 | 108.7° | 109.5° |
| C9 | C8 | H6 | 108.7° | 109.5° |
| C7 | C6 | C5 | 120.5° | 119.9° |
| C7 | C6 | C27 | 121.1° | 119.9° |
| C6 | C7 | H3 | 108.7° | 109.5° |
| C6 | C7 | H4 | 108.7° | 109.5° |
| N2 | C17 | C16 | 112.2° | 109.5° |
| N2 | C17 | H19 | 108.8° | 109.5° |
| N2 | C17 | H20 | 108.8° | 109.4° |
| C6 | C5 | C4 | 121.0° | 120.1° |
| C5 | C6 | C27 | 118.3° | 120.1° |
| C6 | C5 | H2 | 119.5° | 120.0° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C5 | C4 | H1 | 120.1° | 120.0° |
| C4 | C5 | H2 | 119.5° | 120.0° |
| C17 | C16 | N1 | 111.6° | 109.4° |
| C17 | C16 | H17 | 109.0° | 109.5° |
| C17 | C16 | H18 | 108.9° | 109.5° |
| C16 | C17 | H19 | 108.8° | 109.5° |
| C16 | C17 | H20 | 108.8° | 109.5° |
| C6 | C27 | C28 | 121.1° | 120.1° |
| C6 | C27 | H29 | 119.5° | 120.0° |
| C4 | C3 | O | 110.0° | 120.0° |
| C4 | C3 | C28 | 119.7° | 119.9° |
| C3 | C4 | H1 | 120.1° | 120.0° |
| N | C9 | N1 | 113.0° | 110.1° |
| C9 | N | C10 | 104.9° | 109.6° |
| C9 | N1 | C16 | 129.1° | 126.4° |
| C9 | N1 | C15 | 106.5° | 107.3° |
| N | C10 | C15 | 110.2° | 107.0° |
| N | C10 | C11 | 130.2° | 133.5° |
| C16 | N1 | C15 | 124.4° | 126.3° |
| N1 | C16 | H17 | 108.9° | 109.5° |
| N1 | C16 | H18 | 109.0° | 109.5° |
| N1 | C15 | C10 | 105.4° | 105.9° |
| N1 | C15 | C14 | 132.2° | 134.0° |
| C27 | C28 | C3 | 119.4° | 119.9° |
| C28 | C27 | H29 | 119.5° | 120.0° |
| C27 | C28 | H30 | 120.3° | 120.0° |
| O | C3 | C28 | 130.3° | 120.1° |
| C3 | O | C2 | 119.6° | 117.0° |
| C3 | C28 | H30 | 120.3° | 120.0° |
| C15 | C10 | C11 | 119.6° | 119.5° |
| C10 | C15 | C14 | 122.3° | 120.1° |
| C10 | C11 | C12 | 118.8° | 119.5° |
| C10 | C11 | H8 | 120.6° | 120.3° |
| O | C2 | C1 | 106.7° | 109.5° |
| O | C2 | H31 | 110.2° | 109.5° |
| O | C2 | H32 | 110.2° | 109.4° |
| C15 | C14 | C13 | 117.7° | 120.1° |
| C15 | C14 | H10 | 121.1° | 119.9° |
| C | C1 | C2 | 113.6° | 109.4° |
| C | C1 | H33 | 108.4° | 109.5° |
| C | C1 | H34 | 108.4° | 109.4° |
| C1 | C | H35 | 109.5° | 109.4° |
| C1 | C | H36 | 109.5° | 109.5° |
| C1 | C | H37 | 109.5° | 109.4° |
| C11 | C12 | C13 | 120.5° | 120.3° |
| C11 | C12 | C22 | 119.8° | 119.8° |
| C12 | C11 | H8 | 120.6° | 120.2° |
| C14 | C13 | C12 | 121.2° | 120.5° |
| C14 | C13 | H9 | 119.4° | 119.7° |
| C13 | C14 | H10 | 121.2° | 120.0° |
| C26 | C25 | C22 | 129.0° | 126.8° |
| C26 | C25 | N3 | 120.0° | 126.9° |
| C25 | C26 | H11 | 109.5° | 109.5° |
| C25 | C26 | H12 | 109.4° | 109.5° |
| C25 | C26 | H13 | 109.5° | 109.5° |
| C1 | C2 | H31 | 110.2° | 109.5° |
| C1 | C2 | H32 | 110.2° | 109.5° |
| C2 | C1 | H33 | 108.4° | 109.5° |
| C2 | C1 | H34 | 108.4° | 109.4° |
| C13 | C12 | C22 | 119.7° | 119.9° |
| C12 | C13 | H9 | 119.4° | 119.8° |
| C12 | C22 | C25 | 129.2° | 128.2° |
| C12 | C22 | C23 | 124.9° | 128.1° |
| C22 | C25 | N3 | 111.0° | 106.3° |
| C25 | C22 | C23 | 105.4° | 103.7° |
| C25 | N3 | O2 | 106.1° | 112.0° |
| C22 | C23 | O2 | 109.2° | 106.2° |
| C22 | C23 | C24 | 134.0° | 126.9° |
| N3 | O2 | C23 | 108.2° | 111.8° |
| O2 | C23 | C24 | 116.7° | 126.9° |
| C23 | C24 | H14 | 109.5° | 109.4° |
| C23 | C24 | H15 | 109.4° | 109.5° |
| C23 | C24 | H16 | 109.4° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H11 | C26 | H13 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H14 | C24 | H16 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.5° |
| H19 | C17 | H20 | 109.4° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.4° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.6° |
| H31 | C2 | H32 | 109.5° | 109.4° |
| H33 | C1 | H34 | 109.4° | 109.5° |
| H35 | C | H36 | 109.5° | 109.5° |
| H35 | C | H37 | 109.5° | 109.5° |
| H36 | C | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C20 | C21 | H23 | 120.4° | 120.0° |
| O1 | C20 | C21 | H24 | 120.4° | 119.9° |
| O1 | C20 | C21 | N2 | 56.3° | 56.8° |
| C20 | O1 | C19 | C18 | 56.5° | 58.7° |
| O1 | C20 | C21 | H21 | 63.8° | 176.8° |
| O1 | C20 | C21 | H22 | 176.4° | 63.1° |
| O1 | C20 | H23 | H24 | 118.9° | 120.2° |
| C20 | O1 | C19 | H25 | 63.8° | 61.3° |
| C20 | O1 | C19 | H26 | 176.7° | 178.6° |
| C19 | O1 | C20 | C21 | 55.1° | 58.7° |
| O1 | C19 | C18 | H25 | 120.3° | 119.9° |
| O1 | C19 | C18 | H26 | 120.3° | 119.9° |
| O1 | C19 | C18 | N2 | 59.2° | 56.9° |
| C19 | O1 | C20 | H23 | 175.5° | 61.3° |
| C19 | O1 | C20 | H24 | 65.3° | 178.6° |
| O1 | C19 | H25 | H26 | 119.2° | 120.1° |
| O1 | C19 | C18 | H27 | 179.3° | 63.1° |
| O1 | C19 | C18 | H28 | 60.8° | 176.8° |
| C20 | C21 | N2 | H21 | 120.1° | 119.9° |
| C20 | C21 | N2 | H22 | 120.1° | 119.9° |
| C20 | C21 | N2 | C18 | 58.0° | 58.6° |
| C20 | C21 | N2 | C17 | 179.8° | 177.6° |
| C20 | C21 | H21 | H22 | 119.7° | 120.2° |
| C21 | C20 | H23 | H24 | 119.0° | 120.0° |
| C21 | N2 | C18 | C19 | 59.5° | 58.6° |
| C21 | N2 | C18 | C17 | 121.1° | 123.8° |
| C21 | N2 | C17 | C16 | 82.4° | 170.0° |
| C21 | N2 | C17 | H19 | 157.2° | 70.0° |
| C21 | N2 | C17 | H20 | 38.0° | 49.9° |
| N2 | C21 | H21 | H22 | 119.7° | 120.1° |
| N2 | C21 | C20 | H23 | 176.7° | 63.1° |
| N2 | C21 | C20 | H24 | 64.0° | 176.8° |
| C21 | N2 | C18 | H27 | 179.6° | 61.4° |
| C21 | N2 | C18 | H28 | 60.5° | 178.5° |
| C19 | C18 | N2 | H27 | 120.1° | 120.0° |
| C19 | C18 | N2 | H28 | 120.0° | 119.9° |
| C19 | C18 | N2 | C17 | 179.4° | 177.6° |
| C18 | C19 | H25 | H26 | 119.2° | 120.1° |
| C19 | C18 | H27 | H28 | 119.8° | 120.1° |
| C18 | N2 | C17 | C16 | 157.1° | 66.3° |
| C18 | N2 | C17 | H19 | 36.7° | 53.7° |
| C18 | N2 | C17 | H20 | 82.5° | 173.6° |
| C18 | N2 | C21 | H21 | 62.1° | 178.5° |
| C18 | N2 | C21 | H22 | 178.1° | 61.4° |
| N2 | C18 | C19 | H25 | 61.0° | 63.1° |
| N2 | C18 | C19 | H26 | 179.5° | 176.8° |
| N2 | C18 | H27 | H28 | 119.8° | 120.1° |
| C7 | C8 | C9 | H5 | 120.5° | 120.0° |
| C7 | C8 | C9 | H6 | 120.5° | 120.0° |
| C8 | C7 | C6 | H3 | 120.5° | 120.0° |
| C8 | C7 | C6 | H4 | 120.4° | 120.1° |
| C8 | C7 | C6 | C5 | 66.4° | 90.0° |
| C8 | C7 | C6 | C27 | 117.0° | 89.9° |
| C7 | C8 | C9 | N | 105.3° | 90.0° |
| C7 | C8 | C9 | N1 | 74.8° | 90.0° |
| C8 | C7 | H3 | H4 | 118.7° | 120.0° |
| C7 | C8 | H5 | H6 | 118.6° | 120.0° |
| C9 | C8 | C7 | C6 | 64.0° | 180.0° |
| C8 | C9 | N | N1 | 179.9° | 179.9° |
| C8 | C9 | N | C10 | 179.7° | 179.9° |
| C8 | C9 | N1 | C16 | 0.6° | 0.2° |
| C8 | C9 | N1 | C15 | 179.6° | 180.0° |
| C9 | C8 | C7 | H3 | 175.6° | 60.0° |
| C9 | C8 | C7 | H4 | 56.5° | 60.0° |
| C9 | C8 | H5 | H6 | 118.5° | 120.0° |
| C7 | C6 | C5 | C27 | 176.7° | 179.9° |
| C7 | C6 | C5 | C4 | 176.8° | 180.0° |
| C7 | C6 | C27 | C28 | 179.0° | 179.9° |
| C7 | C6 | C5 | H2 | 3.2° | 0.1° |
| C6 | C7 | H3 | H4 | 118.6° | 119.9° |
| C6 | C7 | C8 | H5 | 175.6° | 60.0° |
| C6 | C7 | C8 | H6 | 56.5° | 60.0° |
| C7 | C6 | C27 | H29 | 1.0° | 0.1° |
| N2 | C17 | C16 | H19 | 120.4° | 120.0° |
| N2 | C17 | C16 | H20 | 120.4° | 120.0° |
| N2 | C17 | C16 | N1 | 172.4° | 180.0° |
| N2 | C17 | C16 | H17 | 52.1° | 60.0° |
| N2 | C17 | C16 | H18 | 67.2° | 60.0° |
| N2 | C17 | H19 | H20 | 118.8° | 119.9° |
| C17 | N2 | C21 | H21 | 59.7° | 57.7° |
| C17 | N2 | C21 | H22 | 60.1° | 62.4° |
| C17 | N2 | C18 | H27 | 59.3° | 62.5° |
| C17 | N2 | C18 | H28 | 60.6° | 57.7° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C5 | C6 | C27 | C28 | 4.4° | 0.1° |
| C6 | C5 | C4 | H1 | 179.0° | 179.7° |
| C5 | C6 | C7 | H3 | 54.1° | 150.0° |
| C5 | C6 | C7 | H4 | 173.2° | 30.1° |
| C5 | C6 | C27 | H29 | 175.6° | 180.0° |
| C4 | C5 | C6 | C27 | 6.5° | 0.1° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | O | 174.3° | 179.7° |
| C5 | C4 | C3 | C28 | 6.7° | 0.0° |
| C17 | C16 | N1 | C9 | 78.9° | 89.8° |
| C17 | C16 | N1 | H17 | 120.3° | 120.0° |
| C17 | C16 | N1 | H18 | 120.3° | 120.0° |
| C17 | C16 | N1 | C15 | 100.0° | 90.0° |
| C17 | C16 | H17 | H18 | 119.0° | 120.0° |
| C16 | C17 | H19 | H20 | 118.8° | 120.1° |
| C6 | C27 | C28 | H29 | 180.0° | 179.9° |
| C6 | C27 | C28 | C3 | 3.2° | 0.0° |
| C27 | C6 | C5 | H2 | 173.5° | 180.0° |
| C27 | C6 | C7 | H3 | 122.5° | 30.1° |
| C27 | C6 | C7 | H4 | 3.4° | 150.0° |
| C6 | C27 | C28 | H30 | 176.8° | 179.9° |
| C4 | C3 | C28 | C27 | 8.8° | 0.0° |
| C4 | C3 | O | C28 | 178.8° | 179.6° |
| C4 | C3 | O | C2 | 175.5° | 180.0° |
| C3 | C4 | C5 | H2 | 179.0° | 180.0° |
| C4 | C3 | C28 | H30 | 171.2° | 180.0° |
| N | C9 | N1 | C16 | 179.4° | 179.8° |
| N | C9 | N1 | C15 | 0.3° | 0.0° |
| C9 | N | C10 | C15 | 0.1° | 0.0° |
| C9 | N | C10 | C11 | 177.6° | 179.9° |
| N | C9 | C8 | H5 | 134.2° | 29.9° |
| N | C9 | C8 | H6 | 15.1° | 150.0° |
| N1 | C9 | N | C10 | 0.3° | 0.0° |
| C9 | N1 | C16 | C15 | 178.9° | 179.8° |
| C9 | N1 | C15 | C10 | 0.2° | 0.1° |
| C9 | N1 | C15 | C14 | 177.2° | 180.0° |
| N1 | C9 | C8 | H5 | 45.7° | 150.0° |
| N1 | C9 | C8 | H6 | 164.8° | 30.0° |
| C9 | N1 | C16 | H17 | 41.4° | 30.3° |
| C9 | N1 | C16 | H18 | 160.8° | 150.3° |
| N | C10 | C15 | N1 | 0.1° | 0.1° |
| N | C10 | C15 | C11 | 178.0° | 179.9° |
| N | C10 | C15 | C14 | 177.7° | 180.0° |
| N | C10 | C11 | C12 | 176.2° | 180.0° |
| N | C10 | C11 | H8 | 3.8° | 0.1° |
| C16 | N1 | C15 | C10 | 179.3° | 179.7° |
| C16 | N1 | C15 | C14 | 1.8° | 0.2° |
| N1 | C16 | H17 | H18 | 119.1° | 120.0° |
| N1 | C16 | C17 | H19 | 67.2° | 60.0° |
| N1 | C16 | C17 | H20 | 52.0° | 60.0° |
| N1 | C15 | C10 | C14 | 177.8° | 180.0° |
| N1 | C15 | C10 | C11 | 178.1° | 179.9° |
| N1 | C15 | C14 | C13 | 176.4° | 180.0° |
| N1 | C15 | C14 | H10 | 3.6° | 0.1° |
| C15 | N1 | C16 | H17 | 139.7° | 150.0° |
| C15 | N1 | C16 | H18 | 20.4° | 30.0° |
| C27 | C28 | C3 | O | 172.5° | 179.7° |
| C27 | C28 | C3 | H30 | 180.0° | 179.9° |
| C3 | O | C2 | C1 | 145.5° | 180.0° |
| O | C3 | C4 | H1 | 5.7° | 0.0° |
| O | C3 | C28 | H30 | 7.5° | 0.4° |
| C3 | O | C2 | H31 | 25.9° | 60.0° |
| C3 | O | C2 | H32 | 94.9° | 60.0° |
| C28 | C3 | O | C2 | 3.4° | 0.4° |
| C28 | C3 | C4 | H1 | 173.3° | 179.7° |
| C3 | C28 | C27 | H29 | 176.8° | 179.9° |
| C15 | C10 | C11 | C12 | 1.3° | 0.1° |
| C10 | C15 | C14 | C13 | 0.8° | 0.0° |
| C15 | C10 | C11 | H8 | 178.7° | 180.0° |
| C10 | C15 | C14 | H10 | 179.2° | 180.0° |
| C11 | C10 | C15 | C14 | 0.3° | 0.1° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.2° | 0.1° |
| C10 | C11 | C12 | C22 | 178.9° | 179.9° |
| O | C2 | C1 | C | 70.6° | 180.0° |
| O | C2 | C1 | H31 | 119.6° | 120.0° |
| O | C2 | C1 | H32 | 119.6° | 120.0° |
| O | C2 | H31 | H32 | 121.3° | 120.0° |
| O | C2 | C1 | H33 | 50.0° | 60.0° |
| O | C2 | C1 | H34 | 168.7° | 60.1° |
| C15 | C14 | C13 | H10 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.8° | 0.0° |
| C15 | C14 | C13 | H9 | 179.2° | 180.0° |
| C | C1 | C2 | H33 | 120.6° | 120.0° |
| C | C1 | C2 | H34 | 120.6° | 119.9° |
| C | C1 | C2 | H31 | 48.9° | 60.0° |
| C | C1 | C2 | H32 | 169.8° | 60.0° |
| C | C1 | H33 | H34 | 118.1° | 120.0° |
| C1 | C | H35 | H36 | 120.0° | 120.0° |
| C1 | C | H35 | H37 | 120.0° | 120.0° |
| C1 | C | H36 | H37 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | C22 | 177.6° | 180.0° |
| C11 | C12 | C22 | C25 | 52.0° | 115.0° |
| C11 | C12 | C22 | C23 | 118.2° | 65.0° |
| C11 | C12 | C13 | H9 | 179.8° | 180.0° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C22 | 177.8° | 180.0° |
| C26 | C25 | C22 | C12 | 8.4° | 0.0° |
| C26 | C25 | C22 | N3 | 180.0° | 180.0° |
| C26 | C25 | C22 | C23 | 179.8° | 180.0° |
| C26 | C25 | N3 | O2 | 179.9° | 180.0° |
| C25 | C26 | H11 | H12 | 120.0° | 120.0° |
| C25 | C26 | H11 | H13 | 120.0° | 120.0° |
| C25 | C26 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H31 | H32 | 121.3° | 120.0° |
| C2 | C1 | H33 | H34 | 118.1° | 120.0° |
| C2 | C1 | C | H35 | 180.0° | 180.0° |
| C2 | C1 | C | H36 | 60.0° | 59.9° |
| C2 | C1 | C | H37 | 60.0° | 60.0° |
| C13 | C12 | C22 | C25 | 130.3° | 65.0° |
| C13 | C12 | C22 | C23 | 59.4° | 115.0° |
| C13 | C12 | C11 | H8 | 178.7° | 180.0° |
| C12 | C13 | C14 | H10 | 179.2° | 179.9° |
| C12 | C22 | C25 | C23 | 171.7° | 180.0° |
| C12 | C22 | C25 | N3 | 171.5° | 180.0° |
| C12 | C22 | C23 | O2 | 171.7° | 179.9° |
| C12 | C22 | C23 | C24 | 9.7° | 0.0° |
| C22 | C12 | C11 | H8 | 1.1° | 0.0° |
| C22 | C12 | C13 | H9 | 2.1° | 0.0° |
| C22 | C25 | N3 | O2 | 0.1° | 0.0° |
| C25 | C22 | C23 | O2 | 0.4° | 0.0° |
| C25 | C22 | C23 | C24 | 178.1° | 180.0° |
| C22 | C25 | C26 | H11 | 180.0° | 90.0° |
| C22 | C25 | C26 | H12 | 60.0° | 150.0° |
| C22 | C25 | C26 | H13 | 60.0° | 30.0° |
| N3 | C25 | C22 | C23 | 0.2° | 0.0° |
| C25 | N3 | O2 | C23 | 0.4° | 0.0° |
| N3 | C25 | C26 | H11 | 0.0° | 89.9° |
| N3 | C25 | C26 | H12 | 120.0° | 30.0° |
| N3 | C25 | C26 | H13 | 120.0° | 150.0° |
| C22 | C23 | O2 | N3 | 0.5° | 0.1° |
| C22 | C23 | O2 | C24 | 178.9° | 179.9° |
| C22 | C23 | C24 | H14 | 178.5° | 180.0° |
| C22 | C23 | C24 | H15 | 61.5° | 60.0° |
| C22 | C23 | C24 | H16 | 58.5° | 60.0° |
| N3 | O2 | C23 | C24 | 178.3° | 180.0° |
| O2 | C23 | C24 | H14 | 0.0° | 0.1° |
| O2 | C23 | C24 | H15 | 120.0° | 119.9° |
| O2 | C23 | C24 | H16 | 120.0° | 120.1° |
| C23 | C24 | H14 | H15 | 120.0° | 120.0° |
| C23 | C24 | H14 | H16 | 120.0° | 120.0° |
| C23 | C24 | H15 | H16 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 1.0° | 0.3° |
| H3 | C7 | C8 | H5 | 55.2° | 180.0° |
| H3 | C7 | C8 | H6 | 63.9° | 60.0° |
| H4 | C7 | C8 | H5 | 64.0° | 60.0° |
| H4 | C7 | C8 | H6 | 176.9° | 180.0° |
| H9 | C13 | C14 | H10 | 0.8° | 0.1° |
| H11 | C26 | H12 | H13 | 120.0° | 120.0° |
| H14 | C24 | H15 | H16 | 120.0° | 120.0° |
| H17 | C16 | C17 | H19 | 172.5° | 60.0° |
| H17 | C16 | C17 | H20 | 68.3° | 180.0° |
| H18 | C16 | C17 | H19 | 53.2° | 180.0° |
| H18 | C16 | C17 | H20 | 172.3° | 60.0° |
| H21 | C21 | C20 | H23 | 56.6° | 56.8° |
| H21 | C21 | C20 | H24 | 175.9° | 63.3° |
| H22 | C21 | C20 | H23 | 63.2° | 177.0° |
| H22 | C21 | C20 | H24 | 56.0° | 56.9° |
| H25 | C19 | C18 | H27 | 59.0° | 177.0° |
| H25 | C19 | C18 | H28 | 178.9° | 56.8° |
| H26 | C19 | C18 | H27 | 60.4° | 56.8° |
| H26 | C19 | C18 | H28 | 59.4° | 63.3° |
| H29 | C27 | C28 | H30 | 3.2° | 0.0° |
| H31 | C2 | C1 | H33 | 169.6° | 180.0° |
| H31 | C2 | C1 | H34 | 71.7° | 60.0° |
| H32 | C2 | C1 | H33 | 69.5° | 60.0° |
| H32 | C2 | C1 | H34 | 49.2° | 179.9° |
| H33 | C1 | C | H35 | 59.4° | 60.0° |
| H33 | C1 | C | H36 | 60.6° | 180.0° |
| H33 | C1 | C | H37 | 179.3° | 60.0° |
| H34 | C1 | C | H35 | 59.3° | 60.1° |
| H34 | C1 | C | H36 | 179.4° | 59.9° |
| H34 | C1 | C | H37 | 60.6° | 179.9° |
| H35 | C | H36 | H37 | 120.0° | 120.1° |
