A1AWD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.36Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.36Å | 1.36Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | C21 | sing | 1.42Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | N4 | sing | 1.33Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.37Å | 1.38Å | Aromatic |
| N4 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.50Å | 1.51Å | |
| O2 | C17 | sing | 1.36Å | 1.37Å | |
| C29 | C9 | sing | 1.53Å | 1.53Å | |
| C19 | O3 | sing | 1.45Å | 1.46Å | |
| C19 | C10 | sing | 1.52Å | 1.54Å | |
| O3 | C18 | sing | 1.35Å | 1.38Å | |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.52Å | 1.53Å | |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| C9 | C7 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.52Å | 1.53Å | |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C8 | sing | 1.49Å | 1.51Å | |
| C8 | C7 | sing | 1.52Å | 1.56Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| N3 | C6 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C1 | sing | 1.37Å | 1.33Å | |
| C1 | N5 | doub | 1.30Å | 1.32Å | |
| C1 | N1 | sing | 1.37Å | 1.32Å | |
| C27 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| N1 | H29 | sing | 0.97Å | 1.00Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| O1 | H33 | sing | 0.97Å | 0.95Å | |
| O2 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 120.2° | 120.8° |
| C24 | C23 | C22 | 120.9° | 121.1° |
| C24 | C23 | H12 | 119.6° | 119.4° |
| C23 | C24 | H13 | 119.9° | 119.6° |
| C24 | C25 | C26 | 120.2° | 119.6° |
| C25 | C24 | H13 | 119.9° | 119.6° |
| C24 | C25 | H14 | 119.9° | 120.2° |
| C23 | C22 | C21 | 120.2° | 119.8° |
| C23 | C22 | H11 | 119.9° | 120.0° |
| C22 | C23 | H12 | 119.6° | 119.5° |
| C25 | C26 | C21 | 119.5° | 119.7° |
| C25 | C26 | C27 | 122.5° | 121.8° |
| C26 | C25 | H14 | 119.9° | 120.2° |
| C22 | C21 | C26 | 119.0° | 119.0° |
| C22 | C21 | N4 | 119.8° | 121.3° |
| C21 | C22 | H11 | 119.9° | 120.2° |
| C21 | C26 | C27 | 118.1° | 118.6° |
| C26 | C21 | N4 | 121.2° | 119.7° |
| C26 | C27 | C28 | 120.4° | 118.6° |
| C26 | C27 | H1 | 119.8° | 120.7° |
| C21 | N4 | C20 | 120.1° | 122.3° |
| C27 | C28 | C20 | 118.4° | 120.4° |
| C27 | C28 | C29 | 119.1° | 118.0° |
| C28 | C27 | H1 | 119.8° | 120.7° |
| N4 | C20 | C28 | 121.9° | 120.5° |
| N4 | C20 | C19 | 115.4° | 117.0° |
| C20 | C28 | C29 | 122.6° | 121.6° |
| C28 | C20 | C19 | 122.8° | 122.6° |
| C28 | C29 | C9 | 116.1° | 109.4° |
| C28 | C29 | H15 | 107.8° | 109.5° |
| C28 | C29 | H16 | 107.8° | 109.5° |
| C20 | C19 | O3 | 109.3° | 108.8° |
| C20 | C19 | C10 | 112.6° | 113.5° |
| C20 | C19 | H8 | 110.5° | 110.6° |
| O2 | C17 | C18 | 120.3° | 121.4° |
| O2 | C17 | C16 | 122.9° | 121.5° |
| C17 | O2 | H34 | 109.5° | 114.0° |
| C29 | C9 | C10 | 111.4° | 108.8° |
| C29 | C9 | O1 | 106.7° | 110.5° |
| C29 | C9 | C7 | 113.1° | 108.7° |
| C9 | C29 | H15 | 107.8° | 109.5° |
| C9 | C29 | H16 | 107.8° | 109.5° |
| O3 | C19 | C10 | 103.0° | 103.2° |
| C19 | O3 | C18 | 104.2° | 109.5° |
| O3 | C19 | H8 | 111.2° | 110.3° |
| C19 | C10 | C13 | 98.1° | 101.5° |
| C19 | C10 | C9 | 118.9° | 116.8° |
| C19 | C10 | C11 | 109.7° | 111.9° |
| C10 | C19 | H8 | 110.0° | 110.2° |
| O3 | C18 | C17 | 128.3° | 131.6° |
| O3 | C18 | C13 | 110.6° | 110.4° |
| C18 | C17 | C16 | 116.8° | 117.0° |
| C17 | C18 | C13 | 121.1° | 117.9° |
| C17 | C16 | C15 | 121.3° | 123.2° |
| C17 | C16 | H7 | 119.4° | 118.4° |
| C18 | C13 | C10 | 109.3° | 107.9° |
| C18 | C13 | C14 | 123.6° | 125.3° |
| C16 | C15 | C14 | 121.1° | 120.2° |
| C16 | C15 | H6 | 119.5° | 119.9° |
| C15 | C16 | H7 | 119.4° | 118.4° |
| C10 | C13 | C14 | 127.1° | 126.5° |
| C13 | C10 | C9 | 108.5° | 105.0° |
| C13 | C10 | C11 | 112.3° | 110.4° |
| C13 | C14 | C15 | 116.2° | 115.9° |
| C13 | C14 | C8 | 117.4° | 119.4° |
| C10 | C9 | O1 | 109.3° | 110.5° |
| C10 | C9 | C7 | 105.5° | 107.2° |
| C9 | C10 | C11 | 109.0° | 110.6° |
| O1 | C9 | C7 | 110.9° | 110.9° |
| C9 | O1 | H33 | 109.5° | 114.0° |
| C9 | C7 | C8 | 113.1° | 114.0° |
| C9 | C7 | N3 | 107.0° | 109.5° |
| C9 | C7 | H25 | 106.8° | 107.9° |
| C10 | C11 | C12 | 112.1° | 109.0° |
| C10 | C11 | H2 | 108.8° | 109.6° |
| C10 | C11 | H3 | 108.8° | 109.5° |
| C15 | C14 | C8 | 126.4° | 124.7° |
| C14 | C15 | H6 | 119.4° | 119.9° |
| C14 | C8 | C7 | 115.2° | 113.5° |
| C14 | C8 | H26 | 108.0° | 108.6° |
| C14 | C8 | H27 | 108.0° | 108.6° |
| C8 | C7 | N3 | 115.2° | 110.4° |
| C8 | C7 | H25 | 106.6° | 107.1° |
| C7 | C8 | H26 | 108.0° | 108.7° |
| C7 | C8 | H27 | 108.0° | 108.7° |
| C7 | N3 | C12 | 112.8° | 111.7° |
| C7 | N3 | C6 | 113.6° | 111.0° |
| N3 | C7 | H25 | 107.7° | 107.8° |
| C11 | C12 | N3 | 111.0° | 109.5° |
| C12 | C11 | H2 | 108.8° | 109.6° |
| C12 | C11 | H3 | 108.8° | 109.6° |
| C11 | C12 | H4 | 109.1° | 109.5° |
| C11 | C12 | H5 | 109.1° | 109.4° |
| C12 | N3 | C6 | 111.4° | 111.0° |
| N3 | C12 | H4 | 109.1° | 109.5° |
| N3 | C12 | H5 | 109.1° | 109.5° |
| N3 | C6 | C5 | 112.8° | 109.5° |
| N3 | C6 | H23 | 108.6° | 109.4° |
| N3 | C6 | H24 | 108.7° | 109.5° |
| C6 | C5 | C4 | 113.5° | 109.5° |
| C6 | C5 | H21 | 108.4° | 109.5° |
| C6 | C5 | H22 | 108.4° | 109.5° |
| C5 | C6 | H23 | 108.6° | 109.5° |
| C5 | C6 | H24 | 108.6° | 109.5° |
| C5 | C4 | C3 | 114.2° | 109.5° |
| C5 | C4 | H19 | 108.3° | 109.4° |
| C5 | C4 | H20 | 108.3° | 109.4° |
| C4 | C5 | H21 | 108.5° | 109.4° |
| C4 | C5 | H22 | 108.5° | 109.4° |
| C4 | C3 | C2 | 113.7° | 109.5° |
| C4 | C3 | H17 | 108.4° | 109.5° |
| C4 | C3 | H18 | 108.4° | 109.5° |
| C3 | C4 | H19 | 108.3° | 109.5° |
| C3 | C4 | H20 | 108.3° | 109.5° |
| C3 | C2 | N2 | 114.1° | 109.5° |
| C3 | C2 | H9 | 108.3° | 109.4° |
| C3 | C2 | H10 | 108.3° | 109.5° |
| C2 | C3 | H17 | 108.4° | 109.5° |
| C2 | C3 | H18 | 108.4° | 109.4° |
| C2 | N2 | C1 | 124.4° | 120.0° |
| N2 | C2 | H9 | 108.3° | 109.5° |
| N2 | C2 | H10 | 108.3° | 109.5° |
| C2 | N2 | H30 | 117.8° | 120.0° |
| N2 | C1 | N5 | 120.1° | 120.0° |
| N2 | C1 | N1 | 120.0° | 120.0° |
| C1 | N2 | H30 | 117.8° | 120.0° |
| N5 | C1 | N1 | 119.9° | 120.0° |
| C1 | N5 | H32 | 112.0° | 120.0° |
| C1 | N1 | H28 | 120.0° | 120.0° |
| C1 | N1 | H29 | 120.0° | 120.0° |
| H2 | C11 | H3 | 109.5° | 109.6° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H9 | C2 | H10 | 109.5° | 109.4° |
| H15 | C29 | H16 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.4° |
| H19 | C4 | H20 | 109.5° | 109.4° |
| H21 | C5 | H22 | 109.5° | 109.5° |
| H23 | C6 | H24 | 109.5° | 109.5° |
| H26 | C8 | H27 | 109.5° | 108.5° |
| H28 | N1 | H29 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H13 | 180.0° | 179.4° |
| C24 | C23 | C22 | H12 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.8° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | H11 | 179.9° | 180.0° |
| C23 | C24 | C25 | H14 | 179.9° | 179.9° |
| C25 | C24 | C23 | C22 | 0.1° | 0.7° |
| C24 | C25 | C26 | H14 | 180.0° | 179.2° |
| C24 | C25 | C26 | C21 | 0.1° | 0.3° |
| C24 | C25 | C26 | C27 | 179.9° | 179.7° |
| C25 | C24 | C23 | H12 | 179.9° | 179.3° |
| C23 | C22 | C21 | H11 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 0.1° | 0.4° |
| C23 | C22 | C21 | N4 | 179.9° | 180.0° |
| C22 | C23 | C24 | H13 | 179.9° | 180.0° |
| C25 | C26 | C21 | C22 | 0.0° | 0.3° |
| C25 | C26 | C21 | C27 | 180.0° | 180.0° |
| C25 | C26 | C21 | N4 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 179.9° | 180.0° |
| C25 | C26 | C27 | H1 | 0.1° | 0.0° |
| C26 | C25 | C24 | H13 | 179.9° | 179.8° |
| C22 | C21 | C26 | N4 | 180.0° | 179.6° |
| C22 | C21 | C26 | C27 | 179.9° | 179.7° |
| C22 | C21 | N4 | C20 | 179.9° | 179.8° |
| C21 | C22 | C23 | H12 | 179.9° | 180.0° |
| C21 | C26 | C27 | C28 | 0.1° | 0.1° |
| C26 | C21 | N4 | C20 | 0.1° | 0.2° |
| C21 | C26 | C27 | H1 | 179.9° | 180.0° |
| C26 | C21 | C22 | H11 | 179.9° | 179.5° |
| C21 | C26 | C25 | H14 | 179.9° | 179.6° |
| C27 | C26 | C21 | N4 | 0.1° | 0.1° |
| C26 | C27 | C28 | H1 | 180.0° | 179.9° |
| C26 | C27 | C28 | C20 | 0.3° | 0.0° |
| C26 | C27 | C28 | C29 | 179.7° | 179.7° |
| C27 | C26 | C25 | H14 | 0.1° | 0.5° |
| C21 | N4 | C20 | C28 | 0.3° | 0.2° |
| C21 | N4 | C20 | C19 | 180.0° | 179.8° |
| N4 | C21 | C22 | H11 | 0.1° | 0.1° |
| C27 | C28 | C20 | N4 | 0.3° | 0.1° |
| C27 | C28 | C20 | C29 | 179.4° | 179.7° |
| C27 | C28 | C20 | C19 | 180.0° | 180.0° |
| C27 | C28 | C29 | C9 | 166.2° | 147.4° |
| C27 | C28 | C29 | H15 | 45.2° | 27.4° |
| C27 | C28 | C29 | H16 | 72.9° | 92.6° |
| N4 | C20 | C28 | C19 | 179.7° | 179.9° |
| N4 | C20 | C28 | C29 | 179.8° | 179.8° |
| N4 | C20 | C19 | O3 | 56.9° | 71.9° |
| N4 | C20 | C19 | C10 | 170.7° | 173.8° |
| N4 | C20 | C19 | H8 | 65.8° | 49.4° |
| C20 | C28 | C29 | C9 | 14.4° | 32.9° |
| C28 | C20 | C19 | O3 | 123.4° | 108.2° |
| C28 | C20 | C19 | C10 | 9.6° | 6.2° |
| C20 | C28 | C27 | H1 | 179.8° | 180.0° |
| C28 | C20 | C19 | H8 | 113.9° | 130.6° |
| C20 | C28 | C29 | H15 | 135.4° | 152.9° |
| C20 | C28 | C29 | H16 | 106.6° | 87.1° |
| C29 | C28 | C20 | C19 | 0.5° | 0.2° |
| C28 | C29 | C9 | H15 | 120.9° | 120.0° |
| C28 | C29 | C9 | H16 | 121.0° | 120.0° |
| C28 | C29 | C9 | C10 | 35.7° | 57.0° |
| C28 | C29 | C9 | O1 | 83.5° | 64.5° |
| C28 | C29 | C9 | C7 | 154.3° | 173.5° |
| C29 | C28 | C27 | H1 | 0.3° | 0.2° |
| C28 | C29 | H15 | H16 | 117.0° | 120.0° |
| C20 | C19 | O3 | C10 | 119.9° | 120.9° |
| C20 | C19 | O3 | H8 | 122.3° | 121.5° |
| C20 | C19 | C10 | H8 | 123.8° | 124.6° |
| C20 | C19 | O3 | C18 | 82.7° | 94.8° |
| C20 | C19 | C10 | C13 | 82.4° | 91.7° |
| C20 | C19 | C10 | C9 | 34.0° | 21.8° |
| C20 | C19 | C10 | C11 | 160.3° | 150.6° |
| O2 | C17 | C18 | O3 | 0.7° | 4.4° |
| O2 | C17 | C18 | C16 | 179.0° | 180.0° |
| O2 | C17 | C18 | C13 | 179.4° | 177.9° |
| O2 | C17 | C16 | C15 | 179.8° | 178.2° |
| O2 | C17 | C16 | H7 | 0.2° | 1.8° |
| C29 | C9 | C10 | C19 | 47.4° | 53.9° |
| C29 | C9 | C10 | C13 | 63.4° | 57.6° |
| C29 | C9 | C10 | O1 | 117.6° | 121.5° |
| C29 | C9 | C10 | C7 | 123.1° | 117.4° |
| C29 | C9 | O1 | C7 | 123.6° | 120.7° |
| C29 | C9 | C10 | C11 | 174.0° | 176.6° |
| C29 | C9 | C7 | C8 | 60.9° | 53.6° |
| C29 | C9 | C7 | N3 | 171.2° | 177.7° |
| C9 | C29 | H15 | H16 | 117.0° | 120.0° |
| C29 | C9 | C7 | H25 | 56.1° | 65.2° |
| C29 | C9 | O1 | H33 | 180.0° | 60.0° |
| O3 | C19 | C10 | H8 | 118.6° | 117.7° |
| C19 | O3 | C18 | C17 | 157.1° | 163.0° |
| C19 | O3 | C18 | C13 | 24.0° | 14.8° |
| O3 | C19 | C10 | C13 | 35.2° | 25.9° |
| O3 | C19 | C10 | C9 | 151.6° | 139.4° |
| O3 | C19 | C10 | C11 | 82.1° | 91.7° |
| C10 | C19 | O3 | C18 | 37.2° | 26.1° |
| C19 | C10 | C13 | C18 | 22.1° | 18.5° |
| C19 | C10 | C13 | C9 | 124.2° | 122.0° |
| C19 | C10 | C13 | C11 | 115.3° | 118.7° |
| C19 | C10 | C13 | C14 | 157.4° | 155.6° |
| C19 | C10 | C9 | C11 | 126.7° | 129.4° |
| C19 | C10 | C9 | O1 | 70.3° | 67.6° |
| C19 | C10 | C9 | C7 | 170.4° | 171.4° |
| C19 | C10 | C11 | C12 | 172.7° | 169.7° |
| C19 | C10 | C11 | H2 | 52.3° | 49.9° |
| C19 | C10 | C11 | H3 | 66.9° | 70.4° |
| O3 | C18 | C17 | C13 | 178.8° | 177.7° |
| O3 | C18 | C17 | C16 | 179.6° | 175.6° |
| O3 | C18 | C13 | C10 | 0.0° | 3.3° |
| O3 | C18 | C13 | C14 | 179.6° | 170.9° |
| C18 | O3 | C19 | H8 | 155.0° | 143.7° |
| C18 | C17 | C16 | C15 | 0.8° | 1.8° |
| C17 | C18 | C13 | C10 | 179.0° | 178.6° |
| C17 | C18 | C13 | C14 | 1.5° | 7.3° |
| C18 | C17 | C16 | H7 | 179.2° | 178.2° |
| C18 | C17 | O2 | H34 | 180.0° | 90.0° |
| C16 | C17 | C18 | C13 | 1.6° | 2.1° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 1.1° |
| C17 | C16 | C15 | H6 | 179.9° | 178.9° |
| C16 | C17 | O2 | H34 | 1.1° | 90.0° |
| C18 | C13 | C10 | C14 | 179.5° | 174.1° |
| C18 | C13 | C10 | C9 | 146.3° | 140.6° |
| C18 | C13 | C10 | C11 | 93.2° | 100.2° |
| C18 | C13 | C14 | C15 | 0.5° | 7.8° |
| C18 | C13 | C14 | C8 | 178.3° | 170.2° |
| C16 | C15 | C14 | C13 | 0.3° | 3.4° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | C8 | 179.0° | 174.4° |
| C13 | C10 | C9 | C11 | 122.5° | 119.1° |
| C13 | C10 | C9 | O1 | 179.0° | 179.1° |
| C13 | C10 | C9 | C7 | 59.6° | 59.9° |
| C10 | C13 | C14 | C15 | 179.9° | 179.1° |
| C10 | C13 | C14 | C8 | 1.2° | 2.9° |
| C13 | C10 | C11 | C12 | 64.7° | 57.6° |
| C13 | C10 | C11 | H2 | 55.7° | 62.3° |
| C13 | C10 | C11 | H3 | 174.9° | 177.4° |
| C13 | C10 | C19 | H8 | 153.8° | 143.6° |
| C14 | C13 | C10 | C9 | 33.2° | 33.5° |
| C14 | C13 | C10 | C11 | 87.3° | 85.7° |
| C13 | C14 | C15 | C8 | 178.6° | 177.8° |
| C13 | C14 | C8 | C7 | 0.4° | 1.0° |
| C13 | C14 | C15 | H6 | 179.7° | 176.6° |
| C13 | C14 | C8 | H26 | 121.2° | 120.0° |
| C13 | C14 | C8 | H27 | 120.5° | 122.1° |
| C10 | C9 | O1 | C7 | 115.9° | 118.8° |
| C10 | C9 | C7 | C8 | 61.1° | 63.9° |
| C10 | C9 | C7 | N3 | 66.9° | 60.3° |
| C9 | C10 | C11 | C12 | 55.6° | 58.2° |
| C9 | C10 | C11 | H2 | 176.0° | 178.1° |
| C9 | C10 | C11 | H3 | 64.8° | 61.6° |
| C9 | C10 | C19 | H8 | 89.8° | 102.8° |
| C10 | C9 | C29 | H15 | 156.7° | 177.0° |
| C10 | C9 | C29 | H16 | 85.3° | 63.0° |
| C10 | C9 | C7 | H25 | 178.0° | 177.3° |
| C10 | C9 | O1 | H33 | 59.5° | 179.5° |
| O1 | C9 | C10 | C11 | 56.4° | 61.9° |
| O1 | C9 | C7 | C8 | 179.3° | 175.3° |
| O1 | C9 | C7 | N3 | 51.4° | 60.5° |
| O1 | C9 | C29 | H15 | 37.4° | 55.4° |
| O1 | C9 | C29 | H16 | 155.5° | 175.4° |
| O1 | C9 | C7 | H25 | 63.7° | 56.5° |
| C7 | C9 | C10 | C11 | 62.9° | 59.2° |
| C9 | C7 | C8 | C14 | 30.8° | 31.8° |
| C9 | C7 | C8 | N3 | 123.5° | 123.7° |
| C9 | C7 | C8 | H25 | 117.1° | 119.2° |
| C9 | C7 | N3 | H25 | 114.5° | 117.1° |
| C9 | C7 | N3 | C12 | 64.5° | 62.7° |
| C9 | C7 | N3 | C6 | 167.5° | 172.8° |
| C7 | C9 | C29 | H15 | 84.8° | 66.5° |
| C7 | C9 | C29 | H16 | 33.3° | 53.5° |
| C9 | C7 | C8 | H26 | 90.0° | 89.2° |
| C9 | C7 | C8 | H27 | 151.7° | 152.9° |
| C7 | C9 | O1 | H33 | 56.4° | 60.7° |
| C10 | C11 | C12 | H2 | 120.4° | 119.9° |
| C10 | C11 | C12 | H3 | 120.4° | 119.8° |
| C10 | C11 | C12 | N3 | 49.8° | 57.2° |
| C10 | C11 | H2 | H3 | 118.8° | 120.2° |
| C10 | C11 | C12 | H4 | 70.4° | 62.8° |
| C10 | C11 | C12 | H5 | 170.1° | 177.2° |
| C11 | C10 | C19 | H8 | 36.6° | 26.0° |
| C15 | C14 | C8 | C7 | 178.2° | 178.8° |
| C14 | C15 | C16 | H7 | 179.9° | 178.8° |
| C15 | C14 | C8 | H26 | 57.4° | 57.8° |
| C15 | C14 | C8 | H27 | 60.9° | 60.1° |
| C14 | C8 | C7 | H26 | 120.8° | 121.0° |
| C14 | C8 | C7 | H27 | 120.8° | 121.0° |
| C14 | C8 | C7 | N3 | 92.7° | 91.9° |
| C8 | C14 | C15 | H6 | 1.1° | 5.5° |
| C14 | C8 | C7 | H25 | 147.9° | 151.0° |
| C14 | C8 | H26 | H27 | 117.4° | 118.0° |
| C8 | C7 | N3 | H25 | 118.8° | 116.6° |
| C8 | C7 | N3 | C12 | 62.2° | 63.6° |
| C8 | C7 | N3 | C6 | 65.8° | 60.9° |
| C7 | C8 | H26 | H27 | 117.4° | 118.1° |
| C7 | N3 | C12 | C11 | 55.3° | 60.6° |
| C7 | N3 | C12 | C6 | 129.2° | 124.5° |
| C7 | N3 | C6 | C5 | 60.8° | 170.0° |
| C7 | N3 | C12 | H4 | 64.9° | 59.4° |
| C7 | N3 | C12 | H5 | 175.5° | 179.4° |
| C7 | N3 | C6 | H23 | 59.7° | 70.0° |
| C7 | N3 | C6 | H24 | 178.7° | 50.0° |
| N3 | C7 | C8 | H26 | 146.5° | 147.1° |
| N3 | C7 | C8 | H27 | 28.1° | 29.1° |
| C11 | C12 | N3 | H4 | 120.2° | 120.0° |
| C11 | C12 | N3 | H5 | 120.2° | 120.0° |
| C11 | C12 | N3 | C6 | 175.5° | 174.9° |
| C12 | C11 | H2 | H3 | 118.8° | 120.3° |
| C11 | C12 | H4 | H5 | 119.3° | 119.9° |
| C12 | N3 | C6 | C5 | 170.5° | 65.1° |
| N3 | C12 | C11 | H2 | 170.2° | 177.1° |
| N3 | C12 | C11 | H3 | 70.6° | 62.6° |
| N3 | C12 | H4 | H5 | 119.4° | 120.0° |
| C12 | N3 | C6 | H23 | 69.0° | 54.9° |
| C12 | N3 | C6 | H24 | 50.0° | 174.9° |
| C12 | N3 | C7 | H25 | 179.0° | 179.8° |
| N3 | C6 | C5 | H23 | 120.5° | 120.0° |
| N3 | C6 | C5 | H24 | 120.5° | 120.1° |
| N3 | C6 | C5 | C4 | 179.1° | 180.0° |
| C6 | N3 | C12 | H4 | 64.3° | 65.1° |
| C6 | N3 | C12 | H5 | 55.3° | 54.9° |
| N3 | C6 | C5 | H21 | 58.5° | 60.0° |
| N3 | C6 | C5 | H22 | 60.3° | 60.0° |
| N3 | C6 | H23 | H24 | 118.5° | 120.0° |
| C6 | N3 | C7 | H25 | 53.0° | 55.7° |
| C6 | C5 | C4 | H21 | 120.6° | 120.0° |
| C6 | C5 | C4 | H22 | 120.6° | 120.1° |
| C6 | C5 | C4 | C3 | 57.1° | 180.0° |
| C6 | C5 | C4 | H19 | 177.8° | 60.0° |
| C6 | C5 | C4 | H20 | 63.6° | 59.9° |
| C6 | C5 | H21 | H22 | 118.1° | 120.0° |
| C5 | C6 | H23 | H24 | 118.5° | 120.0° |
| C5 | C4 | C3 | H19 | 120.7° | 120.0° |
| C5 | C4 | C3 | H20 | 120.7° | 120.0° |
| C5 | C4 | C3 | C2 | 165.0° | 180.0° |
| C5 | C4 | C3 | H17 | 74.4° | 60.0° |
| C5 | C4 | C3 | H18 | 44.3° | 60.0° |
| C5 | C4 | H19 | H20 | 117.8° | 119.9° |
| C4 | C5 | H21 | H22 | 118.2° | 119.9° |
| C4 | C5 | C6 | H23 | 60.4° | 60.0° |
| C4 | C5 | C6 | H24 | 58.6° | 60.0° |
| C4 | C3 | C2 | H17 | 120.6° | 120.1° |
| C4 | C3 | C2 | H18 | 120.6° | 120.0° |
| C4 | C3 | C2 | N2 | 61.4° | 180.0° |
| C4 | C3 | C2 | H9 | 177.9° | 60.0° |
| C4 | C3 | C2 | H10 | 59.2° | 59.9° |
| C4 | C3 | H17 | H18 | 118.1° | 120.0° |
| C3 | C4 | H19 | H20 | 117.8° | 120.0° |
| C3 | C4 | C5 | H21 | 63.5° | 60.0° |
| C3 | C4 | C5 | H22 | 177.7° | 60.0° |
| C3 | C2 | N2 | H9 | 120.6° | 120.0° |
| C3 | C2 | N2 | H10 | 120.7° | 120.0° |
| C3 | C2 | N2 | C1 | 122.6° | 180.0° |
| C3 | C2 | H9 | H10 | 117.9° | 120.0° |
| C2 | C3 | H17 | H18 | 118.1° | 119.9° |
| C2 | C3 | C4 | H19 | 44.3° | 60.0° |
| C2 | C3 | C4 | H20 | 74.3° | 60.0° |
| C3 | C2 | N2 | H30 | 57.3° | 0.0° |
| C2 | N2 | C1 | H30 | 180.0° | 180.0° |
| C2 | N2 | C1 | N5 | 174.3° | 180.0° |
| C2 | N2 | C1 | N1 | 5.0° | 0.0° |
| N2 | C2 | H9 | H10 | 117.9° | 120.0° |
| N2 | C2 | C3 | H17 | 59.2° | 59.9° |
| N2 | C2 | C3 | H18 | 177.9° | 60.0° |
| N2 | C1 | N5 | N1 | 179.4° | 180.0° |
| C1 | N2 | C2 | H9 | 2.0° | 60.0° |
| C1 | N2 | C2 | H10 | 116.7° | 60.0° |
| N2 | C1 | N1 | H28 | 179.4° | 180.0° |
| N2 | C1 | N1 | H29 | 0.7° | 0.0° |
| N2 | C1 | N5 | H32 | 179.4° | 180.0° |
| N5 | C1 | N1 | H28 | 0.0° | 0.0° |
| N5 | C1 | N1 | H29 | 180.0° | 180.0° |
| N5 | C1 | N2 | H30 | 5.7° | 0.0° |
| C1 | N1 | H28 | H29 | 180.0° | 180.0° |
| N1 | C1 | N2 | H30 | 174.9° | 180.0° |
| N1 | C1 | N5 | H32 | 0.0° | 0.1° |
| H2 | C11 | C12 | H4 | 50.0° | 57.0° |
| H2 | C11 | C12 | H5 | 69.5° | 62.9° |
| H3 | C11 | C12 | H4 | 169.2° | 177.3° |
| H3 | C11 | C12 | H5 | 49.7° | 57.4° |
| H6 | C15 | C16 | H7 | 0.1° | 1.2° |
| H9 | C2 | C3 | H17 | 61.5° | 60.1° |
| H9 | C2 | C3 | H18 | 57.3° | NaN° |
| H9 | C2 | N2 | H30 | 178.0° | 120.0° |
| H10 | C2 | C3 | H17 | 179.8° | 180.0° |
| H10 | C2 | C3 | H18 | 61.4° | 60.1° |
| H10 | C2 | N2 | H30 | 63.3° | 120.0° |
| H11 | C22 | C23 | H12 | 0.1° | 0.0° |
| H12 | C23 | C24 | H13 | 0.1° | 0.0° |
| H13 | C24 | C25 | H14 | 0.1° | 0.6° |
| H17 | C3 | C4 | H19 | 164.9° | 180.0° |
| H17 | C3 | C4 | H20 | 46.3° | 60.0° |
| H18 | C3 | C4 | H19 | 76.4° | 60.0° |
| H18 | C3 | C4 | H20 | 165.0° | NaN° |
| H19 | C4 | C5 | H21 | 57.2° | 180.0° |
| H19 | C4 | C5 | H22 | 61.6° | 60.1° |
| H20 | C4 | C5 | H21 | 175.8° | 60.1° |
| H20 | C4 | C5 | H22 | 57.0° | NaN° |
| H21 | C5 | C6 | H23 | 179.0° | 180.0° |
| H21 | C5 | C6 | H24 | 62.0° | 60.0° |
| H22 | C5 | C6 | H23 | 60.2° | 60.0° |
| H22 | C5 | C6 | H24 | 179.2° | 180.0° |
| H25 | C7 | C8 | H26 | 27.1° | 30.0° |
| H25 | C7 | C8 | H27 | 91.3° | 87.9° |
