A3O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.54Å | 1.51Å | |
| C6 | C1 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C14 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | O4 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C14 | O1 | doub | 1.21Å | 1.22Å | |
| C14 | O | sing | 1.34Å | 1.46Å | |
| O | C15 | sing | 1.45Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | O2 | doub | 1.21Å | 1.22Å | |
| C16 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C10 | sing | 1.46Å | 1.46Å | |
| C43 | N44 | doub | 1.32Å | 1.34Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C17 | sing | 1.51Å | 1.51Å | |
| N44 | C45 | sing | 1.32Å | 1.35Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.48Å | 1.49Å | |
| C45 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.40Å | 1.38Å | Aromatic |
| C23 | O24 | doub | 1.22Å | 1.22Å | |
| C23 | N25 | sing | 1.35Å | 1.33Å | |
| C40 | C37 | sing | 1.48Å | 1.48Å | |
| N25 | C26 | sing | 1.40Å | 1.35Å | |
| C27 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | C28 | sing | 1.51Å | 1.49Å | |
| C37 | N38 | doub | 1.33Å | 1.36Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| N38 | C33 | sing | 1.32Å | 1.35Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | N32 | sing | 1.40Å | 1.35Å | |
| C33 | N32 | sing | 1.39Å | 1.34Å | |
| C33 | N34 | doub | 1.33Å | 1.35Å | Aromatic |
| C35 | N34 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.08Å | 1.08Å | |
| C36 | H22 | sing | 1.08Å | 1.08Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.08Å | 1.08Å | |
| C43 | H28 | sing | 1.08Å | 1.08Å | |
| C45 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| N25 | H33 | sing | 0.97Å | 1.00Å | |
| N32 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C4 | C5 | 106.8° | 109.3° |
| C7 | C4 | C14 | 108.8° | 109.4° |
| C7 | C4 | C3 | 113.1° | 109.4° |
| C4 | C7 | H10 | 109.5° | 109.4° |
| C4 | C7 | H11 | 109.5° | 109.4° |
| C4 | C7 | H12 | 109.5° | 109.5° |
| C5 | C6 | C1 | 109.6° | 108.5° |
| C6 | C5 | C4 | 114.0° | 109.4° |
| C6 | C5 | H2 | 108.3° | 109.6° |
| C6 | C5 | H3 | 108.3° | 109.4° |
| C5 | C6 | H4 | 109.4° | 109.6° |
| C5 | C6 | H5 | 109.4° | 109.6° |
| C6 | C1 | O4 | 117.7° | 120.8° |
| C6 | C1 | C2 | 123.1° | 118.3° |
| C1 | C6 | H4 | 109.4° | 109.7° |
| C1 | C6 | H5 | 109.4° | 109.7° |
| C5 | C4 | C14 | 105.5° | 109.4° |
| C5 | C4 | C3 | 112.0° | 109.8° |
| C4 | C5 | H2 | 108.3° | 109.5° |
| C4 | C5 | H3 | 108.3° | 109.5° |
| C14 | C4 | C3 | 110.3° | 109.4° |
| C4 | C14 | O1 | 120.0° | 120.0° |
| C4 | C14 | O | 121.4° | 120.0° |
| C4 | C3 | C2 | 118.2° | 109.4° |
| C4 | C3 | H30 | 107.3° | 109.5° |
| C4 | C3 | H31 | 107.2° | 109.5° |
| O4 | C1 | C2 | 119.0° | 120.9° |
| C1 | C2 | C3 | 116.0° | 108.7° |
| C1 | C2 | C16 | 109.5° | 109.6° |
| C1 | C2 | H1 | 106.1° | 109.6° |
| O1 | C14 | O | 118.5° | 120.0° |
| C14 | O | C15 | 120.1° | 117.0° |
| O | C15 | H13 | 109.5° | 109.5° |
| O | C15 | H14 | 109.5° | 109.4° |
| O | C15 | H15 | 109.5° | 109.4° |
| C3 | C2 | C16 | 112.9° | 109.7° |
| C3 | C2 | H1 | 105.6° | 109.7° |
| C2 | C3 | H30 | 107.2° | 109.5° |
| C2 | C3 | H31 | 107.3° | 109.5° |
| C2 | C16 | O2 | 117.8° | 120.0° |
| C2 | C16 | N2 | 117.2° | 120.0° |
| C16 | C2 | H1 | 106.0° | 109.6° |
| O2 | C16 | N2 | 125.0° | 120.0° |
| C16 | N2 | C10 | 131.5° | 120.0° |
| C16 | N2 | H32 | 114.3° | 120.0° |
| N2 | C10 | C17 | 117.3° | 109.5° |
| N2 | C10 | H16 | 107.5° | 109.5° |
| N2 | C10 | H17 | 107.5° | 109.5° |
| C10 | N2 | H32 | 114.2° | 120.0° |
| N44 | C43 | C42 | 118.8° | 121.0° |
| C43 | N44 | C45 | 122.1° | 121.8° |
| N44 | C43 | H28 | 120.6° | 119.5° |
| C43 | C42 | C41 | 120.4° | 119.3° |
| C43 | C42 | H27 | 119.8° | 120.3° |
| C42 | C43 | H28 | 120.6° | 119.5° |
| C19 | C18 | C17 | 119.9° | 120.3° |
| C18 | C19 | C20 | 120.9° | 120.1° |
| C19 | C18 | H6 | 120.1° | 119.8° |
| C18 | C19 | H7 | 119.6° | 119.9° |
| C18 | C17 | C10 | 118.9° | 119.9° |
| C18 | C17 | C22 | 119.7° | 120.1° |
| C17 | C18 | H6 | 120.1° | 119.9° |
| C19 | C20 | C21 | 119.0° | 119.8° |
| C20 | C19 | H7 | 119.5° | 119.9° |
| C19 | C20 | H8 | 120.5° | 120.1° |
| C10 | C17 | C22 | 121.4° | 119.9° |
| C17 | C10 | H16 | 107.5° | 109.4° |
| C17 | C10 | H17 | 107.5° | 109.5° |
| N44 | C45 | C40 | 120.8° | 120.6° |
| N44 | C45 | H29 | 119.6° | 119.7° |
| C17 | C22 | C21 | 119.5° | 119.8° |
| C17 | C22 | H18 | 120.3° | 120.0° |
| C42 | C41 | C40 | 119.2° | 118.3° |
| C42 | C41 | H26 | 120.4° | 120.8° |
| C41 | C42 | H27 | 119.8° | 120.4° |
| C20 | C21 | C22 | 121.1° | 119.7° |
| C20 | C21 | C23 | 116.2° | 120.2° |
| C21 | C20 | H8 | 120.5° | 120.1° |
| C22 | C21 | C23 | 122.8° | 120.1° |
| C21 | C22 | H18 | 120.2° | 120.1° |
| C21 | C23 | O24 | 117.2° | 120.1° |
| C21 | C23 | N25 | 119.6° | 120.0° |
| C45 | C40 | C41 | 118.7° | 118.9° |
| C45 | C40 | C37 | 122.0° | 120.6° |
| C40 | C45 | H29 | 119.6° | 119.7° |
| C41 | C40 | C37 | 119.2° | 120.5° |
| C40 | C41 | H26 | 120.4° | 120.9° |
| O24 | C23 | N25 | 123.2° | 119.9° |
| C23 | N25 | C26 | 123.5° | 120.0° |
| C23 | N25 | H33 | 118.3° | 120.0° |
| C40 | C37 | N38 | 121.8° | 120.5° |
| C40 | C37 | C36 | 117.5° | 120.5° |
| N25 | C26 | C27 | 119.3° | 120.0° |
| N25 | C26 | C31 | 122.0° | 120.0° |
| C26 | N25 | H33 | 118.3° | 120.0° |
| C26 | C27 | C28 | 121.3° | 120.0° |
| C27 | C26 | C31 | 118.6° | 120.0° |
| C26 | C27 | H9 | 119.3° | 120.0° |
| C27 | C28 | C39 | 113.7° | 120.0° |
| C27 | C28 | C29 | 120.8° | 120.0° |
| C28 | C27 | H9 | 119.3° | 120.0° |
| C26 | C31 | C30 | 119.7° | 120.0° |
| C26 | C31 | H20 | 120.1° | 120.0° |
| C39 | C28 | C29 | 125.5° | 120.0° |
| C28 | C39 | H23 | 109.5° | 109.5° |
| C28 | C39 | H24 | 109.4° | 109.5° |
| C28 | C39 | H25 | 109.4° | 109.5° |
| N38 | C37 | C36 | 120.6° | 119.0° |
| C37 | N38 | C33 | 119.1° | 120.6° |
| C37 | C36 | C35 | 117.9° | 118.5° |
| C37 | C36 | H22 | 121.1° | 120.8° |
| C28 | C29 | C30 | 116.8° | 120.0° |
| C28 | C29 | N32 | 127.0° | 120.0° |
| N38 | C33 | N32 | 124.2° | 119.1° |
| N38 | C33 | N34 | 121.4° | 121.7° |
| C31 | C30 | C29 | 122.8° | 120.0° |
| C31 | C30 | H19 | 118.6° | 120.0° |
| C30 | C31 | H20 | 120.2° | 120.0° |
| C36 | C35 | N34 | 120.7° | 119.3° |
| C36 | C35 | H21 | 119.6° | 120.4° |
| C35 | C36 | H22 | 121.0° | 120.8° |
| C30 | C29 | N32 | 116.2° | 120.0° |
| C29 | C30 | H19 | 118.6° | 120.0° |
| C29 | N32 | C33 | 126.0° | 120.0° |
| C29 | N32 | H34 | 117.0° | 120.0° |
| N32 | C33 | N34 | 114.2° | 119.1° |
| C33 | N32 | H34 | 117.0° | 120.0° |
| C33 | N34 | C35 | 120.2° | 120.9° |
| N34 | C35 | H21 | 119.6° | 120.3° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.7° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H13 | C15 | H15 | 109.5° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| H23 | C39 | H24 | 109.5° | 109.5° |
| H23 | C39 | H25 | 109.5° | 109.5° |
| H24 | C39 | H25 | 109.5° | 109.4° |
| H30 | C3 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C4 | C5 | C6 | 68.4° | 56.4° |
| C7 | C4 | C5 | C14 | 115.7° | 119.8° |
| C7 | C4 | C5 | C3 | 124.4° | 120.1° |
| C7 | C4 | C14 | C3 | 124.6° | 119.8° |
| C7 | C4 | C14 | O1 | 127.4° | 119.9° |
| C7 | C4 | C14 | O | 55.9° | 60.2° |
| C7 | C4 | C3 | C2 | 88.5° | 56.4° |
| C7 | C4 | C5 | H2 | 52.3° | 176.5° |
| C7 | C4 | C5 | H3 | 170.9° | 63.5° |
| C4 | C7 | H10 | H11 | 120.0° | 119.9° |
| C4 | C7 | H10 | H12 | 120.0° | 120.0° |
| C4 | C7 | H11 | H12 | 120.0° | 120.0° |
| C7 | C4 | C3 | H30 | 32.8° | 176.4° |
| C7 | C4 | C3 | H31 | 150.3° | 63.6° |
| C5 | C6 | C1 | H4 | 120.0° | 119.7° |
| C5 | C6 | C1 | H5 | 120.0° | 119.7° |
| C6 | C5 | C4 | H2 | 120.7° | 120.1° |
| C6 | C5 | C4 | H3 | 120.7° | 119.9° |
| C6 | C5 | C4 | C14 | 175.9° | 176.2° |
| C6 | C5 | C4 | C3 | 55.9° | 63.7° |
| C5 | C6 | C1 | O4 | 149.7° | 128.7° |
| C5 | C6 | C1 | C2 | 34.8° | 51.2° |
| C6 | C5 | H2 | H3 | 117.9° | 120.0° |
| C5 | C6 | H4 | H5 | 119.9° | 120.4° |
| C1 | C6 | C5 | C4 | 55.9° | 54.6° |
| C6 | C1 | O4 | C2 | 175.7° | 179.9° |
| C6 | C1 | C2 | C3 | 13.7° | 51.2° |
| C6 | C1 | C2 | C16 | 142.8° | 171.0° |
| C6 | C1 | C2 | H1 | 103.2° | 68.7° |
| C1 | C6 | C5 | H2 | 176.6° | 65.4° |
| C1 | C6 | C5 | H3 | 64.8° | 174.6° |
| C1 | C6 | H4 | H5 | 120.0° | 120.6° |
| C5 | C4 | C14 | C3 | 121.1° | 120.4° |
| C5 | C4 | C14 | O1 | 13.1° | 120.3° |
| C5 | C4 | C14 | O | 170.2° | 59.6° |
| C5 | C4 | C3 | C2 | 32.3° | 63.6° |
| C4 | C5 | H2 | H3 | 117.9° | 120.0° |
| C4 | C5 | C6 | H4 | 175.9° | 174.4° |
| C4 | C5 | C6 | H5 | 64.1° | 65.1° |
| C5 | C4 | C7 | H10 | 180.0° | 179.8° |
| C5 | C4 | C7 | H11 | 60.0° | 60.2° |
| C5 | C4 | C7 | H12 | 60.0° | 59.8° |
| C5 | C4 | C3 | H30 | 153.5° | 56.4° |
| C5 | C4 | C3 | H31 | 88.9° | 176.4° |
| C4 | C14 | O1 | O | 176.8° | 179.9° |
| C4 | C14 | O | C15 | 171.2° | 180.0° |
| C14 | C4 | C3 | C2 | 149.4° | 176.2° |
| C14 | C4 | C5 | H2 | 63.4° | 63.8° |
| C14 | C4 | C5 | H3 | 55.2° | 56.3° |
| C14 | C4 | C7 | H10 | 66.6° | 60.0° |
| C14 | C4 | C7 | H11 | 173.4° | 180.0° |
| C14 | C4 | C7 | H12 | 53.4° | 60.0° |
| C14 | C4 | C3 | H30 | 89.3° | 63.8° |
| C14 | C4 | C3 | H31 | 28.2° | 56.3° |
| C4 | C3 | C2 | C1 | 11.8° | 54.5° |
| C3 | C4 | C14 | O1 | 108.0° | 0.1° |
| C3 | C4 | C14 | O | 68.7° | 180.0° |
| C4 | C3 | C2 | H30 | 121.2° | 120.0° |
| C4 | C3 | C2 | H31 | 121.2° | 120.0° |
| C4 | C3 | C2 | C16 | 139.2° | 174.3° |
| C4 | C3 | C2 | H1 | 105.4° | 65.3° |
| C3 | C4 | C5 | H2 | 176.6° | 56.4° |
| C3 | C4 | C5 | H3 | 64.8° | 176.4° |
| C3 | C4 | C7 | H10 | 56.3° | 59.9° |
| C3 | C4 | C7 | H11 | 63.7° | 60.1° |
| C3 | C4 | C7 | H12 | 176.3° | 179.9° |
| C4 | C3 | H30 | H31 | 116.0° | 120.1° |
| O4 | C1 | C2 | C3 | 170.9° | 128.7° |
| O4 | C1 | C2 | C16 | 41.8° | 8.8° |
| O4 | C1 | C2 | H1 | 72.2° | 111.5° |
| O4 | C1 | C6 | H4 | 29.7° | 9.0° |
| O4 | C1 | C6 | H5 | 90.3° | 111.6° |
| C1 | C2 | C3 | C16 | 127.4° | 119.8° |
| C1 | C2 | C3 | H1 | 117.2° | 119.8° |
| C1 | C2 | C16 | H1 | 114.1° | 120.3° |
| C1 | C2 | C16 | O2 | 99.2° | 119.6° |
| C1 | C2 | C16 | N2 | 80.5° | 60.3° |
| C2 | C1 | C6 | H4 | 154.8° | 170.9° |
| C2 | C1 | C6 | H5 | 85.2° | 68.5° |
| C1 | C2 | C3 | H30 | 133.0° | 65.5° |
| C1 | C2 | C3 | H31 | 109.4° | 174.5° |
| O1 | C14 | O | C15 | 12.1° | 0.1° |
| C14 | O | C15 | H13 | 180.0° | 180.0° |
| C14 | O | C15 | H14 | 60.0° | 60.0° |
| C14 | O | C15 | H15 | 60.0° | 60.0° |
| O | C15 | H13 | H14 | 120.0° | 120.0° |
| O | C15 | H13 | H15 | 120.0° | 119.9° |
| O | C15 | H14 | H15 | 120.0° | 120.0° |
| C3 | C2 | C16 | H1 | 115.1° | 120.5° |
| C3 | C2 | C16 | O2 | 130.0° | 0.4° |
| C3 | C2 | C16 | N2 | 50.3° | 179.6° |
| C2 | C3 | H30 | H31 | 116.1° | 120.0° |
| C2 | C16 | O2 | N2 | 179.7° | 180.0° |
| C2 | C16 | N2 | C10 | 157.0° | 180.0° |
| C16 | C2 | C3 | H30 | 99.5° | 54.3° |
| C16 | C2 | C3 | H31 | 18.0° | 65.7° |
| C2 | C16 | N2 | H32 | 23.0° | 0.0° |
| O2 | C16 | N2 | C10 | 22.7° | 0.0° |
| O2 | C16 | C2 | H1 | 14.9° | 120.1° |
| O2 | C16 | N2 | H32 | 157.3° | 180.0° |
| C16 | N2 | C10 | H32 | 180.0° | 180.0° |
| C16 | N2 | C10 | C17 | 19.2° | 180.0° |
| N2 | C16 | C2 | H1 | 165.4° | 60.0° |
| C16 | N2 | C10 | H16 | 101.9° | 60.0° |
| C16 | N2 | C10 | H17 | 140.4° | 60.0° |
| N2 | C10 | C17 | C18 | 99.3° | 90.3° |
| N2 | C10 | C17 | H16 | 121.1° | 120.0° |
| N2 | C10 | C17 | H17 | 121.1° | 120.0° |
| N2 | C10 | C17 | C22 | 79.7° | 89.9° |
| N2 | C10 | H16 | H17 | 116.5° | 120.0° |
| N44 | C43 | C42 | H28 | 180.0° | 179.7° |
| N44 | C43 | C42 | C41 | 0.1° | 0.0° |
| C43 | N44 | C45 | C40 | 1.4° | 0.5° |
| N44 | C43 | C42 | H27 | 179.9° | 180.0° |
| C43 | N44 | C45 | H29 | 178.5° | 179.8° |
| C42 | C43 | N44 | C45 | 0.4° | 0.2° |
| C43 | C42 | C41 | H27 | 180.0° | 180.0° |
| C43 | C42 | C41 | C40 | 0.3° | 0.0° |
| C43 | C42 | C41 | H26 | 179.8° | 180.0° |
| C19 | C18 | C17 | H6 | 180.0° | 180.0° |
| C18 | C19 | C20 | H7 | 180.0° | 180.0° |
| C19 | C18 | C17 | C10 | 179.8° | 179.8° |
| C19 | C18 | C17 | C22 | 0.7° | 0.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H8 | 179.9° | 179.9° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C10 | C22 | 179.0° | 179.8° |
| C18 | C17 | C22 | C21 | 1.0° | 0.1° |
| C17 | C18 | C19 | H7 | 179.7° | 180.0° |
| C18 | C17 | C10 | H16 | 139.6° | 29.8° |
| C18 | C17 | C10 | H17 | 21.8° | 149.7° |
| C18 | C17 | C22 | H18 | 179.0° | 180.0° |
| C19 | C20 | C21 | H8 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C19 | C20 | C21 | C23 | 179.8° | 180.0° |
| C20 | C19 | C18 | H6 | 179.7° | 180.0° |
| C10 | C17 | C22 | C21 | 179.9° | 179.7° |
| C10 | C17 | C18 | H6 | 0.2° | 0.3° |
| C17 | C10 | H16 | H17 | 116.4° | 119.9° |
| C10 | C17 | C22 | H18 | 0.1° | 0.2° |
| C17 | C10 | N2 | H32 | 160.7° | 0.0° |
| N44 | C45 | C40 | H29 | 180.0° | 179.8° |
| N44 | C45 | C40 | C41 | 1.8° | 0.4° |
| N44 | C45 | C40 | C37 | 179.4° | 179.7° |
| C45 | N44 | C43 | H28 | 179.6° | 180.0° |
| C17 | C22 | C21 | C20 | 0.9° | 0.1° |
| C17 | C22 | C21 | H18 | 180.0° | 179.9° |
| C17 | C22 | C21 | C23 | 179.4° | 180.0° |
| C22 | C17 | C18 | H6 | 179.3° | 180.0° |
| C22 | C17 | C10 | H16 | 41.4° | 150.0° |
| C22 | C17 | C10 | H17 | 159.1° | 30.1° |
| C42 | C41 | C40 | C45 | 1.2° | 0.2° |
| C42 | C41 | C40 | H26 | 180.0° | 180.0° |
| C42 | C41 | C40 | C37 | 178.8° | 180.0° |
| C41 | C42 | C43 | H28 | 179.9° | 179.7° |
| C20 | C21 | C22 | C23 | 179.7° | 179.9° |
| C20 | C21 | C23 | O24 | 4.5° | 180.0° |
| C20 | C21 | C23 | N25 | 176.3° | 0.0° |
| C21 | C20 | C19 | H7 | 179.9° | 180.0° |
| C20 | C21 | C22 | H18 | 179.1° | 180.0° |
| C22 | C21 | C23 | O24 | 175.3° | 0.1° |
| C22 | C21 | C23 | N25 | 4.0° | 180.0° |
| C22 | C21 | C20 | H8 | 179.5° | 180.0° |
| C21 | C23 | O24 | N25 | 179.2° | 180.0° |
| C21 | C23 | N25 | C26 | 179.4° | 176.0° |
| C23 | C21 | C20 | H8 | 0.2° | 0.1° |
| C23 | C21 | C22 | H18 | 0.6° | 0.1° |
| C21 | C23 | N25 | H33 | 0.6° | 4.0° |
| C45 | C40 | C41 | C37 | 177.6° | 179.8° |
| C45 | C40 | C37 | N38 | 11.7° | 179.8° |
| C45 | C40 | C37 | C36 | 166.5° | 0.2° |
| C45 | C40 | C41 | H26 | 178.8° | 179.8° |
| C41 | C40 | C37 | N38 | 165.8° | 0.1° |
| C41 | C40 | C37 | C36 | 16.0° | 179.9° |
| C40 | C41 | C42 | H27 | 179.7° | 180.0° |
| C41 | C40 | C45 | H29 | 178.2° | 179.8° |
| O24 | C23 | N25 | C26 | 1.4° | 4.0° |
| O24 | C23 | N25 | H33 | 178.6° | 175.9° |
| C23 | N25 | C26 | H33 | 180.0° | 180.0° |
| C23 | N25 | C26 | C27 | 132.6° | 35.5° |
| C23 | N25 | C26 | C31 | 43.4° | 144.8° |
| C40 | C37 | N38 | C36 | 178.1° | 180.0° |
| C40 | C37 | N38 | C33 | 178.2° | 179.9° |
| C40 | C37 | C36 | C35 | 179.5° | 179.8° |
| C40 | C37 | C36 | H22 | 0.4° | 0.0° |
| C37 | C40 | C41 | H26 | 1.2° | 0.0° |
| C37 | C40 | C45 | H29 | 0.6° | 0.0° |
| N25 | C26 | C27 | C31 | 176.1° | 179.7° |
| N25 | C26 | C27 | C28 | 178.8° | 179.8° |
| N25 | C26 | C31 | C30 | 178.3° | 179.8° |
| N25 | C26 | C27 | H9 | 1.2° | 0.3° |
| N25 | C26 | C31 | H20 | 1.7° | 0.3° |
| C26 | C27 | C28 | H9 | 180.0° | 179.9° |
| C26 | C27 | C28 | C39 | 178.7° | 180.0° |
| C26 | C27 | C28 | C29 | 1.2° | 0.1° |
| C27 | C26 | C31 | C30 | 2.2° | 0.0° |
| C27 | C26 | C31 | H20 | 177.8° | 180.0° |
| C27 | C26 | N25 | H33 | 47.4° | 144.5° |
| C28 | C27 | C26 | C31 | 2.7° | 0.0° |
| C27 | C28 | C39 | C29 | 179.9° | 180.0° |
| C27 | C28 | C29 | C30 | 0.7° | 0.1° |
| C27 | C28 | C29 | N32 | 179.2° | 180.0° |
| C27 | C28 | C39 | H23 | 90.0° | 90.0° |
| C27 | C28 | C39 | H24 | 150.0° | 150.0° |
| C27 | C28 | C39 | H25 | 30.0° | 30.0° |
| C26 | C31 | C30 | H20 | 180.0° | 180.0° |
| C26 | C31 | C30 | C29 | 0.4° | 0.1° |
| C31 | C26 | C27 | H9 | 177.4° | 180.0° |
| C26 | C31 | C30 | H19 | 179.6° | 180.0° |
| C31 | C26 | N25 | H33 | 136.6° | 35.3° |
| C39 | C28 | C29 | C30 | 179.4° | 180.0° |
| C39 | C28 | C29 | N32 | 0.8° | 0.1° |
| C39 | C28 | C27 | H9 | 1.2° | 0.1° |
| C28 | C39 | H23 | H24 | 120.0° | 120.0° |
| C28 | C39 | H23 | H25 | 120.0° | 120.0° |
| C28 | C39 | H24 | H25 | 120.0° | 120.0° |
| N38 | C37 | C36 | C35 | 1.4° | 0.2° |
| C37 | N38 | C33 | N32 | 176.4° | 180.0° |
| C37 | N38 | C33 | N34 | 2.3° | 0.3° |
| N38 | C37 | C36 | H22 | 178.6° | 180.0° |
| C36 | C37 | N38 | C33 | 0.1° | 0.1° |
| C37 | C36 | C35 | H22 | 180.0° | 179.8° |
| C37 | C36 | C35 | N34 | 0.3° | 0.3° |
| C37 | C36 | C35 | H21 | 179.7° | 179.8° |
| C28 | C29 | C30 | C31 | 1.1° | 0.1° |
| C28 | C29 | C30 | N32 | 179.9° | 179.9° |
| C28 | C29 | N32 | C33 | 34.1° | 145.2° |
| C29 | C28 | C27 | H9 | 178.8° | 180.0° |
| C28 | C29 | C30 | H19 | 178.9° | 180.0° |
| C29 | C28 | C39 | H23 | 90.0° | 90.0° |
| C29 | C28 | C39 | H24 | 30.0° | 30.1° |
| C29 | C28 | C39 | H25 | 150.0° | 150.0° |
| C28 | C29 | N32 | H34 | 145.9° | 34.8° |
| N38 | C33 | N32 | C29 | 44.4° | 175.9° |
| N38 | C33 | N32 | N34 | 174.5° | 179.6° |
| N38 | C33 | N34 | C35 | 3.4° | 0.3° |
| N38 | C33 | N32 | H34 | 135.7° | 4.1° |
| C31 | C30 | C29 | H19 | 180.0° | 179.9° |
| C31 | C30 | C29 | N32 | 178.8° | 180.0° |
| C36 | C35 | N34 | C33 | 2.0° | 0.0° |
| C36 | C35 | N34 | H21 | 180.0° | 180.0° |
| C30 | C29 | N32 | C33 | 146.1° | 34.7° |
| C29 | C30 | C31 | H20 | 179.6° | 180.0° |
| C30 | C29 | N32 | H34 | 33.9° | 145.3° |
| C29 | N32 | C33 | H34 | 180.0° | 179.9° |
| C29 | N32 | C33 | N34 | 130.1° | 3.7° |
| N32 | C29 | C30 | H19 | 1.3° | 0.1° |
| N32 | C33 | N34 | C35 | 178.0° | 179.9° |
| C33 | N34 | C35 | H21 | 178.0° | 180.0° |
| N34 | C33 | N32 | H34 | 49.9° | 176.2° |
| N34 | C35 | C36 | H22 | 179.6° | 179.9° |
| H1 | C2 | C3 | H30 | 15.8° | 174.7° |
| H1 | C2 | C3 | H31 | 133.4° | 54.7° |
| H2 | C5 | C6 | H4 | 63.4° | 54.4° |
| H2 | C5 | C6 | H5 | 56.6° | 174.9° |
| H3 | C5 | C6 | H4 | 55.2° | 65.7° |
| H3 | C5 | C6 | H5 | 175.2° | 54.8° |
| H6 | C18 | C19 | H7 | 0.3° | 0.0° |
| H7 | C19 | C20 | H8 | 0.1° | 0.1° |
| H10 | C7 | H11 | H12 | 120.0° | 120.1° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
| H16 | C10 | N2 | H32 | 78.1° | 120.0° |
| H17 | C10 | N2 | H32 | 39.6° | 120.0° |
| H19 | C30 | C31 | H20 | 0.3° | 0.1° |
| H21 | C35 | C36 | H22 | 0.3° | 0.0° |
| H23 | C39 | H24 | H25 | 120.0° | 120.0° |
| H26 | C41 | C42 | H27 | 0.2° | 0.0° |
| H27 | C42 | C43 | H28 | 0.1° | 0.3° |
