A1AEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O21 | C20 | doub | 1.22Å | 1.23Å | |
| C20 | C19 | sing | 1.40Å | 1.40Å | |
| C20 | N15 | sing | 1.35Å | 1.35Å | |
| C19 | C18 | doub | 1.36Å | 1.37Å | |
| C13 | N15 | sing | 1.47Å | 1.47Å | |
| C13 | N24 | sing | 1.47Å | 1.47Å | |
| C13 | C3 | sing | 1.51Å | 1.50Å | |
| O26 | C25 | doub | 1.21Å | 1.21Å | |
| N15 | C16 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| O8 | C7 | sing | 1.36Å | 1.37Å | |
| O8 | C9 | sing | 1.43Å | 1.44Å | |
| C18 | C17 | sing | 1.40Å | 1.40Å | |
| C25 | N24 | sing | 1.35Å | 1.34Å | |
| C25 | C27 | sing | 1.51Å | 1.50Å | |
| N24 | C22 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | doub | 1.36Å | 1.36Å | |
| C16 | C22 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| C22 | C45 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| O28 | C29 | sing | 1.36Å | 1.35Å | |
| C29 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| C29 | N38 | sing | 1.32Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | N10 | sing | 1.48Å | 1.46Å | |
| N38 | C37 | doub | 1.34Å | 1.34Å | Aromatic |
| C31 | C32 | doub | 1.41Å | 1.42Å | Aromatic |
| N10 | O12 | sing | 1.22Å | 1.21Å | |
| N10 | O11 | doub | 1.22Å | 1.22Å | |
| C37 | C32 | sing | 1.42Å | 1.43Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C39 | C36 | sing | 1.51Å | 1.51Å | |
| C39 | C40 | sing | 1.51Å | 1.50Å | |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | O42 | doub | 1.21Å | 1.34Å | |
| C40 | O41 | sing | 1.34Å | 1.22Å | |
| C33 | C34 | doub | 1.36Å | 1.36Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | O43 | sing | 1.36Å | 1.36Å | |
| O43 | C44 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C33 | H13 | sing | 1.08Å | 1.08Å | |
| C34 | H15 | sing | 1.08Å | 1.08Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| C44 | H18 | sing | 1.09Å | 1.10Å | |
| C44 | H19 | sing | 1.09Å | 1.10Å | |
| C44 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| C45 | H22 | sing | 1.09Å | 1.10Å | |
| C45 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| O41 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 123.2° | 120.1° |
| C1 | C2 | C7 | 116.5° | 120.0° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| O21 | C20 | C19 | 121.2° | 119.8° |
| O21 | C20 | N15 | 119.5° | 119.8° |
| C19 | C20 | N15 | 119.3° | 120.4° |
| C20 | C19 | C18 | 120.3° | 119.2° |
| C20 | C19 | H8 | 119.9° | 120.3° |
| C20 | N15 | C13 | 128.0° | 129.8° |
| C20 | N15 | C16 | 120.7° | 120.3° |
| C19 | C18 | C17 | 119.2° | 119.1° |
| C19 | C18 | H7 | 120.4° | 120.4° |
| C18 | C19 | H8 | 119.9° | 120.4° |
| N15 | C13 | N24 | 105.8° | 108.3° |
| N15 | C13 | C3 | 114.6° | 109.7° |
| C13 | N15 | C16 | 111.2° | 109.9° |
| N15 | C13 | H14 | 107.3° | 109.7° |
| N24 | C13 | C3 | 114.4° | 109.7° |
| C13 | N24 | C25 | 125.1° | 126.9° |
| C13 | N24 | C22 | 108.4° | 106.2° |
| N24 | C13 | H14 | 107.3° | 109.7° |
| C13 | C3 | C2 | 122.0° | 120.0° |
| C13 | C3 | C4 | 118.1° | 120.0° |
| C3 | C13 | H14 | 107.0° | 109.7° |
| O26 | C25 | N24 | 119.5° | 120.0° |
| O26 | C25 | C27 | 120.9° | 120.0° |
| N15 | C16 | C17 | 121.3° | 120.7° |
| N15 | C16 | C22 | 109.0° | 109.0° |
| C3 | C2 | C7 | 120.3° | 119.9° |
| C2 | C3 | C4 | 119.9° | 120.1° |
| C2 | C7 | O8 | 121.3° | 120.1° |
| C2 | C7 | C6 | 119.2° | 119.8° |
| C7 | O8 | C9 | 117.2° | 117.0° |
| O8 | C7 | C6 | 119.5° | 120.1° |
| O8 | C9 | H25 | 109.5° | 109.4° |
| O8 | C9 | H26 | 109.5° | 109.5° |
| O8 | C9 | H27 | 109.5° | 109.4° |
| C18 | C17 | C16 | 119.2° | 120.2° |
| C18 | C17 | H3 | 120.4° | 119.9° |
| C17 | C18 | H7 | 120.4° | 120.5° |
| N24 | C25 | C27 | 119.6° | 120.0° |
| C25 | N24 | C22 | 126.4° | 126.9° |
| C25 | C27 | O28 | 109.6° | 109.5° |
| C25 | C27 | H9 | 109.4° | 109.5° |
| C25 | C27 | H10 | 109.4° | 109.4° |
| N24 | C22 | C16 | 105.3° | 106.7° |
| N24 | C22 | C45 | 114.6° | 110.0° |
| N24 | C22 | H23 | 110.2° | 110.1° |
| C17 | C16 | C22 | 129.8° | 130.3° |
| C16 | C17 | H3 | 120.4° | 119.9° |
| C16 | C22 | C45 | 107.7° | 110.0° |
| C16 | C22 | H23 | 109.6° | 110.0° |
| C3 | C4 | C5 | 119.0° | 120.1° |
| C3 | C4 | H1 | 120.5° | 120.0° |
| C27 | O28 | C29 | 119.4° | 117.0° |
| O28 | C27 | H9 | 109.4° | 109.5° |
| O28 | C27 | H10 | 109.4° | 109.5° |
| C45 | C22 | H23 | 109.2° | 110.0° |
| C22 | C45 | H21 | 109.5° | 109.5° |
| C22 | C45 | H22 | 109.5° | 109.5° |
| C22 | C45 | H24 | 109.5° | 109.5° |
| C7 | C6 | C5 | 119.2° | 120.0° |
| C7 | C6 | H2 | 120.4° | 120.0° |
| O28 | C29 | C30 | 117.4° | 119.2° |
| O28 | C29 | N38 | 119.9° | 119.2° |
| C30 | C29 | N38 | 122.7° | 121.6° |
| C29 | C30 | C31 | 119.7° | 119.9° |
| C29 | C30 | H11 | 120.2° | 120.1° |
| C29 | N38 | C37 | 120.7° | 121.2° |
| C4 | C5 | C6 | 122.4° | 120.0° |
| C4 | C5 | N10 | 118.0° | 120.0° |
| C5 | C4 | H1 | 120.5° | 119.9° |
| C30 | C31 | C32 | 117.4° | 118.3° |
| C31 | C30 | H11 | 120.2° | 120.0° |
| C30 | C31 | H12 | 121.3° | 120.9° |
| C6 | C5 | N10 | 119.6° | 120.0° |
| C5 | C6 | H2 | 120.4° | 120.0° |
| C5 | N10 | O12 | 118.7° | 120.1° |
| C5 | N10 | O11 | 120.4° | 120.0° |
| N38 | C37 | C32 | 119.2° | 119.9° |
| N38 | C37 | C36 | 120.9° | 120.9° |
| C31 | C32 | C37 | 120.3° | 119.0° |
| C31 | C32 | C33 | 120.5° | 121.2° |
| C32 | C31 | H12 | 121.3° | 120.8° |
| O12 | N10 | O11 | 120.9° | 120.0° |
| C32 | C37 | C36 | 119.9° | 119.2° |
| C37 | C32 | C33 | 119.2° | 119.8° |
| C37 | C36 | C39 | 118.8° | 120.2° |
| C37 | C36 | C35 | 119.0° | 119.6° |
| C32 | C33 | C34 | 119.6° | 119.9° |
| C32 | C33 | H13 | 120.2° | 120.1° |
| C36 | C39 | C40 | 110.7° | 109.5° |
| C39 | C36 | C35 | 122.2° | 120.2° |
| C36 | C39 | H16 | 109.2° | 109.5° |
| C36 | C39 | H17 | 109.2° | 109.4° |
| C39 | C40 | O42 | 118.0° | 119.9° |
| C39 | C40 | O41 | 120.4° | 120.1° |
| C40 | C39 | H16 | 109.2° | 109.5° |
| C40 | C39 | H17 | 109.2° | 109.4° |
| C36 | C35 | C34 | 120.4° | 120.7° |
| C36 | C35 | O43 | 122.1° | 119.6° |
| O42 | C40 | O41 | 121.6° | 120.0° |
| C40 | O41 | H28 | 109.5° | 117.0° |
| C33 | C34 | C35 | 121.9° | 120.8° |
| C34 | C33 | H13 | 120.2° | 120.1° |
| C33 | C34 | H15 | 119.0° | 119.6° |
| C34 | C35 | O43 | 117.5° | 119.6° |
| C35 | C34 | H15 | 119.0° | 119.6° |
| C35 | O43 | C44 | 116.3° | 117.0° |
| O43 | C44 | H18 | 109.5° | 109.5° |
| O43 | C44 | H19 | 109.4° | 109.5° |
| O43 | C44 | H20 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H4 | C1 | H6 | 109.5° | 109.4° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H16 | C39 | H17 | 109.4° | 109.5° |
| H18 | C44 | H19 | 109.4° | 109.5° |
| H18 | C44 | H20 | 109.5° | 109.4° |
| H19 | C44 | H20 | 109.5° | 109.5° |
| H21 | C45 | H22 | 109.5° | 109.5° |
| H21 | C45 | H24 | 109.5° | 109.5° |
| H22 | C45 | H24 | 109.5° | 109.4° |
| H25 | C9 | H26 | 109.5° | 109.5° |
| H25 | C9 | H27 | 109.5° | 109.5° |
| H26 | C9 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C13 | 1.1° | 0.0° |
| C1 | C2 | C3 | C7 | 179.1° | 179.5° |
| C1 | C2 | C7 | O8 | 1.1° | 0.3° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| C1 | C2 | C7 | C6 | 179.8° | 179.7° |
| C2 | C1 | H4 | H5 | 120.0° | 120.1° |
| C2 | C1 | H4 | H6 | 120.0° | 119.9° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| O21 | C20 | C19 | N15 | 179.6° | 180.0° |
| O21 | C20 | C19 | C18 | 179.3° | 180.0° |
| O21 | C20 | N15 | C13 | 0.6° | 0.0° |
| O21 | C20 | N15 | C16 | 179.4° | 179.9° |
| O21 | C20 | C19 | H8 | 0.7° | 0.0° |
| C20 | C19 | C18 | H8 | 180.0° | 180.0° |
| C19 | C20 | N15 | C13 | 179.8° | 180.0° |
| C19 | C20 | N15 | C16 | 1.0° | 0.1° |
| C20 | C19 | C18 | C17 | 0.7° | 0.0° |
| C20 | C19 | C18 | H7 | 179.3° | 180.0° |
| N15 | C20 | C19 | C18 | 0.3° | 0.0° |
| C20 | N15 | C13 | C16 | 178.9° | 180.0° |
| C20 | N15 | C13 | N24 | 176.2° | 180.0° |
| C20 | N15 | C13 | C3 | 56.8° | 60.3° |
| C20 | N15 | C16 | C17 | 1.9° | 0.1° |
| C20 | N15 | C16 | C22 | 179.0° | 180.0° |
| C20 | N15 | C13 | H14 | 61.9° | 60.3° |
| N15 | C20 | C19 | H8 | 179.7° | 180.0° |
| C19 | C18 | C17 | H7 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C19 | C18 | C17 | H3 | 179.8° | 180.0° |
| N15 | C13 | N24 | C3 | 127.2° | 119.7° |
| N15 | C13 | N24 | H14 | 114.4° | 119.7° |
| N15 | C13 | C3 | H14 | 118.9° | 120.6° |
| N15 | C13 | C3 | C2 | 114.9° | 33.9° |
| N15 | C13 | N24 | C25 | 172.2° | 180.0° |
| N15 | C13 | N24 | C22 | 4.4° | 0.0° |
| C13 | N15 | C16 | C17 | 179.1° | 180.0° |
| C13 | N15 | C16 | C22 | 0.0° | 0.0° |
| N15 | C13 | C3 | C4 | 65.8° | 146.1° |
| N24 | C13 | C3 | H14 | 118.6° | 120.6° |
| C13 | N24 | C25 | O26 | 3.2° | 4.8° |
| N24 | C13 | N15 | C16 | 2.7° | 0.0° |
| N24 | C13 | C3 | C2 | 122.6° | 84.9° |
| C13 | N24 | C25 | C22 | 176.1° | 180.0° |
| C13 | N24 | C25 | C27 | 176.2° | 175.2° |
| C13 | N24 | C22 | C16 | 4.4° | 0.0° |
| N24 | C13 | C3 | C4 | 56.7° | 95.1° |
| C13 | N24 | C22 | C45 | 113.7° | 119.3° |
| C13 | N24 | C22 | H23 | 122.6° | 119.3° |
| C3 | C13 | N15 | C16 | 124.3° | 119.7° |
| C13 | C3 | C2 | C4 | 179.3° | 180.0° |
| C13 | C3 | C2 | C7 | 179.9° | 179.5° |
| C3 | C13 | N24 | C25 | 60.6° | 60.3° |
| C3 | C13 | N24 | C22 | 122.7° | 119.7° |
| C13 | C3 | C4 | C5 | 179.9° | 179.5° |
| C13 | C3 | C4 | H1 | 0.1° | 0.3° |
| O26 | C25 | N24 | C27 | 179.4° | 180.0° |
| O26 | C25 | N24 | C22 | 179.3° | 175.2° |
| O26 | C25 | C27 | O28 | 12.6° | 6.8° |
| O26 | C25 | C27 | H9 | 132.6° | 113.2° |
| O26 | C25 | C27 | H10 | 107.4° | 126.8° |
| N15 | C16 | C17 | C18 | 1.4° | 0.0° |
| N15 | C16 | C22 | N24 | 2.8° | 0.1° |
| N15 | C16 | C17 | C22 | 178.9° | 179.9° |
| N15 | C16 | C22 | C45 | 119.9° | 119.3° |
| C16 | N15 | C13 | H14 | 117.0° | 119.7° |
| N15 | C16 | C17 | H3 | 178.6° | 180.0° |
| N15 | C16 | C22 | H23 | 121.3° | 119.4° |
| C3 | C2 | C7 | O8 | 179.8° | 179.8° |
| C3 | C2 | C7 | C6 | 0.7° | 0.2° |
| C2 | C3 | C4 | C5 | 0.6° | 0.5° |
| C2 | C3 | C4 | H1 | 179.4° | 179.7° |
| C2 | C3 | C13 | H14 | 4.0° | 154.5° |
| C3 | C2 | C1 | H4 | 89.5° | 71.6° |
| C3 | C2 | C1 | H5 | 150.5° | 168.4° |
| C3 | C2 | C1 | H6 | 30.5° | 48.3° |
| C2 | C7 | O8 | C6 | 179.1° | 180.0° |
| C2 | C7 | O8 | C9 | 155.1° | 180.0° |
| C7 | C2 | C3 | C4 | 0.6° | 0.5° |
| C2 | C7 | C6 | C5 | 0.8° | 0.0° |
| C2 | C7 | C6 | H2 | 179.1° | 180.0° |
| C7 | C2 | C1 | H4 | 89.6° | 108.9° |
| C7 | C2 | C1 | H5 | 30.4° | 11.1° |
| C7 | C2 | C1 | H6 | 150.4° | 131.2° |
| O8 | C7 | C6 | C5 | 179.9° | 180.0° |
| O8 | C7 | C6 | H2 | 0.0° | 0.0° |
| C7 | O8 | C9 | H25 | 180.0° | 60.0° |
| C7 | O8 | C9 | H26 | 60.0° | 60.0° |
| C7 | O8 | C9 | H27 | 60.0° | 180.0° |
| C9 | O8 | C7 | C6 | 24.0° | 0.0° |
| O8 | C9 | H25 | H26 | 120.0° | 120.0° |
| O8 | C9 | H25 | H27 | 120.0° | 119.9° |
| O8 | C9 | H26 | H27 | 120.0° | 120.0° |
| C18 | C17 | C16 | H3 | 180.0° | 180.0° |
| C18 | C17 | C16 | C22 | 179.7° | 179.9° |
| C17 | C18 | C19 | H8 | 179.3° | 180.0° |
| C25 | N24 | C22 | C16 | 172.2° | 180.0° |
| N24 | C25 | C27 | O28 | 168.0° | 173.2° |
| C25 | N24 | C22 | C45 | 69.6° | 60.7° |
| C25 | N24 | C13 | H14 | 57.9° | 60.3° |
| C25 | N24 | C22 | H23 | 54.0° | 60.7° |
| N24 | C25 | C27 | H9 | 48.0° | 66.8° |
| N24 | C25 | C27 | H10 | 72.0° | 53.2° |
| C27 | C25 | N24 | C22 | 0.1° | 4.8° |
| C25 | C27 | O28 | H9 | 120.0° | 120.1° |
| C25 | C27 | O28 | H10 | 120.0° | 119.9° |
| C25 | C27 | O28 | C29 | 87.9° | 180.0° |
| C25 | C27 | H9 | H10 | 119.9° | 119.9° |
| N24 | C22 | C16 | C17 | 178.2° | 180.0° |
| N24 | C22 | C16 | C45 | 122.7° | 119.4° |
| N24 | C22 | C16 | H23 | 118.5° | 119.4° |
| N24 | C22 | C45 | H23 | 124.2° | 121.4° |
| C22 | N24 | C13 | H14 | 118.8° | 119.7° |
| N24 | C22 | C45 | H21 | 180.0° | 158.2° |
| N24 | C22 | C45 | H22 | 60.0° | 81.8° |
| N24 | C22 | C45 | H24 | 60.0° | 38.1° |
| C17 | C16 | C22 | C45 | 59.1° | 60.6° |
| C17 | C16 | C22 | H23 | 59.7° | 60.7° |
| C16 | C17 | C18 | H7 | 179.8° | 180.0° |
| C16 | C22 | C45 | H23 | 119.0° | 121.3° |
| C22 | C16 | C17 | H3 | 0.3° | 0.1° |
| C16 | C22 | C45 | H21 | 63.2° | 40.9° |
| C16 | C22 | C45 | H22 | 176.8° | 160.9° |
| C16 | C22 | C45 | H24 | 56.8° | 79.2° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.7° | 0.2° |
| C3 | C4 | C5 | N10 | 178.7° | 179.8° |
| C4 | C3 | C13 | H14 | 175.3° | 25.5° |
| C27 | O28 | C29 | C30 | 176.9° | 180.0° |
| C27 | O28 | C29 | N38 | 0.9° | 0.2° |
| O28 | C27 | H9 | H10 | 119.9° | 120.0° |
| C22 | C45 | H21 | H22 | 120.0° | 120.0° |
| C22 | C45 | H21 | H24 | 120.0° | 120.0° |
| C22 | C45 | H22 | H24 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 0.9° | 0.0° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | N10 | 178.8° | 180.0° |
| O28 | C29 | C30 | N38 | 177.8° | 179.8° |
| O28 | C29 | C30 | C31 | 179.2° | 179.7° |
| O28 | C29 | N38 | C37 | 177.9° | 179.7° |
| C29 | O28 | C27 | H9 | 32.1° | 59.9° |
| C29 | O28 | C27 | H10 | 152.1° | 60.1° |
| O28 | C29 | C30 | H11 | 0.8° | 0.3° |
| C29 | C30 | C31 | H11 | 180.0° | 180.0° |
| C30 | C29 | N38 | C37 | 0.2° | 0.0° |
| C29 | C30 | C31 | C32 | 1.9° | 0.0° |
| C29 | C30 | C31 | H12 | 178.1° | 180.0° |
| N38 | C29 | C30 | C31 | 1.4° | 0.0° |
| C29 | N38 | C37 | C32 | 0.4° | 0.0° |
| C29 | N38 | C37 | C36 | 179.6° | 180.0° |
| N38 | C29 | C30 | H11 | 178.6° | 179.9° |
| C4 | C5 | C6 | N10 | 177.9° | 180.0° |
| C4 | C5 | N10 | O12 | 7.2° | 0.0° |
| C4 | C5 | N10 | O11 | 169.9° | 180.0° |
| C4 | C5 | C6 | H2 | 179.1° | 180.0° |
| C30 | C31 | C32 | H12 | 180.0° | 180.0° |
| C30 | C31 | C32 | C37 | 1.3° | 0.0° |
| C30 | C31 | C32 | C33 | 178.9° | 180.0° |
| C6 | C5 | N10 | O12 | 174.8° | 180.0° |
| C6 | C5 | N10 | O11 | 8.1° | 0.0° |
| C6 | C5 | C4 | H1 | 179.3° | 180.0° |
| C5 | N10 | O12 | O11 | 177.0° | 180.0° |
| N10 | C5 | C4 | H1 | 1.3° | 0.0° |
| N10 | C5 | C6 | H2 | 1.2° | 0.0° |
| N38 | C37 | C32 | C31 | 0.2° | 0.0° |
| N38 | C37 | C32 | C36 | 180.0° | 180.0° |
| N38 | C37 | C32 | C33 | 179.9° | 180.0° |
| N38 | C37 | C36 | C39 | 0.1° | 0.1° |
| N38 | C37 | C36 | C35 | 178.7° | 180.0° |
| C31 | C32 | C37 | C33 | 179.8° | 179.9° |
| C31 | C32 | C37 | C36 | 179.9° | 180.0° |
| C31 | C32 | C33 | C34 | 179.0° | 180.0° |
| C32 | C31 | C30 | H11 | 178.1° | 180.0° |
| C31 | C32 | C33 | H13 | 1.0° | 0.1° |
| C32 | C37 | C36 | C39 | 179.9° | 179.9° |
| C32 | C37 | C36 | C35 | 1.3° | 0.0° |
| C37 | C32 | C33 | C34 | 1.2° | 0.0° |
| C37 | C32 | C31 | H12 | 178.7° | 180.0° |
| C37 | C32 | C33 | H13 | 178.7° | 180.0° |
| C36 | C37 | C32 | C33 | 0.1° | 0.0° |
| C37 | C36 | C39 | C35 | 178.6° | 180.0° |
| C37 | C36 | C39 | C40 | 96.4° | 90.0° |
| C37 | C36 | C35 | C34 | 1.5° | 0.0° |
| C37 | C36 | C35 | O43 | 179.6° | 180.0° |
| C37 | C36 | C39 | H16 | 143.4° | 30.0° |
| C37 | C36 | C39 | H17 | 23.8° | 150.0° |
| C32 | C33 | C34 | H13 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 1.1° | 0.0° |
| C33 | C32 | C31 | H12 | 1.1° | 0.1° |
| C32 | C33 | C34 | H15 | 178.9° | 180.0° |
| C36 | C39 | C40 | H16 | 120.2° | 120.0° |
| C36 | C39 | C40 | H17 | 120.2° | 120.0° |
| C36 | C39 | C40 | O42 | 20.8° | 0.0° |
| C36 | C39 | C40 | O41 | 159.4° | 180.0° |
| C39 | C36 | C35 | C34 | 179.9° | 180.0° |
| C39 | C36 | C35 | O43 | 1.0° | 0.0° |
| C36 | C39 | H16 | H17 | 119.4° | 120.0° |
| C40 | C39 | C36 | C35 | 82.3° | 90.0° |
| C39 | C40 | O42 | O41 | 179.9° | 180.0° |
| C40 | C39 | H16 | H17 | 119.4° | 120.0° |
| C39 | C40 | O41 | H28 | 179.8° | 180.0° |
| C36 | C35 | C34 | C33 | 0.3° | 0.0° |
| C36 | C35 | C34 | O43 | 178.9° | 180.0° |
| C36 | C35 | O43 | C44 | 148.3° | 180.0° |
| C36 | C35 | C34 | H15 | 179.7° | 180.0° |
| C35 | C36 | C39 | H16 | 37.9° | 150.0° |
| C35 | C36 | C39 | H17 | 157.5° | 30.0° |
| O42 | C40 | C39 | H16 | 141.0° | 120.0° |
| O42 | C40 | C39 | H17 | 99.4° | 120.0° |
| O42 | C40 | O41 | H28 | 0.0° | 0.0° |
| O41 | C40 | C39 | H16 | 39.2° | 60.0° |
| O41 | C40 | C39 | H17 | 80.4° | 60.0° |
| C33 | C34 | C35 | H15 | 180.0° | 180.0° |
| C33 | C34 | C35 | O43 | 179.3° | 180.0° |
| C34 | C35 | O43 | C44 | 32.8° | 0.0° |
| C35 | C34 | C33 | H13 | 178.9° | 180.0° |
| O43 | C35 | C34 | H15 | 0.7° | 0.0° |
| C35 | O43 | C44 | H18 | 180.0° | 180.0° |
| C35 | O43 | C44 | H19 | 60.0° | 60.0° |
| C35 | O43 | C44 | H20 | 60.0° | 60.1° |
| O43 | C44 | H18 | H19 | 120.0° | 120.1° |
| O43 | C44 | H18 | H20 | 120.0° | 120.0° |
| O43 | C44 | H19 | H20 | 120.0° | 120.1° |
| H3 | C17 | C18 | H7 | 0.1° | 0.0° |
| H23 | C22 | C45 | H21 | 55.8° | 80.4° |
| H23 | C22 | C45 | H22 | 64.2° | 39.6° |
| H23 | C22 | C45 | H24 | 175.8° | 159.6° |
| H4 | C1 | H5 | H6 | 120.0° | 119.9° |
| H7 | C18 | C19 | H8 | 0.7° | 0.0° |
| H11 | C30 | C31 | H12 | 1.9° | 0.0° |
| H13 | C33 | C34 | H15 | 1.1° | 0.0° |
| H18 | C44 | H19 | H20 | 120.0° | 119.9° |
| H21 | C45 | H22 | H24 | 120.0° | 120.0° |
| H25 | C9 | H26 | H27 | 120.0° | 120.0° |
