YDA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C23 | doub | 1.31Å | 1.32Å | Aromatic |
| N8 | N9 | sing | 1.40Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | N9 | sing | 1.47Å | 1.46Å | |
| N9 | C25 | sing | 1.36Å | 1.36Å | Aromatic |
| C22 | C25 | doub | 1.36Å | 1.39Å | Aromatic |
| C22 | N7 | sing | 1.41Å | 1.39Å | |
| N7 | C21 | sing | 1.38Å | 1.37Å | |
| O1 | C5 | sing | 1.44Å | 1.46Å | |
| O1 | C4 | sing | 1.44Å | 1.46Å | |
| C21 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C3 | sing | 1.54Å | 1.55Å | |
| N10 | C26 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.54Å | 1.56Å | |
| N6 | C20 | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.45Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.48Å | 1.49Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.45Å | 1.47Å | |
| C28 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C16 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.52Å | 1.53Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C8 | sing | 1.52Å | 1.52Å | |
| C8 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | O2 | doub | 1.22Å | 1.23Å | |
| C9 | C10 | sing | 1.48Å | 1.47Å | |
| C10 | C15 | doub | 1.37Å | 1.37Å | Aromatic |
| C10 | N3 | sing | 1.34Å | 1.37Å | Aromatic |
| C15 | N5 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | N4 | doub | 1.29Å | 1.32Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.35Å | Aromatic |
| N5 | C11 | sing | 1.47Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C14 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| N2 | H34 | sing | 0.97Å | 1.00Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N8 | N9 | 104.6° | 108.4° |
| N8 | C23 | C22 | 111.9° | 108.3° |
| N8 | C23 | H30 | 124.0° | 125.8° |
| N8 | N9 | C24 | 117.1° | 126.0° |
| N8 | N9 | C25 | 112.3° | 107.9° |
| C23 | C22 | C25 | 105.5° | 107.9° |
| C23 | C22 | N7 | 125.3° | 126.1° |
| C22 | C23 | H30 | 124.0° | 125.8° |
| C24 | N9 | C25 | 130.5° | 126.1° |
| N9 | C24 | H16 | 109.5° | 109.5° |
| N9 | C24 | H17 | 109.5° | 109.5° |
| N9 | C24 | H18 | 109.4° | 109.5° |
| N9 | C25 | C22 | 105.7° | 107.5° |
| N9 | C25 | H31 | 127.2° | 126.2° |
| C25 | C22 | N7 | 129.3° | 126.1° |
| C22 | C25 | H31 | 127.2° | 126.2° |
| C22 | N7 | C21 | 128.5° | 120.0° |
| C22 | N7 | H35 | 115.7° | 120.0° |
| N7 | C21 | N10 | 115.8° | 119.2° |
| N7 | C21 | N6 | 120.7° | 119.1° |
| C21 | N7 | H35 | 115.8° | 120.0° |
| C5 | O1 | C4 | 89.2° | 93.3° |
| O1 | C5 | C3 | 87.5° | 85.5° |
| O1 | C5 | H4 | 114.6° | 113.9° |
| O1 | C5 | H5 | 114.6° | 114.0° |
| O1 | C4 | C3 | 87.2° | 85.5° |
| O1 | C4 | H2 | 114.7° | 113.9° |
| O1 | C4 | H3 | 114.7° | 114.0° |
| N10 | C21 | N6 | 123.5° | 121.7° |
| C21 | N10 | C26 | 117.2° | 121.0° |
| C21 | N6 | C20 | 118.7° | 120.6° |
| C5 | C3 | C4 | 82.5° | 85.8° |
| C5 | C3 | N1 | 116.3° | 113.8° |
| C3 | C5 | H4 | 114.7° | 113.9° |
| C3 | C5 | H5 | 114.7° | 113.8° |
| C5 | C3 | H33 | 112.3° | 113.8° |
| N10 | C26 | C27 | 123.5° | 119.3° |
| N10 | C26 | H19 | 118.3° | 120.4° |
| C4 | C3 | N1 | 116.0° | 113.8° |
| C3 | C4 | H2 | 114.7° | 113.9° |
| C3 | C4 | H3 | 114.7° | 113.9° |
| C4 | C3 | H33 | 112.2° | 113.9° |
| N6 | C20 | C27 | 121.0° | 119.0° |
| N6 | C20 | C19 | 116.4° | 120.5° |
| C3 | N1 | C2 | 114.7° | 111.0° |
| C3 | N1 | C6 | 111.3° | 111.0° |
| N1 | C3 | H33 | 113.9° | 113.1° |
| C26 | C27 | C20 | 116.1° | 118.4° |
| C27 | C26 | H19 | 118.3° | 120.3° |
| C26 | C27 | H32 | 121.9° | 120.8° |
| C27 | C20 | C19 | 122.6° | 120.5° |
| C20 | C27 | H32 | 122.0° | 120.8° |
| C20 | C19 | C28 | 120.6° | 120.1° |
| C20 | C19 | C18 | 122.0° | 120.1° |
| C2 | N1 | C6 | 110.7° | 112.7° |
| N1 | C2 | C1 | 112.0° | 108.6° |
| N1 | C2 | H28 | 108.8° | 109.6° |
| N1 | C2 | H29 | 108.8° | 109.6° |
| N1 | C6 | C7 | 113.7° | 114.6° |
| N1 | C6 | H6 | 108.4° | 108.5° |
| N1 | C6 | H7 | 108.4° | 108.5° |
| C19 | C28 | C1 | 122.4° | 119.5° |
| C28 | C19 | C18 | 117.2° | 119.8° |
| C19 | C28 | H20 | 118.8° | 120.3° |
| C28 | C1 | C2 | 120.2° | 119.6° |
| C28 | C1 | C16 | 119.8° | 120.3° |
| C1 | C28 | H20 | 118.8° | 120.2° |
| C19 | C18 | C17 | 120.8° | 119.9° |
| C19 | C18 | H27 | 119.6° | 120.0° |
| C2 | C1 | C16 | 120.0° | 120.1° |
| C1 | C2 | H28 | 108.8° | 109.6° |
| C1 | C2 | H29 | 108.9° | 109.6° |
| C1 | C16 | C17 | 118.6° | 120.6° |
| C1 | C16 | C8 | 119.3° | 119.7° |
| C6 | C7 | C8 | 117.0° | 110.8° |
| C7 | C6 | H6 | 108.4° | 108.4° |
| C7 | C6 | H7 | 108.4° | 108.5° |
| C6 | C7 | H8 | 107.6° | 109.3° |
| C6 | C7 | H9 | 107.6° | 109.2° |
| C18 | C17 | C16 | 121.2° | 119.7° |
| C18 | C17 | H15 | 119.4° | 120.1° |
| C17 | C18 | H27 | 119.6° | 120.0° |
| C7 | C8 | C16 | 109.9° | 108.2° |
| C7 | C8 | N2 | 107.0° | 109.8° |
| C8 | C7 | H8 | 107.6° | 109.2° |
| C8 | C7 | H9 | 107.6° | 109.2° |
| C7 | C8 | H10 | 109.2° | 109.7° |
| C17 | C16 | C8 | 122.1° | 119.7° |
| C16 | C17 | H15 | 119.4° | 120.2° |
| C16 | C8 | N2 | 111.2° | 109.7° |
| C16 | C8 | H10 | 109.3° | 109.7° |
| C8 | N2 | C9 | 122.9° | 120.1° |
| N2 | C8 | H10 | 110.2° | 109.7° |
| C8 | N2 | H34 | 118.6° | 119.9° |
| N2 | C9 | O2 | 122.4° | 120.0° |
| N2 | C9 | C10 | 116.2° | 120.0° |
| C9 | N2 | H34 | 118.5° | 120.0° |
| O2 | C9 | C10 | 121.4° | 120.0° |
| C9 | C10 | C15 | 130.6° | 125.8° |
| C9 | C10 | N3 | 121.6° | 125.8° |
| C15 | C10 | N3 | 107.8° | 108.5° |
| C10 | C15 | N5 | 105.0° | 106.8° |
| C10 | C15 | H14 | 127.5° | 126.6° |
| C10 | N3 | N4 | 109.2° | 109.5° |
| C15 | N5 | N4 | 111.1° | 106.8° |
| C15 | N5 | C11 | 127.1° | 126.6° |
| N5 | C15 | H14 | 127.5° | 126.6° |
| N3 | N4 | N5 | 106.8° | 108.4° |
| N4 | N5 | C11 | 121.8° | 126.6° |
| N5 | C11 | C12 | 110.1° | 109.5° |
| N5 | C11 | C14 | 109.2° | 109.5° |
| N5 | C11 | C13 | 110.0° | 109.4° |
| C12 | C11 | C14 | 108.8° | 109.5° |
| C12 | C11 | C13 | 108.6° | 109.5° |
| C11 | C12 | H21 | 109.5° | 109.4° |
| C11 | C12 | H22 | 109.5° | 109.5° |
| C11 | C12 | H23 | 109.5° | 109.4° |
| C14 | C11 | C13 | 110.1° | 109.5° |
| C11 | C14 | H24 | 109.5° | 109.5° |
| C11 | C14 | H25 | 109.4° | 109.5° |
| C11 | C14 | H26 | 109.4° | 109.5° |
| C11 | C13 | H11 | 109.5° | 109.5° |
| C11 | C13 | H12 | 109.5° | 109.5° |
| C11 | C13 | H13 | 109.4° | 109.5° |
| H2 | C4 | H3 | 109.5° | 113.0° |
| H4 | C5 | H5 | 109.5° | 113.0° |
| H6 | C6 | H7 | 109.5° | 108.2° |
| H8 | C7 | H9 | 109.5° | 109.2° |
| H11 | C13 | H12 | 109.4° | 109.5° |
| H11 | C13 | H13 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.4° |
| H16 | C24 | H18 | 109.5° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H21 | C12 | H23 | 109.5° | 109.4° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H26 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H28 | C2 | H29 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C23 | C22 | H30 | 180.0° | 180.0° |
| C23 | N8 | N9 | C24 | 179.2° | 180.0° |
| C23 | N8 | N9 | C25 | 0.8° | 0.4° |
| N8 | C23 | C22 | C25 | 1.3° | 0.0° |
| N8 | C23 | C22 | N7 | 179.7° | 179.7° |
| N9 | N8 | C23 | C22 | 1.3° | 0.3° |
| N8 | N9 | C24 | C25 | 178.1° | 179.4° |
| N8 | N9 | C25 | C22 | 0.0° | 0.5° |
| N8 | N9 | C24 | H16 | 0.0° | 90.0° |
| N8 | N9 | C24 | H17 | 120.0° | 150.1° |
| N8 | N9 | C24 | H18 | 120.0° | 30.0° |
| N9 | N8 | C23 | H30 | 178.7° | 179.7° |
| N8 | N9 | C25 | H31 | 179.9° | 179.6° |
| C23 | C22 | C25 | N9 | 0.8° | 0.3° |
| C23 | C22 | C25 | N7 | 178.2° | 179.7° |
| C23 | C22 | N7 | C21 | 176.8° | 0.3° |
| C23 | C22 | C25 | H31 | 179.2° | 179.8° |
| C23 | C22 | N7 | H35 | 3.2° | 179.7° |
| C24 | N9 | C25 | C22 | 178.1° | 180.0° |
| N9 | C24 | H16 | H17 | 120.0° | 120.0° |
| N9 | C24 | H16 | H18 | 120.0° | 120.0° |
| N9 | C24 | H17 | H18 | 120.0° | 120.1° |
| C24 | N9 | C25 | H31 | 1.9° | 0.1° |
| N9 | C25 | C22 | H31 | 180.0° | 179.9° |
| N9 | C25 | C22 | N7 | 179.0° | 180.0° |
| C25 | N9 | C24 | H16 | 178.1° | 89.5° |
| C25 | N9 | C24 | H17 | 61.9° | 30.5° |
| C25 | N9 | C24 | H18 | 58.1° | 150.6° |
| C25 | C22 | N7 | C21 | 1.1° | 180.0° |
| C25 | C22 | C23 | H30 | 178.6° | 180.0° |
| C25 | C22 | N7 | H35 | 178.9° | 0.1° |
| C22 | N7 | C21 | H35 | 180.0° | 180.0° |
| C22 | N7 | C21 | N10 | 177.7° | 0.0° |
| C22 | N7 | C21 | N6 | 2.5° | 179.7° |
| N7 | C22 | C23 | H30 | 0.3° | 0.3° |
| N7 | C22 | C25 | H31 | 1.0° | 0.1° |
| N7 | C21 | N10 | N6 | 179.7° | 179.7° |
| N7 | C21 | N10 | C26 | 179.4° | 180.0° |
| N7 | C21 | N6 | C20 | 179.8° | 179.7° |
| O1 | C5 | C3 | H4 | 116.0° | 114.1° |
| O1 | C5 | C3 | H5 | 116.0° | 114.3° |
| C5 | O1 | C4 | C3 | 28.1° | 24.2° |
| O1 | C5 | C3 | N1 | 88.7° | 136.8° |
| C5 | O1 | C4 | H2 | 87.9° | 90.0° |
| C5 | O1 | C4 | H3 | 144.1° | 138.4° |
| O1 | C5 | H4 | H5 | 130.4° | 132.1° |
| O1 | C5 | C3 | H33 | 137.5° | 91.7° |
| O1 | C4 | C3 | H2 | 116.0° | 114.2° |
| O1 | C4 | C3 | H3 | 116.0° | 114.3° |
| O1 | C4 | C3 | N1 | 89.1° | 136.8° |
| O1 | C4 | H2 | H3 | 130.6° | 132.1° |
| C4 | O1 | C5 | H4 | 144.3° | 138.4° |
| C4 | O1 | C5 | H5 | 87.8° | 90.0° |
| O1 | C4 | C3 | H33 | 137.6° | 91.6° |
| N10 | C21 | N6 | C20 | 0.0° | 0.0° |
| C21 | N10 | C26 | C27 | 0.2° | 0.6° |
| C21 | N10 | C26 | H19 | 179.8° | 180.0° |
| N10 | C21 | N7 | H35 | 2.3° | 180.0° |
| N6 | C21 | N10 | C26 | 0.3° | 0.3° |
| C21 | N6 | C20 | C27 | 0.9° | 0.0° |
| C21 | N6 | C20 | C19 | 176.5° | 179.8° |
| N6 | C21 | N7 | H35 | 177.4° | 0.3° |
| C5 | C3 | C4 | N1 | 115.7° | 114.2° |
| C5 | C3 | C4 | H33 | 111.0° | 114.2° |
| C5 | C3 | N1 | H33 | 133.0° | 131.8° |
| C5 | C3 | N1 | C2 | 79.8° | 30.2° |
| C5 | C3 | N1 | C6 | 153.4° | 96.0° |
| C5 | C3 | C4 | H2 | 89.4° | 91.6° |
| C5 | C3 | C4 | H3 | 142.6° | 136.9° |
| C3 | C5 | H4 | H5 | 130.5° | 132.0° |
| N10 | C26 | C27 | H19 | 180.0° | 179.4° |
| N10 | C26 | C27 | C20 | 1.1° | 0.5° |
| N10 | C26 | C27 | H32 | 178.9° | 179.4° |
| C4 | C3 | N1 | H33 | 132.5° | 132.0° |
| C4 | C3 | N1 | C2 | 174.3° | 66.0° |
| C4 | C3 | N1 | C6 | 59.0° | 167.8° |
| C3 | C4 | H2 | H3 | 130.6° | 132.0° |
| C4 | C3 | C5 | H4 | 142.6° | 136.7° |
| C4 | C3 | C5 | H5 | 89.5° | 91.7° |
| N6 | C20 | C27 | C26 | 1.4° | 0.2° |
| N6 | C20 | C27 | C19 | 177.2° | 179.8° |
| N6 | C20 | C19 | C28 | 28.4° | 0.3° |
| N6 | C20 | C19 | C18 | 147.8° | 179.7° |
| N6 | C20 | C27 | H32 | 178.6° | 179.7° |
| C3 | N1 | C2 | C6 | 127.1° | 125.2° |
| C3 | N1 | C2 | C1 | 145.4° | 148.2° |
| C3 | N1 | C6 | C7 | 166.8° | 165.6° |
| N1 | C3 | C4 | H2 | 154.9° | 22.7° |
| N1 | C3 | C4 | H3 | 26.9° | 108.9° |
| N1 | C3 | C5 | H4 | 27.3° | 109.0° |
| N1 | C3 | C5 | H5 | 155.2° | 22.5° |
| C3 | N1 | C6 | H6 | 72.5° | 73.1° |
| C3 | N1 | C6 | H7 | 46.2° | 44.2° |
| C3 | N1 | C2 | H28 | 25.0° | 28.5° |
| C3 | N1 | C2 | H29 | 94.2° | 92.0° |
| C26 | C27 | C20 | H32 | 180.0° | 179.9° |
| C26 | C27 | C20 | C19 | 175.8° | 180.0° |
| C27 | C20 | C19 | C28 | 154.2° | 180.0° |
| C27 | C20 | C19 | C18 | 29.6° | 0.1° |
| C20 | C27 | C26 | H19 | 178.9° | 179.9° |
| C20 | C19 | C28 | C18 | 176.4° | 180.0° |
| C20 | C19 | C28 | C1 | 175.8° | 180.0° |
| C20 | C19 | C18 | C17 | 177.8° | 179.9° |
| C20 | C19 | C28 | H20 | 4.3° | 0.0° |
| C20 | C19 | C18 | H27 | 2.2° | 0.1° |
| C19 | C20 | C27 | H32 | 4.2° | 0.1° |
| N1 | C2 | C1 | C28 | 108.9° | 109.7° |
| N1 | C2 | C1 | H28 | 120.4° | 119.7° |
| N1 | C2 | C1 | H29 | 120.4° | 119.7° |
| N1 | C2 | C1 | C16 | 74.4° | 70.5° |
| C2 | N1 | C6 | C7 | 64.3° | 69.2° |
| C2 | N1 | C6 | H6 | 56.4° | 52.1° |
| C2 | N1 | C6 | H7 | 175.1° | 169.4° |
| N1 | C2 | H28 | H29 | 118.8° | 120.4° |
| C2 | N1 | C3 | H33 | 53.2° | 162.0° |
| C6 | N1 | C2 | C1 | 87.6° | 86.6° |
| N1 | C6 | C7 | H6 | 120.6° | 121.3° |
| N1 | C6 | C7 | H7 | 120.6° | 121.4° |
| N1 | C6 | C7 | C8 | 65.3° | 67.8° |
| N1 | C6 | H6 | H7 | 118.1° | 117.5° |
| N1 | C6 | C7 | H8 | 173.6° | 171.8° |
| N1 | C6 | C7 | H9 | 55.8° | 52.5° |
| C6 | N1 | C2 | H28 | 152.1° | 153.7° |
| C6 | N1 | C2 | H29 | 32.8° | 33.2° |
| C6 | N1 | C3 | H33 | 73.5° | 35.8° |
| C19 | C28 | C1 | H20 | 180.0° | 179.9° |
| C19 | C28 | C1 | C2 | 179.5° | 179.7° |
| C19 | C28 | C1 | C16 | 2.8° | 0.1° |
| C28 | C19 | C18 | C17 | 1.5° | 0.0° |
| C28 | C19 | C18 | H27 | 178.5° | 179.9° |
| C1 | C28 | C19 | C18 | 0.6° | 0.0° |
| C28 | C1 | C2 | C16 | 176.7° | 179.8° |
| C28 | C1 | C16 | C17 | 2.8° | 0.2° |
| C28 | C1 | C16 | C8 | 179.9° | 179.7° |
| C28 | C1 | C2 | H28 | 11.5° | 10.1° |
| C28 | C1 | C2 | H29 | 130.7° | 130.6° |
| C19 | C18 | C17 | H27 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.4° | 0.0° |
| C19 | C18 | C17 | H15 | 178.6° | 180.0° |
| C18 | C19 | C28 | H20 | 179.4° | 179.9° |
| C2 | C1 | C16 | C17 | 179.5° | 179.6° |
| C2 | C1 | C16 | C8 | 3.2° | 0.5° |
| C2 | C1 | C28 | H20 | 0.5° | 0.4° |
| C1 | C2 | H28 | H29 | 118.9° | 120.5° |
| C1 | C16 | C17 | C18 | 0.7° | 0.1° |
| C1 | C16 | C8 | C7 | 61.8° | 68.9° |
| C1 | C16 | C17 | C8 | 177.2° | 179.9° |
| C1 | C16 | C8 | N2 | 180.0° | 171.3° |
| C1 | C16 | C8 | H10 | 58.1° | 50.7° |
| C1 | C16 | C17 | H15 | 179.3° | 179.9° |
| C16 | C1 | C28 | H20 | 177.2° | 179.8° |
| C16 | C1 | C2 | H28 | 165.2° | 169.7° |
| C16 | C1 | C2 | H29 | 46.0° | 49.2° |
| C6 | C7 | C8 | H8 | 121.1° | 120.4° |
| C6 | C7 | C8 | H9 | 121.1° | 120.3° |
| C6 | C7 | C8 | C16 | 81.1° | 84.5° |
| C6 | C7 | C8 | N2 | 158.1° | 155.8° |
| C7 | C6 | H6 | H7 | 118.1° | 117.5° |
| C6 | C7 | H8 | H9 | 116.6° | 119.3° |
| C6 | C7 | C8 | H10 | 38.9° | 35.1° |
| C18 | C17 | C16 | H15 | 180.0° | 180.0° |
| C18 | C17 | C16 | C8 | 177.9° | 179.7° |
| C7 | C8 | C16 | C17 | 115.4° | 110.9° |
| C7 | C8 | C16 | N2 | 118.3° | 119.7° |
| C7 | C8 | C16 | H10 | 119.9° | 119.6° |
| C7 | C8 | N2 | H10 | 118.6° | 120.6° |
| C7 | C8 | N2 | C9 | 159.6° | 154.9° |
| C8 | C7 | C6 | H6 | 55.3° | 53.5° |
| C8 | C7 | C6 | H7 | 174.0° | 170.8° |
| C8 | C7 | H8 | H9 | 116.6° | 119.3° |
| C7 | C8 | N2 | H34 | 20.4° | 25.0° |
| C17 | C16 | C8 | N2 | 2.9° | 8.8° |
| C17 | C16 | C8 | H10 | 124.7° | 129.4° |
| C16 | C17 | C18 | H27 | 178.6° | 180.0° |
| C16 | C8 | N2 | H10 | 121.4° | 120.6° |
| C16 | C8 | N2 | C9 | 80.4° | 86.3° |
| C16 | C8 | C7 | H8 | 157.8° | 155.1° |
| C16 | C8 | C7 | H9 | 40.0° | 35.8° |
| C8 | C16 | C17 | H15 | 2.1° | 0.2° |
| C16 | C8 | N2 | H34 | 99.6° | 93.8° |
| C8 | N2 | C9 | H34 | 180.0° | 179.9° |
| C8 | N2 | C9 | O2 | 5.9° | 0.1° |
| C8 | N2 | C9 | C10 | 174.4° | 179.9° |
| N2 | C8 | C7 | H8 | 37.0° | 35.4° |
| N2 | C8 | C7 | H9 | 80.8° | 84.0° |
| N2 | C9 | O2 | C10 | 179.6° | 180.0° |
| N2 | C9 | C10 | C15 | 25.2° | 179.9° |
| N2 | C9 | C10 | N3 | 154.7° | 0.1° |
| C9 | N2 | C8 | H10 | 41.0° | 34.3° |
| O2 | C9 | C10 | C15 | 155.2° | 0.1° |
| O2 | C9 | C10 | N3 | 24.9° | 179.9° |
| O2 | C9 | N2 | H34 | 174.1° | 180.0° |
| C9 | C10 | C15 | N3 | 179.9° | 179.9° |
| C9 | C10 | C15 | N5 | 179.8° | 179.9° |
| C9 | C10 | N3 | N4 | 179.0° | 179.9° |
| C9 | C10 | C15 | H14 | 0.2° | 0.1° |
| C10 | C9 | N2 | H34 | 5.6° | 0.1° |
| C10 | C15 | N5 | H14 | 180.0° | 179.9° |
| C15 | C10 | N3 | N4 | 1.0° | 0.1° |
| C10 | C15 | N5 | N4 | 1.2° | 0.1° |
| C10 | C15 | N5 | C11 | 179.7° | 180.0° |
| N3 | C10 | C15 | N5 | 0.1° | 0.1° |
| C10 | N3 | N4 | N5 | 1.8° | 0.0° |
| N3 | C10 | C15 | H14 | 179.9° | 180.0° |
| C15 | N5 | N4 | N3 | 1.9° | 0.0° |
| C15 | N5 | N4 | C11 | 179.1° | 179.9° |
| C15 | N5 | C11 | C12 | 13.5° | 45.0° |
| C15 | N5 | C11 | C14 | 105.9° | 164.9° |
| C15 | N5 | C11 | C13 | 133.1° | 75.0° |
| N3 | N4 | N5 | C11 | 179.0° | 180.0° |
| N4 | N5 | C11 | C12 | 165.5° | 135.0° |
| N4 | N5 | C11 | C14 | 75.1° | 15.0° |
| N4 | N5 | C11 | C13 | 45.8° | 105.0° |
| N4 | N5 | C15 | H14 | 178.8° | 180.0° |
| N5 | C11 | C12 | C14 | 119.7° | 120.0° |
| N5 | C11 | C12 | C13 | 120.5° | 120.0° |
| N5 | C11 | C14 | C13 | 120.9° | 120.0° |
| N5 | C11 | C13 | H11 | 180.0° | 60.0° |
| N5 | C11 | C13 | H12 | 60.0° | 60.0° |
| N5 | C11 | C13 | H13 | 60.0° | 180.0° |
| C11 | N5 | C15 | H14 | 0.3° | 0.1° |
| N5 | C11 | C12 | H21 | 180.0° | 180.0° |
| N5 | C11 | C12 | H22 | 60.0° | 60.0° |
| N5 | C11 | C12 | H23 | 60.0° | 60.0° |
| N5 | C11 | C14 | H24 | 180.0° | 60.0° |
| N5 | C11 | C14 | H25 | 60.0° | 60.0° |
| N5 | C11 | C14 | H26 | 60.0° | 180.0° |
| C12 | C11 | C14 | C13 | 118.9° | 120.0° |
| C12 | C11 | C13 | H11 | 59.4° | 59.9° |
| C12 | C11 | C13 | H12 | 179.4° | 180.0° |
| C12 | C11 | C13 | H13 | 60.6° | 60.0° |
| C11 | C12 | H21 | H22 | 120.0° | 120.0° |
| C11 | C12 | H21 | H23 | 120.0° | 119.9° |
| C11 | C12 | H22 | H23 | 120.0° | 120.0° |
| C12 | C11 | C14 | H24 | 59.8° | 180.0° |
| C12 | C11 | C14 | H25 | 60.2° | 60.0° |
| C12 | C11 | C14 | H26 | 179.8° | 60.0° |
| C14 | C11 | C13 | H11 | 59.6° | 180.0° |
| C14 | C11 | C13 | H12 | 60.4° | 60.0° |
| C14 | C11 | C13 | H13 | 179.6° | 60.0° |
| C14 | C11 | C12 | H21 | 60.3° | 60.0° |
| C14 | C11 | C12 | H22 | 179.7° | 60.0° |
| C14 | C11 | C12 | H23 | 59.7° | 180.0° |
| C11 | C14 | H24 | H25 | 120.0° | 120.0° |
| C11 | C14 | H24 | H26 | 120.0° | 120.0° |
| C11 | C14 | H25 | H26 | 120.0° | 120.0° |
| C11 | C13 | H11 | H12 | 120.0° | 120.1° |
| C11 | C13 | H11 | H13 | 120.0° | 120.0° |
| C11 | C13 | H12 | H13 | 120.0° | 120.0° |
| C13 | C11 | C12 | H21 | 59.5° | 60.0° |
| C13 | C11 | C12 | H22 | 60.5° | 179.9° |
| C13 | C11 | C12 | H23 | 179.5° | 59.9° |
| C13 | C11 | C14 | H24 | 59.1° | 60.0° |
| C13 | C11 | C14 | H25 | 179.1° | 180.0° |
| C13 | C11 | C14 | H26 | 60.9° | 60.0° |
| H2 | C4 | C3 | H33 | 21.6° | 154.2° |
| H3 | C4 | C3 | H33 | 106.4° | 22.7° |
| H4 | C5 | C3 | H33 | 106.5° | 22.4° |
| H5 | C5 | C3 | H33 | 21.4° | 154.0° |
| H6 | C6 | C7 | H8 | 65.8° | 66.9° |
| H6 | C6 | C7 | H9 | 176.4° | 173.8° |
| H7 | C6 | C7 | H8 | 53.0° | 50.4° |
| H7 | C6 | C7 | H9 | 64.9° | 68.9° |
| H8 | C7 | C8 | H10 | 82.2° | 85.3° |
| H9 | C7 | C8 | H10 | 160.0° | 155.4° |
| H10 | C8 | N2 | H34 | 139.0° | 145.6° |
| H11 | C13 | H12 | H13 | 120.0° | 119.9° |
| H15 | C17 | C18 | H27 | 1.5° | 0.0° |
| H16 | C24 | H17 | H18 | 120.0° | 119.9° |
| H19 | C26 | C27 | H32 | 1.1° | 0.0° |
| H21 | C12 | H22 | H23 | 120.0° | 120.0° |
| H24 | C14 | H25 | H26 | 120.0° | 120.0° |
