A1AL3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | doub | 1.37Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.38Å | Aromatic |
| C5 | O2 | sing | 1.34Å | 1.36Å | Aromatic |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.54Å | 1.51Å | |
| C7 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.36Å | Aromatic |
| N4 | C17 | doub | 1.30Å | 1.32Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C25 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | O4 | sing | 1.43Å | 1.42Å | |
| O4 | C27 | sing | 1.43Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| N2 | C29 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.35Å | 1.37Å | Aromatic |
| N1 | C30 | sing | 1.47Å | 1.46Å | |
| C9 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| N5 | C28 | sing | 1.47Å | 1.46Å | |
| C12 | C18 | sing | 1.41Å | 1.43Å | Aromatic |
| C16 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.9° | 120.0° |
| O1 | C1 | N1 | 121.3° | 120.0° |
| C1 | C2 | C3 | 129.0° | 126.0° |
| C2 | C1 | N1 | 120.8° | 120.0° |
| C1 | C2 | O2 | 121.1° | 126.0° |
| C2 | C3 | C4 | 107.3° | 106.7° |
| C3 | C2 | O2 | 109.9° | 108.0° |
| C2 | C3 | H1 | 126.3° | 126.6° |
| C3 | C4 | C5 | 106.2° | 107.1° |
| C4 | C3 | H1 | 126.3° | 126.7° |
| C3 | C4 | H2 | 126.9° | 126.4° |
| C4 | C5 | O2 | 109.6° | 108.8° |
| C5 | C4 | H2 | 126.9° | 126.5° |
| C4 | C5 | H3 | 125.2° | 125.7° |
| C5 | O2 | C2 | 107.1° | 109.4° |
| O2 | C5 | H3 | 125.2° | 125.6° |
| C1 | N1 | C6 | 121.5° | 120.8° |
| C1 | N1 | C30 | 124.6° | 120.9° |
| N1 | C6 | C7 | 111.0° | 108.4° |
| C6 | N1 | C30 | 113.9° | 118.2° |
| N1 | C6 | H4 | 109.1° | 109.8° |
| N1 | C6 | H5 | 109.1° | 109.7° |
| C6 | C7 | N2 | 109.5° | 109.4° |
| C7 | C6 | H4 | 109.1° | 109.6° |
| C7 | C6 | H5 | 109.1° | 109.6° |
| C6 | C7 | H6 | 109.4° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C7 | N2 | C8 | 112.6° | 111.0° |
| C7 | N2 | C29 | 108.4° | 111.3° |
| N2 | C7 | H6 | 109.5° | 109.5° |
| N2 | C7 | H7 | 109.5° | 109.4° |
| N2 | C8 | C9 | 116.7° | 109.5° |
| C8 | N2 | C29 | 113.4° | 111.1° |
| N2 | C8 | H9 | 107.6° | 109.5° |
| N2 | C8 | H8 | 107.6° | 109.5° |
| C8 | C9 | C10 | 120.9° | 119.9° |
| C8 | C9 | C21 | 121.1° | 120.0° |
| C9 | C8 | H9 | 107.7° | 109.5° |
| C9 | C8 | H8 | 107.6° | 109.5° |
| C9 | C10 | C11 | 122.2° | 119.9° |
| C10 | C9 | C21 | 118.0° | 120.1° |
| C9 | C10 | H10 | 118.9° | 120.1° |
| C10 | C11 | C12 | 121.0° | 120.1° |
| C10 | C11 | C19 | 118.0° | 119.9° |
| C11 | C10 | H10 | 118.9° | 120.1° |
| C11 | C12 | C13 | 122.1° | 120.2° |
| C12 | C11 | C19 | 121.0° | 120.1° |
| C11 | C12 | C18 | 120.9° | 120.3° |
| C12 | C13 | C14 | 121.9° | 120.4° |
| C13 | C12 | C18 | 117.0° | 119.5° |
| C12 | C13 | H11 | 119.0° | 119.8° |
| C13 | C14 | C15 | 121.7° | 120.7° |
| C13 | C14 | H12 | 119.1° | 119.6° |
| C14 | C13 | H11 | 119.0° | 119.8° |
| C14 | C15 | C16 | 117.5° | 120.2° |
| C15 | C14 | H12 | 119.1° | 119.7° |
| C14 | C15 | H13 | 121.3° | 119.9° |
| C15 | C16 | N3 | 131.7° | 133.7° |
| C15 | C16 | C18 | 122.2° | 119.8° |
| C16 | C15 | H13 | 121.3° | 120.0° |
| C16 | N3 | N4 | 111.6° | 108.0° |
| N3 | C16 | C18 | 106.2° | 106.6° |
| C16 | N3 | H14 | 124.2° | 126.0° |
| N3 | N4 | C17 | 106.4° | 109.8° |
| N4 | N3 | H14 | 124.2° | 126.0° |
| N4 | C17 | C18 | 111.0° | 108.6° |
| N4 | C17 | H15 | 124.5° | 125.7° |
| C17 | C18 | C12 | 135.5° | 133.5° |
| C17 | C18 | C16 | 104.8° | 107.0° |
| C18 | C17 | H15 | 124.5° | 125.7° |
| C11 | C19 | C20 | 121.1° | 119.9° |
| C11 | C19 | H16 | 119.4° | 120.1° |
| C19 | C20 | C21 | 119.8° | 120.1° |
| C19 | C20 | H17 | 120.1° | 119.9° |
| C20 | C19 | H16 | 119.4° | 120.0° |
| C20 | C21 | O3 | 123.0° | 119.9° |
| C20 | C21 | C9 | 120.8° | 120.2° |
| C21 | C20 | H17 | 120.1° | 120.0° |
| C21 | O3 | C22 | 117.4° | 117.0° |
| O3 | C21 | C9 | 116.1° | 119.9° |
| O3 | C22 | C23 | 107.1° | 109.5° |
| O3 | C22 | H18 | 110.0° | 109.5° |
| O3 | C22 | H19 | 110.0° | 109.4° |
| C22 | C23 | C24 | 112.1° | 109.4° |
| C23 | C22 | H18 | 110.1° | 109.5° |
| C23 | C22 | H19 | 110.1° | 109.5° |
| C22 | C23 | H20 | 108.8° | 109.5° |
| C22 | C23 | H21 | 108.8° | 109.5° |
| C23 | C24 | N5 | 114.2° | 109.5° |
| C24 | C23 | H20 | 108.8° | 109.4° |
| C24 | C23 | H21 | 108.8° | 109.4° |
| C23 | C24 | H23 | 108.3° | 109.5° |
| C23 | C24 | H22 | 108.3° | 109.5° |
| C24 | N5 | C25 | 111.0° | 111.0° |
| C24 | N5 | C28 | 110.9° | 111.0° |
| N5 | C24 | H23 | 108.3° | 109.5° |
| N5 | C24 | H22 | 108.3° | 109.4° |
| N5 | C25 | C26 | 110.4° | 109.3° |
| C25 | N5 | C28 | 108.7° | 110.8° |
| N5 | C25 | H25 | 109.2° | 109.5° |
| N5 | C25 | H24 | 109.2° | 109.6° |
| C25 | C26 | O4 | 111.4° | 109.2° |
| C26 | C25 | H25 | 109.2° | 109.5° |
| C26 | C25 | H24 | 109.3° | 109.5° |
| C25 | C26 | H27 | 109.0° | 109.5° |
| C25 | C26 | H26 | 109.0° | 109.5° |
| C26 | O4 | C27 | 110.0° | 113.8° |
| O4 | C26 | H27 | 109.0° | 109.5° |
| O4 | C26 | H26 | 109.0° | 109.6° |
| O4 | C27 | C28 | 111.7° | 109.3° |
| O4 | C27 | H29 | 108.9° | 109.5° |
| O4 | C27 | H28 | 108.9° | 109.5° |
| C27 | C28 | N5 | 110.1° | 109.3° |
| C28 | C27 | H29 | 108.9° | 109.5° |
| C28 | C27 | H28 | 108.9° | 109.5° |
| C27 | C28 | H31 | 109.3° | 109.6° |
| C27 | C28 | H30 | 109.3° | 109.5° |
| N2 | C29 | C30 | 109.6° | 109.4° |
| N2 | C29 | H32 | 109.4° | 109.5° |
| N2 | C29 | H33 | 109.4° | 109.5° |
| C29 | C30 | N1 | 111.2° | 108.7° |
| C29 | C30 | H34 | 109.0° | 109.6° |
| C29 | C30 | H35 | 109.0° | 109.6° |
| C30 | C29 | H32 | 109.5° | 109.5° |
| C30 | C29 | H33 | 109.4° | 109.5° |
| N1 | C30 | H34 | 109.0° | 109.7° |
| N1 | C30 | H35 | 109.0° | 109.6° |
| N5 | C28 | H31 | 109.3° | 109.5° |
| N5 | C28 | H30 | 109.3° | 109.5° |
| C12 | C18 | C16 | 119.7° | 119.5° |
| H34 | C30 | H35 | 109.5° | 109.6° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H25 | C25 | H24 | 109.5° | 109.5° |
| H29 | C27 | H28 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H23 | C24 | H22 | 109.5° | 109.4° |
| H27 | C26 | H26 | 109.4° | 109.5° |
| H31 | C28 | H30 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.7° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H9 | C8 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 177.1° | 179.9° |
| O1 | C1 | C2 | C3 | 59.9° | 7.4° |
| O1 | C1 | N1 | C6 | 24.9° | 173.0° |
| O1 | C1 | C2 | O2 | 118.4° | 172.9° |
| O1 | C1 | N1 | C30 | 154.6° | 6.9° |
| C1 | C2 | C3 | O2 | 178.5° | 179.7° |
| C1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C1 | C2 | O2 | C5 | 179.4° | 179.9° |
| C2 | C1 | N1 | C6 | 152.2° | 7.1° |
| C2 | C1 | N1 | C30 | 28.4° | 173.0° |
| C1 | C2 | C3 | H1 | 0.8° | 0.1° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | O2 | C5 | 0.8° | 0.4° |
| C3 | C2 | C1 | N1 | 117.2° | 172.6° |
| C2 | C3 | C4 | H2 | 179.6° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | O2 | 0.1° | 0.2° |
| C4 | C3 | C2 | O2 | 0.7° | 0.3° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C4 | C5 | O2 | H3 | 180.0° | 179.7° |
| C4 | C5 | O2 | C2 | 0.6° | 0.4° |
| C5 | C4 | C3 | H1 | 179.6° | 180.0° |
| O2 | C5 | C4 | H2 | 179.9° | 179.8° |
| C1 | N1 | C6 | C30 | 179.5° | 179.9° |
| C1 | N1 | C6 | C7 | 129.5° | 128.9° |
| C1 | N1 | C30 | C29 | 129.9° | 128.7° |
| N1 | C1 | C2 | O2 | 64.5° | 7.1° |
| C1 | N1 | C30 | H34 | 109.8° | 111.5° |
| C1 | N1 | C30 | H35 | 9.7° | 8.8° |
| C1 | N1 | C6 | H4 | 110.2° | 9.2° |
| C1 | N1 | C6 | H5 | 9.3° | 111.4° |
| N1 | C6 | C7 | H4 | 120.2° | 119.9° |
| N1 | C6 | C7 | H5 | 120.2° | 119.7° |
| N1 | C6 | C7 | N2 | 56.7° | 53.6° |
| C6 | N1 | C30 | C29 | 49.5° | 51.3° |
| C6 | N1 | C30 | H34 | 70.7° | 68.6° |
| C6 | N1 | C30 | H35 | 169.8° | 171.1° |
| N1 | C6 | H4 | H5 | 119.3° | 120.6° |
| N1 | C6 | C7 | H6 | 176.7° | 173.6° |
| N1 | C6 | C7 | H7 | 63.3° | 66.3° |
| C6 | C7 | N2 | H6 | 120.0° | 120.0° |
| C6 | C7 | N2 | H7 | 120.0° | 120.0° |
| C6 | C7 | N2 | C8 | 169.8° | 172.7° |
| C6 | C7 | N2 | C29 | 63.9° | 62.9° |
| C7 | C6 | N1 | C30 | 50.0° | 51.0° |
| C7 | C6 | H4 | H5 | 119.3° | 120.3° |
| C6 | C7 | H6 | H7 | 120.0° | 120.1° |
| C7 | N2 | C8 | C29 | 123.5° | 124.4° |
| C7 | N2 | C8 | C9 | 85.4° | 170.0° |
| C7 | N2 | C29 | C30 | 63.4° | 63.0° |
| C7 | N2 | C29 | H32 | 176.5° | 57.0° |
| C7 | N2 | C29 | H33 | 56.6° | 176.9° |
| N2 | C7 | C6 | H4 | 63.5° | 173.5° |
| N2 | C7 | C6 | H5 | 176.9° | 66.1° |
| N2 | C7 | H6 | H7 | 120.0° | 119.9° |
| C7 | N2 | C8 | H9 | 153.5° | 70.0° |
| C7 | N2 | C8 | H8 | 35.6° | 49.9° |
| N2 | C8 | C9 | H9 | 121.0° | 120.0° |
| N2 | C8 | C9 | H8 | 121.0° | 120.1° |
| N2 | C8 | C9 | C10 | 92.2° | 100.0° |
| C8 | N2 | C29 | C30 | 170.8° | 172.7° |
| N2 | C8 | C9 | C21 | 91.7° | 80.0° |
| C8 | N2 | C29 | H32 | 50.7° | 67.3° |
| C8 | N2 | C29 | H33 | 69.2° | 52.6° |
| C8 | N2 | C7 | H6 | 49.8° | 52.7° |
| C8 | N2 | C7 | H7 | 70.2° | 67.3° |
| N2 | C8 | H9 | H8 | 116.7° | 120.0° |
| C8 | C9 | C10 | C21 | 176.2° | 180.0° |
| C8 | C9 | C10 | C11 | 178.8° | 180.0° |
| C8 | C9 | C21 | C20 | 178.2° | 179.7° |
| C8 | C9 | C21 | O3 | 1.9° | 0.3° |
| C9 | C8 | N2 | C29 | 38.1° | 65.6° |
| C8 | C9 | C10 | H10 | 1.2° | 0.0° |
| C9 | C8 | H9 | H8 | 116.7° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 179.4° | 180.0° |
| C9 | C10 | C11 | C19 | 1.8° | 0.2° |
| C10 | C9 | C21 | C20 | 2.0° | 0.3° |
| C10 | C9 | C21 | O3 | 178.1° | 179.7° |
| C10 | C9 | C8 | H9 | 28.8° | 20.0° |
| C10 | C9 | C8 | H8 | 146.7° | 139.9° |
| C10 | C11 | C12 | C19 | 178.8° | 179.8° |
| C10 | C11 | C12 | C13 | 55.5° | 50.2° |
| C10 | C11 | C19 | C20 | 0.4° | 0.2° |
| C11 | C10 | C9 | C21 | 2.6° | 0.0° |
| C10 | C11 | C12 | C18 | 123.0° | 129.3° |
| C10 | C11 | C19 | H16 | 179.6° | 179.8° |
| C11 | C12 | C13 | C18 | 178.5° | 179.5° |
| C11 | C12 | C13 | C14 | 179.2° | 180.0° |
| C11 | C12 | C18 | C17 | 1.2° | 0.4° |
| C12 | C11 | C19 | C20 | 179.2° | 180.0° |
| C11 | C12 | C18 | C16 | 179.2° | 179.8° |
| C12 | C11 | C10 | H10 | 0.6° | 0.1° |
| C11 | C12 | C13 | H11 | 0.7° | 0.0° |
| C12 | C11 | C19 | H16 | 0.8° | 0.0° |
| C12 | C13 | C14 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.4° | 0.1° |
| C13 | C12 | C18 | C17 | 179.7° | 179.9° |
| C13 | C12 | C11 | C19 | 125.7° | 130.0° |
| C13 | C12 | C18 | C16 | 0.6° | 0.8° |
| C12 | C13 | C14 | H12 | 179.7° | 179.7° |
| C13 | C14 | C15 | H12 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.0° | 0.2° |
| C14 | C13 | C12 | C18 | 0.7° | 0.6° |
| C13 | C14 | C15 | H13 | 180.0° | 179.8° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | N3 | 179.9° | 180.0° |
| C14 | C15 | C16 | C18 | 0.1° | 0.0° |
| C15 | C14 | C13 | H11 | 179.6° | 180.0° |
| C15 | C16 | N3 | C18 | 180.0° | 180.0° |
| C15 | C16 | N3 | N4 | 179.9° | 180.0° |
| C15 | C16 | C18 | C17 | 180.0° | 180.0° |
| C15 | C16 | C18 | C12 | 0.3° | 0.5° |
| C16 | C15 | C14 | H12 | 179.9° | 180.0° |
| C15 | C16 | N3 | H14 | 0.0° | 0.1° |
| C16 | N3 | N4 | H14 | 180.0° | 179.9° |
| C16 | N3 | N4 | C17 | 0.1° | 0.0° |
| N3 | C16 | C18 | C17 | 0.0° | 0.0° |
| N3 | C16 | C18 | C12 | 179.7° | 179.5° |
| N3 | C16 | C15 | H13 | 0.1° | 0.0° |
| N3 | N4 | C17 | C18 | 0.1° | 0.0° |
| N4 | N3 | C16 | C18 | 0.1° | 0.0° |
| N3 | N4 | C17 | H15 | 179.9° | 179.4° |
| N4 | C17 | C18 | H15 | 180.0° | 179.4° |
| N4 | C17 | C18 | C12 | 179.7° | 179.4° |
| N4 | C17 | C18 | C16 | 0.0° | 0.0° |
| C17 | N4 | N3 | H14 | 179.9° | 180.0° |
| C17 | C18 | C12 | C16 | 179.7° | 179.4° |
| C11 | C19 | C20 | H16 | 180.0° | 180.0° |
| C11 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C11 | C12 | C18 | 55.8° | 50.5° |
| C19 | C11 | C10 | H10 | 178.2° | 179.7° |
| C11 | C19 | C20 | H17 | 179.8° | 179.7° |
| C19 | C20 | C21 | H17 | 180.0° | 179.7° |
| C19 | C20 | C21 | O3 | 179.4° | 179.7° |
| C19 | C20 | C21 | C9 | 0.7° | 0.3° |
| C20 | C21 | O3 | C9 | 179.9° | 180.0° |
| C20 | C21 | O3 | C22 | 32.3° | 0.0° |
| C21 | C20 | C19 | H16 | 179.9° | 180.0° |
| C21 | O3 | C22 | C23 | 113.1° | 180.0° |
| O3 | C21 | C20 | H17 | 0.6° | 0.0° |
| C21 | O3 | C22 | H18 | 127.3° | 60.0° |
| C21 | O3 | C22 | H19 | 6.5° | 60.0° |
| O3 | C22 | C23 | H18 | 119.6° | 120.0° |
| O3 | C22 | C23 | H19 | 119.6° | 120.0° |
| O3 | C22 | C23 | C24 | 42.4° | 180.0° |
| C22 | O3 | C21 | C9 | 147.8° | 180.0° |
| O3 | C22 | H18 | H19 | 121.1° | 120.0° |
| O3 | C22 | C23 | H20 | 162.8° | 60.0° |
| O3 | C22 | C23 | H21 | 78.0° | 60.0° |
| C22 | C23 | C24 | H20 | 120.4° | 120.0° |
| C22 | C23 | C24 | H21 | 120.4° | 120.0° |
| C22 | C23 | C24 | N5 | 127.3° | 180.0° |
| C23 | C22 | H18 | H19 | 121.1° | 120.0° |
| C22 | C23 | H20 | H21 | 118.8° | 120.1° |
| C22 | C23 | C24 | H23 | 112.0° | 60.0° |
| C22 | C23 | C24 | H22 | 6.6° | 60.0° |
| C23 | C24 | N5 | H23 | 120.7° | 120.0° |
| C23 | C24 | N5 | H22 | 120.7° | 120.0° |
| C23 | C24 | N5 | C25 | 136.3° | 170.0° |
| C23 | C24 | N5 | C28 | 102.9° | 66.4° |
| C24 | C23 | C22 | H18 | 77.2° | 60.0° |
| C24 | C23 | C22 | H19 | 162.0° | 60.0° |
| C24 | C23 | H20 | H21 | 118.8° | 119.9° |
| C23 | C24 | H23 | H22 | 117.8° | 120.0° |
| C24 | N5 | C25 | C28 | 122.2° | 123.8° |
| C24 | N5 | C25 | C26 | 172.6° | 177.6° |
| C24 | N5 | C28 | C27 | 176.1° | 177.6° |
| C24 | N5 | C25 | H25 | 67.3° | 62.5° |
| C24 | N5 | C25 | H24 | 52.4° | 57.6° |
| N5 | C24 | C23 | H20 | 6.9° | 60.0° |
| N5 | C24 | C23 | H21 | 112.3° | 60.0° |
| N5 | C24 | H23 | H22 | 117.8° | 119.9° |
| C24 | N5 | C28 | H31 | 56.0° | 57.6° |
| C24 | N5 | C28 | H30 | 63.9° | 62.4° |
| N5 | C25 | C26 | H25 | 120.1° | 119.9° |
| N5 | C25 | C26 | H24 | 120.1° | 120.0° |
| N5 | C25 | C26 | O4 | 10.3° | 56.8° |
| C25 | N5 | C28 | C27 | 61.7° | 58.6° |
| N5 | C25 | H25 | H24 | 119.6° | 120.2° |
| C25 | N5 | C24 | H23 | 15.6° | 49.9° |
| C25 | N5 | C24 | H22 | 103.0° | 70.0° |
| N5 | C25 | C26 | H27 | 130.5° | 63.1° |
| N5 | C25 | C26 | H26 | 110.0° | 176.8° |
| C25 | N5 | C28 | H31 | 178.2° | 178.6° |
| C25 | N5 | C28 | H30 | 58.3° | 61.4° |
| C25 | C26 | O4 | H27 | 120.3° | 119.9° |
| C25 | C26 | O4 | H26 | 120.3° | 119.9° |
| C25 | C26 | O4 | C27 | 63.2° | 58.6° |
| C26 | C25 | N5 | C28 | 50.4° | 58.6° |
| C26 | C25 | H25 | H24 | 119.6° | 120.0° |
| C25 | C26 | H27 | H26 | 119.1° | 120.0° |
| C26 | O4 | C27 | C28 | 51.5° | 58.7° |
| O4 | C26 | C25 | H25 | 109.9° | 63.1° |
| O4 | C26 | C25 | H24 | 130.4° | 176.8° |
| C26 | O4 | C27 | H29 | 171.9° | 178.7° |
| C26 | O4 | C27 | H28 | 68.8° | 61.3° |
| O4 | C26 | H27 | H26 | 119.1° | 120.2° |
| O4 | C27 | C28 | H29 | 120.3° | 119.9° |
| O4 | C27 | C28 | H28 | 120.3° | 120.0° |
| O4 | C27 | C28 | N5 | 10.3° | 56.9° |
| O4 | C27 | H29 | H28 | 119.0° | 120.1° |
| C27 | O4 | C26 | H27 | 176.5° | 61.3° |
| C27 | O4 | C26 | H26 | 57.1° | 178.6° |
| O4 | C27 | C28 | H31 | 130.4° | 176.7° |
| O4 | C27 | C28 | H30 | 109.8° | 63.1° |
| C27 | C28 | N5 | H31 | 120.1° | 120.0° |
| C27 | C28 | N5 | H30 | 120.1° | 120.0° |
| C28 | C27 | H29 | H28 | 119.0° | 120.1° |
| C27 | C28 | H31 | H30 | 119.7° | 120.1° |
| N2 | C29 | C30 | H32 | 120.0° | 120.0° |
| N2 | C29 | C30 | H33 | 120.0° | 120.0° |
| N2 | C29 | C30 | N1 | 55.8° | 53.9° |
| N2 | C29 | C30 | H34 | 64.5° | 65.9° |
| N2 | C29 | C30 | H35 | 176.1° | 173.7° |
| N2 | C29 | H32 | H33 | 119.9° | 120.0° |
| C29 | N2 | C7 | H6 | 176.1° | 177.0° |
| C29 | N2 | C7 | H7 | 56.1° | 57.0° |
| C29 | N2 | C8 | H9 | 83.0° | 54.4° |
| C29 | N2 | C8 | H8 | 159.1° | 174.3° |
| C29 | C30 | N1 | H34 | 120.3° | 119.8° |
| C29 | C30 | N1 | H35 | 120.3° | 119.8° |
| C29 | C30 | H34 | H35 | 119.2° | 120.4° |
| C30 | C29 | H32 | H33 | 119.9° | 120.1° |
| O2 | C2 | C3 | H1 | 179.3° | 179.8° |
| C2 | O2 | C5 | H3 | 179.4° | 179.9° |
| N1 | C30 | H34 | H35 | 119.2° | 120.4° |
| N1 | C30 | C29 | H32 | 175.8° | 66.0° |
| N1 | C30 | C29 | H33 | 64.2° | 173.9° |
| C30 | N1 | C6 | H4 | 70.3° | 170.8° |
| C30 | N1 | C6 | H5 | 170.2° | 68.6° |
| C21 | C9 | C10 | H10 | 177.4° | 180.0° |
| C9 | C21 | C20 | H17 | 179.3° | 180.0° |
| C21 | C9 | C8 | H9 | 147.2° | 160.0° |
| C21 | C9 | C8 | H8 | 29.3° | 40.1° |
| C28 | N5 | C25 | H25 | 170.5° | 61.3° |
| C28 | N5 | C25 | H24 | 69.8° | 178.5° |
| N5 | C28 | C27 | H29 | 110.0° | 176.8° |
| N5 | C28 | C27 | H28 | 130.6° | 63.1° |
| C28 | N5 | C24 | H23 | 136.4° | 173.6° |
| C28 | N5 | C24 | H22 | 17.8° | 53.7° |
| N5 | C28 | H31 | H30 | 119.7° | 120.1° |
| C12 | C18 | C17 | H15 | 0.3° | 0.0° |
| C18 | C12 | C13 | H11 | 179.3° | 179.5° |
| C16 | C18 | C17 | H15 | 180.0° | 179.4° |
| C18 | C16 | C15 | H13 | 179.9° | 180.0° |
| C18 | C16 | N3 | H14 | 179.9° | 179.9° |
| H34 | C30 | C29 | H32 | 55.5° | 174.1° |
| H34 | C30 | C29 | H33 | 175.5° | 54.1° |
| H35 | C30 | C29 | H32 | 63.9° | 53.8° |
| H35 | C30 | C29 | H33 | 56.0° | 66.3° |
| H12 | C14 | C13 | H11 | 0.4° | 0.2° |
| H12 | C14 | C15 | H13 | 0.1° | 0.0° |
| H17 | C20 | C19 | H16 | 0.1° | 0.3° |
| H18 | C22 | C23 | H20 | 43.1° | 60.0° |
| H18 | C22 | C23 | H21 | 162.4° | 179.9° |
| H19 | C22 | C23 | H20 | 77.6° | 180.0° |
| H19 | C22 | C23 | H21 | 41.6° | 59.9° |
| H25 | C25 | C26 | H27 | 10.4° | 176.9° |
| H25 | C25 | C26 | H26 | 129.8° | 56.9° |
| H24 | C25 | C26 | H27 | 109.3° | 56.9° |
| H24 | C25 | C26 | H26 | 10.1° | 63.2° |
| H29 | C27 | C28 | H31 | 10.1° | 63.3° |
| H29 | C27 | C28 | H30 | 129.9° | 56.8° |
| H28 | C27 | C28 | H31 | 109.3° | 56.8° |
| H28 | C27 | C28 | H30 | 10.6° | 176.9° |
| H20 | C23 | C24 | H23 | 127.6° | 180.0° |
| H20 | C23 | C24 | H22 | 113.8° | 60.0° |
| H21 | C23 | C24 | H23 | 8.4° | 60.0° |
| H21 | C23 | C24 | H22 | 127.0° | 180.0° |
| H1 | C3 | C4 | H2 | 0.4° | 0.0° |
| H2 | C4 | C5 | H3 | 0.1° | 0.0° |
| H4 | C6 | C7 | H6 | 56.5° | 66.5° |
| H4 | C6 | C7 | H7 | 176.5° | 53.6° |
| H5 | C6 | C7 | H6 | 63.1° | 53.9° |
| H5 | C6 | C7 | H7 | 56.9° | 174.0° |
