A1L3B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C22 | sing | 1.51Å | 1.52Å | |
| C3 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C16 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O1 | sing | 1.43Å | 1.44Å | |
| C6 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C7 | sing | 1.40Å | 1.37Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.48Å | |
| C10 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | O1 | sing | 1.36Å | 1.37Å | |
| C12 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | N4 | doub | 1.31Å | 1.33Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.37Å | Aromatic |
| N5 | C14 | sing | 1.35Å | 1.36Å | Aromatic |
| N5 | C15 | sing | 1.46Å | 1.46Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C28 | sing | 1.43Å | 1.44Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | N6 | trip | 1.13Å | 1.14Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H29 | sing | 1.01Å | 1.00Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.7° | 109.5° |
| C1 | C2 | C22 | 112.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C1 | C2 | H4 | 107.4° | 109.5° |
| C3 | C2 | C22 | 110.5° | 109.5° |
| C2 | C3 | N1 | 111.5° | 109.5° |
| C3 | C2 | H4 | 107.3° | 109.5° |
| C2 | C3 | H5 | 108.9° | 109.5° |
| C2 | C3 | H6 | 109.0° | 109.5° |
| C2 | C22 | C23 | 120.6° | 119.8° |
| C2 | C22 | C27 | 121.2° | 119.8° |
| C22 | C2 | H4 | 107.5° | 109.5° |
| C3 | N1 | C4 | 111.8° | 111.0° |
| N1 | C3 | H5 | 109.0° | 109.5° |
| N1 | C3 | H6 | 109.0° | 109.5° |
| C3 | N1 | H29 | 108.9° | 111.1° |
| N1 | C4 | C5 | 110.2° | 109.5° |
| N1 | C4 | C16 | 111.0° | 109.5° |
| C4 | N1 | H29 | 108.9° | 111.0° |
| N1 | C4 | H8 | 107.2° | 109.4° |
| C5 | C4 | C16 | 114.8° | 109.5° |
| C4 | C5 | C6 | 111.9° | 109.6° |
| C4 | C5 | O1 | 108.6° | 109.6° |
| C5 | C4 | H8 | 106.5° | 109.5° |
| C4 | C5 | H9 | 107.5° | 109.6° |
| C4 | C16 | C17 | 120.1° | 120.0° |
| C4 | C16 | C21 | 121.5° | 120.0° |
| C16 | C4 | H8 | 106.6° | 109.5° |
| C6 | C5 | O1 | 112.6° | 108.8° |
| C5 | C6 | N2 | 110.0° | 107.5° |
| C6 | C5 | H9 | 107.4° | 109.6° |
| C5 | C6 | H10 | 109.3° | 109.8° |
| C5 | C6 | H11 | 109.3° | 109.8° |
| C5 | O1 | C11 | 114.8° | 117.8° |
| O1 | C5 | H9 | 108.6° | 109.6° |
| C6 | N2 | C7 | 120.9° | 117.7° |
| N2 | C6 | H10 | 109.3° | 109.9° |
| N2 | C6 | H11 | 109.3° | 109.8° |
| C6 | N2 | H12 | 106.6° | 121.2° |
| N2 | C7 | C8 | 121.4° | 120.3° |
| N2 | C7 | C11 | 119.4° | 120.0° |
| C7 | N2 | H12 | 106.6° | 121.2° |
| C8 | C7 | C11 | 119.1° | 119.7° |
| C7 | C8 | C9 | 119.2° | 118.2° |
| C7 | C8 | H13 | 120.4° | 120.9° |
| C7 | C11 | N3 | 121.2° | 120.2° |
| C7 | C11 | O1 | 122.5° | 120.4° |
| C8 | C9 | C10 | 118.4° | 118.9° |
| C8 | C9 | C12 | 119.9° | 120.5° |
| C9 | C8 | H13 | 120.4° | 120.9° |
| C10 | C9 | C12 | 121.7° | 120.6° |
| C9 | C10 | N3 | 122.7° | 121.1° |
| C9 | C10 | H14 | 118.7° | 119.4° |
| C9 | C12 | C13 | 126.5° | 126.2° |
| C9 | C12 | C14 | 129.2° | 126.2° |
| C10 | N3 | C11 | 119.4° | 122.0° |
| N3 | C10 | H14 | 118.6° | 119.5° |
| N3 | C11 | O1 | 116.3° | 119.4° |
| C13 | C12 | C14 | 104.3° | 107.6° |
| C12 | C13 | N4 | 112.3° | 108.1° |
| C12 | C13 | H15 | 123.8° | 126.0° |
| C12 | C14 | N5 | 107.2° | 107.6° |
| C12 | C14 | H16 | 126.4° | 126.2° |
| C13 | N4 | N5 | 104.6° | 108.5° |
| N4 | C13 | H15 | 123.8° | 125.9° |
| N4 | N5 | C14 | 111.6° | 108.2° |
| N4 | N5 | C15 | 119.5° | 125.9° |
| C14 | N5 | C15 | 128.9° | 125.9° |
| N5 | C14 | H16 | 126.4° | 126.2° |
| N5 | C15 | H17 | 109.5° | 109.5° |
| N5 | C15 | H19 | 109.5° | 109.5° |
| N5 | C15 | H18 | 109.5° | 109.4° |
| C17 | C16 | C21 | 118.5° | 120.0° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C16 | C17 | H20 | 119.5° | 120.0° |
| C16 | C21 | C20 | 120.5° | 120.0° |
| C16 | C21 | H24 | 119.8° | 120.0° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C18 | C17 | H20 | 119.5° | 120.0° |
| C17 | C18 | H21 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.0° | 120.0° |
| C19 | C18 | H21 | 120.1° | 120.0° |
| C18 | C19 | H22 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C20 | C19 | H22 | 120.0° | 120.0° |
| C19 | C20 | H23 | 119.9° | 120.0° |
| C21 | C20 | H23 | 119.9° | 120.0° |
| C20 | C21 | H24 | 119.7° | 120.0° |
| C23 | C22 | C27 | 118.2° | 120.3° |
| C22 | C23 | C24 | 121.1° | 120.2° |
| C22 | C23 | H25 | 119.5° | 120.0° |
| C22 | C27 | C26 | 121.1° | 120.2° |
| C22 | C27 | H28 | 119.4° | 119.9° |
| C23 | C24 | C25 | 120.1° | 119.8° |
| C24 | C23 | H25 | 119.4° | 119.9° |
| C23 | C24 | H26 | 120.0° | 120.1° |
| C24 | C25 | C26 | 120.2° | 119.7° |
| C24 | C25 | C28 | 119.3° | 120.2° |
| C25 | C24 | H26 | 120.0° | 120.1° |
| C26 | C25 | C28 | 120.5° | 120.2° |
| C25 | C26 | C27 | 119.3° | 119.8° |
| C25 | C26 | H27 | 120.3° | 120.0° |
| C25 | C28 | N6 | 176.6° | 179.9° |
| C27 | C26 | H27 | 120.4° | 120.1° |
| C26 | C27 | H28 | 119.4° | 119.9° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.9° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| H19 | C15 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C22 | 125.7° | 120.0° |
| C1 | C2 | C3 | H4 | 117.4° | 120.0° |
| C1 | C2 | C22 | H4 | 117.8° | 120.0° |
| C1 | C2 | C3 | N1 | 170.5° | 65.0° |
| C1 | C2 | C22 | C23 | 55.6° | 120.0° |
| C1 | C2 | C22 | C27 | 126.2° | 59.7° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 69.2° | 175.0° |
| C1 | C2 | C3 | H6 | 50.2° | 55.0° |
| C3 | C2 | C22 | H4 | 116.7° | 120.0° |
| C2 | C3 | N1 | H5 | 120.3° | 120.0° |
| C2 | C3 | N1 | H6 | 120.3° | 120.0° |
| C2 | C3 | N1 | C4 | 158.1° | 180.0° |
| C3 | C2 | C22 | C23 | 69.8° | 120.0° |
| C3 | C2 | C22 | C27 | 108.3° | 60.3° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C2 | C3 | H5 | H6 | 119.1° | 120.0° |
| C2 | C3 | N1 | H29 | 81.6° | 56.0° |
| C22 | C2 | C3 | N1 | 63.8° | 175.0° |
| C2 | C22 | C23 | C27 | 178.2° | 179.7° |
| C2 | C22 | C23 | C24 | 179.9° | 180.0° |
| C2 | C22 | C27 | C26 | 179.4° | 179.8° |
| C22 | C2 | C1 | H1 | 55.3° | 60.0° |
| C22 | C2 | C1 | H3 | 175.3° | 180.0° |
| C22 | C2 | C1 | H2 | 64.7° | 60.0° |
| C22 | C2 | C3 | H5 | 56.5° | 55.0° |
| C22 | C2 | C3 | H6 | 175.9° | 65.0° |
| C2 | C22 | C23 | H25 | 0.1° | 0.1° |
| C2 | C22 | C27 | H28 | 0.6° | 0.0° |
| C3 | N1 | C4 | H29 | 120.4° | 124.0° |
| C3 | N1 | C4 | C5 | 158.2° | 155.0° |
| C3 | N1 | C4 | C16 | 73.4° | 85.0° |
| N1 | C3 | C2 | H4 | 53.0° | 55.0° |
| N1 | C3 | H5 | H6 | 119.1° | 120.0° |
| C3 | N1 | C4 | H8 | 42.7° | 35.0° |
| N1 | C4 | C5 | C16 | 126.2° | 120.0° |
| N1 | C4 | C5 | H8 | 116.0° | 120.0° |
| N1 | C4 | C16 | H8 | 116.5° | 120.0° |
| N1 | C4 | C5 | C6 | 170.3° | 60.0° |
| N1 | C4 | C5 | O1 | 64.8° | 179.4° |
| N1 | C4 | C16 | C17 | 128.5° | 140.0° |
| N1 | C4 | C16 | C21 | 50.5° | 40.3° |
| C4 | N1 | C3 | H5 | 37.8° | 60.0° |
| C4 | N1 | C3 | H6 | 81.6° | 60.0° |
| N1 | C4 | C5 | H9 | 52.6° | 60.4° |
| C5 | C4 | C16 | H8 | 117.7° | 120.0° |
| C4 | C5 | C6 | O1 | 122.6° | 119.8° |
| C4 | C5 | C6 | H9 | 117.8° | 120.3° |
| C4 | C5 | O1 | H9 | 116.7° | 120.3° |
| C4 | C5 | C6 | N2 | 172.1° | 178.0° |
| C4 | C5 | O1 | C11 | 170.5° | 169.6° |
| C5 | C4 | C16 | C17 | 105.6° | 100.0° |
| C5 | C4 | C16 | C21 | 75.4° | 79.7° |
| C5 | C4 | N1 | H29 | 37.9° | 31.0° |
| C4 | C5 | C6 | H10 | 52.0° | 58.5° |
| C4 | C5 | C6 | H11 | 67.8° | 62.5° |
| C16 | C4 | C5 | C6 | 63.5° | 180.0° |
| C16 | C4 | C5 | O1 | 61.4° | 60.6° |
| C4 | C16 | C17 | C21 | 179.1° | 179.7° |
| C4 | C16 | C17 | C18 | 179.4° | 180.0° |
| C4 | C16 | C21 | C20 | 178.2° | 179.8° |
| C16 | C4 | N1 | H29 | 166.2° | 151.0° |
| C16 | C4 | C5 | H9 | 178.8° | 59.7° |
| C4 | C16 | C17 | H20 | 0.6° | 0.1° |
| C4 | C16 | C21 | H24 | 1.7° | 0.0° |
| C6 | C5 | O1 | H9 | 118.9° | 119.8° |
| C5 | C6 | N2 | H10 | 120.1° | 119.5° |
| C5 | C6 | N2 | H11 | 120.1° | 119.5° |
| C5 | C6 | N2 | C7 | 29.8° | 41.8° |
| C6 | C5 | O1 | C11 | 46.1° | 49.8° |
| C6 | C5 | C4 | H8 | 54.3° | 60.0° |
| C5 | C6 | H10 | H11 | 119.7° | 120.9° |
| C5 | C6 | N2 | H12 | 151.5° | 138.3° |
| O1 | C5 | C6 | N2 | 49.5° | 58.2° |
| C5 | O1 | C11 | C7 | 21.6° | 20.6° |
| C5 | O1 | C11 | N3 | 159.3° | 159.7° |
| O1 | C5 | C4 | H8 | 179.2° | 59.4° |
| O1 | C5 | C6 | H10 | 70.6° | 61.3° |
| O1 | C5 | C6 | H11 | 169.6° | 177.7° |
| C6 | N2 | C7 | H12 | 121.6° | 180.0° |
| C6 | N2 | C7 | C8 | 172.9° | 166.3° |
| C6 | N2 | C7 | C11 | 5.9° | 13.7° |
| N2 | C6 | C5 | H9 | 70.1° | 61.7° |
| N2 | C6 | H10 | H11 | 119.7° | 121.0° |
| N2 | C7 | C8 | C11 | 178.8° | 180.0° |
| N2 | C7 | C8 | C9 | 179.5° | 179.9° |
| N2 | C7 | C11 | N3 | 179.2° | 179.8° |
| N2 | C7 | C11 | O1 | 0.2° | 0.6° |
| C7 | N2 | C6 | H10 | 90.2° | 77.7° |
| C7 | N2 | C6 | H11 | 149.9° | 161.3° |
| N2 | C7 | C8 | H13 | 0.5° | 0.2° |
| C7 | C8 | C9 | H13 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C7 | C8 | C9 | C12 | 178.4° | 179.9° |
| C8 | C7 | C11 | N3 | 0.4° | 0.2° |
| C8 | C7 | C11 | O1 | 178.6° | 179.5° |
| C8 | C7 | N2 | H12 | 51.3° | 13.6° |
| C11 | C7 | C8 | C9 | 0.6° | 0.1° |
| C7 | C11 | N3 | C10 | 0.8° | 0.2° |
| C7 | C11 | N3 | O1 | 179.1° | 179.7° |
| C11 | C7 | N2 | H12 | 127.5° | 166.4° |
| C11 | C7 | C8 | H13 | 179.4° | 179.8° |
| C8 | C9 | C10 | C12 | 178.0° | 180.0° |
| C8 | C9 | C10 | N3 | 1.5° | 0.1° |
| C8 | C9 | C12 | C13 | 3.8° | 0.0° |
| C8 | C9 | C12 | C14 | 174.9° | 179.7° |
| C8 | C9 | C10 | H14 | 178.5° | 179.9° |
| C9 | C10 | N3 | H14 | 180.0° | 180.0° |
| C9 | C10 | N3 | C11 | 1.8° | 0.0° |
| C10 | C9 | C12 | C13 | 178.2° | 180.0° |
| C10 | C9 | C12 | C14 | 3.1° | 0.3° |
| C10 | C9 | C8 | H13 | 179.7° | 180.0° |
| C12 | C9 | C10 | N3 | 179.6° | 179.9° |
| C9 | C12 | C13 | C14 | 179.0° | 179.7° |
| C9 | C12 | C13 | N4 | 178.3° | 180.0° |
| C9 | C12 | C14 | N5 | 178.9° | 179.9° |
| C12 | C9 | C8 | H13 | 1.6° | 0.0° |
| C12 | C9 | C10 | H14 | 0.4° | 0.1° |
| C9 | C12 | C13 | H15 | 1.7° | 0.1° |
| C9 | C12 | C14 | H16 | 1.1° | 0.1° |
| C10 | N3 | C11 | O1 | 179.9° | 179.5° |
| C11 | N3 | C10 | H14 | 178.2° | 180.0° |
| C11 | O1 | C5 | H9 | 72.8° | 70.1° |
| C12 | C13 | N4 | H15 | 180.0° | 179.9° |
| C12 | C13 | N4 | N5 | 1.0° | 0.1° |
| C13 | C12 | C14 | N5 | 0.0° | 0.4° |
| C13 | C12 | C14 | H16 | 180.0° | 179.8° |
| C14 | C12 | C13 | N4 | 0.7° | 0.3° |
| C12 | C14 | N5 | N4 | 0.6° | 0.4° |
| C12 | C14 | N5 | H16 | 180.0° | 179.8° |
| C12 | C14 | N5 | C15 | 180.0° | 179.8° |
| C14 | C12 | C13 | H15 | 179.3° | 179.8° |
| C13 | N4 | N5 | C14 | 1.0° | 0.2° |
| C13 | N4 | N5 | C15 | 179.6° | 180.0° |
| N4 | N5 | C14 | C15 | 179.3° | 179.8° |
| N5 | N4 | C13 | H15 | 179.0° | 180.0° |
| N4 | N5 | C14 | H16 | 179.4° | 179.8° |
| N4 | N5 | C15 | H17 | 0.0° | 90.0° |
| N4 | N5 | C15 | H19 | 120.0° | 150.0° |
| N4 | N5 | C15 | H18 | 120.0° | 29.9° |
| C14 | N5 | C15 | H17 | 179.3° | 89.8° |
| C14 | N5 | C15 | H19 | 59.2° | 30.3° |
| C14 | N5 | C15 | H18 | 60.7° | 150.3° |
| C15 | N5 | C14 | H16 | 0.1° | 0.0° |
| N5 | C15 | H17 | H19 | 120.0° | 120.1° |
| N5 | C15 | H17 | H18 | 120.0° | 119.9° |
| N5 | C15 | H19 | H18 | 120.0° | 120.0° |
| C16 | C17 | C18 | H20 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.9° | 0.0° |
| C17 | C16 | C21 | C20 | 0.8° | 0.4° |
| C17 | C16 | C4 | H8 | 12.1° | 20.0° |
| C16 | C17 | C18 | H21 | 178.1° | 179.9° |
| C17 | C16 | C21 | H24 | 179.2° | 179.7° |
| C21 | C16 | C17 | C18 | 0.4° | 0.2° |
| C16 | C21 | C20 | C19 | 0.5° | 0.4° |
| C16 | C21 | C20 | H24 | 180.0° | 179.9° |
| C21 | C16 | C4 | H8 | 167.0° | 160.2° |
| C21 | C16 | C17 | H20 | 179.6° | 179.8° |
| C16 | C21 | C20 | H23 | 179.5° | 179.7° |
| C17 | C18 | C19 | H21 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 2.2° | 0.1° |
| C17 | C18 | C19 | H22 | 177.8° | 179.9° |
| C18 | C19 | C20 | H22 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.0° | 0.1° |
| C19 | C18 | C17 | H20 | 178.1° | 179.9° |
| C18 | C19 | C20 | H23 | 179.0° | 180.0° |
| C19 | C20 | C21 | H23 | 180.0° | 179.9° |
| C20 | C19 | C18 | H21 | 177.8° | 180.0° |
| C19 | C20 | C21 | H24 | 179.5° | 179.7° |
| C21 | C20 | C19 | H22 | 179.0° | 179.9° |
| C22 | C23 | C24 | H25 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.8° | 0.1° |
| C23 | C22 | C27 | C26 | 1.3° | 0.5° |
| C23 | C22 | C2 | H4 | 173.5° | 0.0° |
| C22 | C23 | C24 | H26 | 178.2° | 180.0° |
| C23 | C22 | C27 | H28 | 178.7° | 179.7° |
| C27 | C22 | C23 | C24 | 1.7° | 0.3° |
| C22 | C27 | C26 | C25 | 0.9° | 0.4° |
| C22 | C27 | C26 | H28 | 180.0° | 179.8° |
| C27 | C22 | C2 | H4 | 8.4° | 179.7° |
| C27 | C22 | C23 | H25 | 178.3° | 179.8° |
| C22 | C27 | C26 | H27 | 179.1° | 179.8° |
| C23 | C24 | C25 | H26 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.4° | 0.0° |
| C23 | C24 | C25 | C28 | 179.9° | 180.0° |
| C24 | C25 | C26 | C28 | 178.5° | 180.0° |
| C24 | C25 | C26 | C27 | 0.9° | 0.2° |
| C24 | C25 | C28 | N6 | 4.6° | 86.6° |
| C25 | C24 | C23 | H25 | 178.2° | 180.0° |
| C24 | C25 | C26 | H27 | 179.1° | 180.0° |
| C25 | C26 | C27 | H27 | 180.0° | 179.8° |
| C26 | C25 | C28 | N6 | 173.9° | 93.4° |
| C26 | C25 | C24 | H26 | 178.6° | 180.0° |
| C25 | C26 | C27 | H28 | 179.1° | 179.7° |
| C28 | C25 | C26 | C27 | 179.4° | 179.8° |
| C28 | C25 | C24 | H26 | 0.1° | 0.0° |
| C28 | C25 | C26 | H27 | 0.6° | 0.0° |
| H1 | C1 | H3 | H2 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 62.6° | 60.0° |
| H3 | C1 | C2 | H4 | 57.4° | 60.0° |
| H2 | C1 | C2 | H4 | 177.4° | 180.0° |
| H4 | C2 | C3 | H5 | 173.3° | 65.0° |
| H4 | C2 | C3 | H6 | 67.3° | 175.0° |
| H5 | C3 | N1 | H29 | 158.1° | 176.0° |
| H6 | C3 | N1 | H29 | 38.7° | 63.9° |
| H29 | N1 | C4 | H8 | 77.7° | 89.0° |
| H8 | C4 | C5 | H9 | 63.5° | 179.7° |
| H9 | C5 | C6 | H10 | 169.8° | 178.8° |
| H9 | C5 | C6 | H11 | 50.0° | 57.9° |
| H10 | C6 | N2 | H12 | 31.4° | 102.2° |
| H11 | C6 | N2 | H12 | 88.4° | 18.8° |
| H17 | C15 | H19 | H18 | 120.0° | 120.0° |
| H20 | C17 | C18 | H21 | 1.9° | 0.0° |
| H21 | C18 | C19 | H22 | 2.2° | 0.0° |
| H22 | C19 | C20 | H23 | 1.0° | 0.0° |
| H23 | C20 | C21 | H24 | 0.5° | 0.1° |
| H25 | C23 | C24 | H26 | 1.8° | 0.1° |
| H27 | C26 | C27 | H28 | 0.9° | 0.0° |
