5CY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N1 | sing | 1.46Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | O1 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C14 | sing | 1.39Å | 1.34Å | |
| N1 | C10 | sing | 1.37Å | 1.35Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.51Å | |
| C9 | C8 | sing | 1.41Å | 1.47Å | |
| C10 | C20 | sing | 1.51Å | 1.55Å | |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.36Å | 1.34Å | |
| C7 | C6 | sing | 1.40Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | N2 | sing | 1.47Å | 1.47Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| O2 | C25 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | doub | 1.36Å | 1.34Å | |
| C5 | C4 | sing | 1.40Å | 1.50Å | |
| N2 | C4 | doub | 1.31Å | 1.36Å | |
| N2 | C26 | sing | 1.36Å | 1.37Å | |
| C4 | C2 | sing | 1.52Å | 1.51Å | |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C31 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | doub | 1.37Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C5 | H36 | sing | 1.08Å | 1.08Å | |
| C6 | H37 | sing | 1.08Å | 1.08Å | |
| C7 | H38 | sing | 1.08Å | 1.08Å | |
| C8 | H39 | sing | 1.08Å | 1.08Å | |
| C9 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | N1 | 109.9° | 109.5° |
| C11 | C12 | C13 | 112.3° | 109.5° |
| C12 | C11 | H5 | 109.4° | 109.5° |
| C12 | C11 | H6 | 109.4° | 109.4° |
| C11 | C12 | H7 | 108.8° | 109.4° |
| C11 | C12 | H8 | 108.8° | 109.4° |
| C11 | N1 | C14 | 125.2° | 124.1° |
| C11 | N1 | C10 | 127.6° | 124.1° |
| N1 | C11 | H5 | 109.4° | 109.5° |
| N1 | C11 | H6 | 109.4° | 109.5° |
| C12 | C13 | O1 | 111.7° | 109.5° |
| C13 | C12 | H7 | 108.8° | 109.5° |
| C13 | C12 | H8 | 108.8° | 109.5° |
| C12 | C13 | H9 | 108.9° | 109.4° |
| C12 | C13 | H10 | 108.9° | 109.5° |
| C16 | C15 | C14 | 119.3° | 120.1° |
| C15 | C16 | C17 | 120.3° | 120.3° |
| C16 | C15 | H11 | 120.3° | 119.9° |
| C15 | C16 | H12 | 119.9° | 119.8° |
| C15 | C14 | N1 | 132.4° | 130.6° |
| C15 | C14 | C19 | 121.2° | 119.0° |
| C14 | C15 | H11 | 120.4° | 120.0° |
| C13 | O1 | H4 | 109.5° | 114.0° |
| O1 | C13 | H9 | 108.9° | 109.5° |
| O1 | C13 | H10 | 108.9° | 109.5° |
| C16 | C17 | C18 | 120.0° | 119.8° |
| C17 | C16 | H12 | 119.9° | 119.8° |
| C16 | C17 | H13 | 120.0° | 120.1° |
| C14 | N1 | C10 | 107.1° | 111.8° |
| N1 | C14 | C19 | 106.5° | 110.5° |
| N1 | C10 | C9 | 113.7° | 126.6° |
| N1 | C10 | C20 | 119.2° | 106.8° |
| C14 | C19 | C18 | 118.9° | 120.7° |
| C14 | C19 | C20 | 118.9° | 106.7° |
| C17 | C18 | C19 | 120.4° | 120.0° |
| C18 | C17 | H13 | 120.0° | 120.1° |
| C17 | C18 | H14 | 119.8° | 120.0° |
| C10 | C9 | C8 | 127.7° | 120.1° |
| C9 | C10 | C20 | 127.1° | 126.6° |
| C10 | C9 | H40 | 116.2° | 119.9° |
| C9 | C8 | C7 | 120.8° | 120.0° |
| C9 | C8 | H39 | 119.6° | 119.9° |
| C8 | C9 | H40 | 116.2° | 120.0° |
| C10 | C20 | C19 | 88.3° | 104.2° |
| C10 | C20 | C21 | 87.6° | 110.5° |
| C10 | C20 | C22 | 89.5° | 110.5° |
| C18 | C19 | C20 | 122.2° | 132.6° |
| C19 | C18 | H14 | 119.8° | 120.0° |
| C19 | C20 | C21 | 120.4° | 110.5° |
| C19 | C20 | C22 | 114.8° | 110.5° |
| C8 | C7 | C6 | 120.3° | 120.0° |
| C8 | C7 | H38 | 119.8° | 120.0° |
| C7 | C8 | H39 | 119.6° | 120.0° |
| C7 | C6 | C5 | 121.6° | 120.0° |
| C7 | C6 | H37 | 119.2° | 120.0° |
| C6 | C7 | H38 | 119.8° | 120.0° |
| C21 | C20 | C22 | 124.6° | 110.5° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C24 | C23 | N2 | 112.6° | 109.5° |
| C23 | C24 | C25 | 109.8° | 109.5° |
| C24 | C23 | H22 | 108.7° | 109.5° |
| C24 | C23 | H23 | 108.7° | 109.5° |
| C23 | C24 | H24 | 109.4° | 109.5° |
| C23 | C24 | H25 | 109.4° | 109.5° |
| C23 | N2 | C4 | 125.4° | 123.1° |
| C23 | N2 | C26 | 126.4° | 123.2° |
| N2 | C23 | H22 | 108.7° | 109.5° |
| N2 | C23 | H23 | 108.6° | 109.5° |
| C20 | C22 | H19 | 109.5° | 109.5° |
| C20 | C22 | H20 | 109.4° | 109.5° |
| C20 | C22 | H21 | 109.4° | 109.4° |
| C24 | C25 | O2 | 108.4° | 109.5° |
| C25 | C24 | H24 | 109.4° | 109.5° |
| C25 | C24 | H25 | 109.4° | 109.4° |
| C24 | C25 | H26 | 109.7° | 109.4° |
| C24 | C25 | H27 | 109.8° | 109.5° |
| C25 | O2 | H15 | 109.5° | 114.0° |
| O2 | C25 | H26 | 109.8° | 109.5° |
| O2 | C25 | H27 | 109.7° | 109.5° |
| C6 | C5 | C4 | 124.3° | 120.0° |
| C6 | C5 | H36 | 117.9° | 120.0° |
| C5 | C6 | H37 | 119.2° | 120.1° |
| C5 | C4 | N2 | 121.5° | 126.3° |
| C5 | C4 | C2 | 124.5° | 126.3° |
| C4 | C5 | H36 | 117.9° | 120.0° |
| C4 | N2 | C26 | 108.2° | 113.7° |
| N2 | C4 | C2 | 114.0° | 107.4° |
| N2 | C26 | C27 | 133.1° | 131.1° |
| N2 | C26 | C31 | 108.5° | 110.2° |
| C4 | C2 | C1 | 112.8° | 110.7° |
| C4 | C2 | C31 | 96.9° | 103.2° |
| C4 | C2 | C3 | 113.7° | 110.8° |
| C27 | C26 | C31 | 118.4° | 118.7° |
| C26 | C27 | C28 | 120.8° | 120.0° |
| C26 | C27 | H28 | 119.6° | 120.0° |
| C26 | C31 | C2 | 112.4° | 105.4° |
| C26 | C31 | C30 | 121.1° | 120.9° |
| C27 | C28 | C29 | 120.2° | 120.5° |
| C28 | C27 | H28 | 119.6° | 120.0° |
| C27 | C28 | H29 | 119.9° | 119.7° |
| C1 | C2 | C31 | 109.7° | 110.7° |
| C1 | C2 | C3 | 111.0° | 110.6° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C31 | C2 | C3 | 112.0° | 110.7° |
| C2 | C31 | C30 | 126.6° | 133.7° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.4° |
| C2 | C3 | H33 | 109.4° | 109.5° |
| C31 | C30 | C29 | 120.0° | 119.9° |
| C31 | C30 | H34 | 120.0° | 120.0° |
| C28 | C29 | C30 | 119.5° | 120.0° |
| C29 | C28 | H29 | 119.9° | 119.7° |
| C28 | C29 | H30 | 120.3° | 120.0° |
| C30 | C29 | H30 | 120.2° | 120.0° |
| C29 | C30 | H34 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.4° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.5° |
| H16 | C21 | H18 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.4° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | N1 | H5 | 120.1° | 120.0° |
| C12 | C11 | N1 | H6 | 120.1° | 120.0° |
| C11 | C12 | C13 | H7 | 120.4° | 120.0° |
| C11 | C12 | C13 | H8 | 120.4° | 120.0° |
| C11 | C12 | C13 | O1 | 128.8° | 180.0° |
| C12 | C11 | N1 | C14 | 78.9° | 90.0° |
| C12 | C11 | N1 | C10 | 101.8° | 90.3° |
| C12 | C11 | H5 | H6 | 119.8° | 119.9° |
| C11 | C12 | H7 | H8 | 118.7° | 119.9° |
| C11 | C12 | C13 | H9 | 110.9° | 60.0° |
| C11 | C12 | C13 | H10 | 8.4° | 60.0° |
| N1 | C11 | C12 | C13 | 86.8° | 180.0° |
| C11 | N1 | C14 | C15 | 0.4° | 0.3° |
| C11 | N1 | C14 | C10 | 179.4° | 179.7° |
| C11 | N1 | C14 | C19 | 179.5° | 179.7° |
| C11 | N1 | C10 | C9 | 1.1° | 0.3° |
| C11 | N1 | C10 | C20 | 179.3° | 179.7° |
| N1 | C11 | H5 | H6 | 119.8° | 120.0° |
| N1 | C11 | C12 | H7 | 33.7° | 60.0° |
| N1 | C11 | C12 | H8 | 152.8° | 60.0° |
| C12 | C13 | O1 | H9 | 120.3° | 120.0° |
| C12 | C13 | O1 | H10 | 120.3° | 120.0° |
| C12 | C13 | O1 | H4 | 180.0° | 180.0° |
| C13 | C12 | C11 | H5 | 33.3° | 59.9° |
| C13 | C12 | C11 | H6 | 153.2° | 60.0° |
| C13 | C12 | H7 | H8 | 118.7° | 120.0° |
| C12 | C13 | H9 | H10 | 119.0° | 120.0° |
| C16 | C15 | C14 | H11 | 180.0° | 179.9° |
| C15 | C16 | C17 | H12 | 180.0° | 179.9° |
| C16 | C15 | C14 | N1 | 179.8° | 180.0° |
| C16 | C15 | C14 | C19 | 0.2° | 0.1° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H13 | 179.8° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | N1 | C19 | 179.9° | 179.9° |
| C15 | C14 | N1 | C10 | 179.9° | 180.0° |
| C15 | C14 | C19 | C18 | 0.9° | 0.0° |
| C15 | C14 | C19 | C20 | 178.9° | 180.0° |
| C14 | C15 | C16 | H12 | 179.8° | 180.0° |
| O1 | C13 | C12 | H7 | 8.3° | 60.0° |
| O1 | C13 | C12 | H8 | 110.8° | 60.0° |
| O1 | C13 | H9 | H10 | 119.0° | 120.0° |
| C16 | C17 | C18 | H13 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.9° | 0.0° |
| C17 | C16 | C15 | H11 | 179.9° | 180.0° |
| C16 | C17 | C18 | H14 | 179.1° | 180.0° |
| C14 | N1 | C10 | C9 | 179.5° | 180.0° |
| C14 | N1 | C10 | C20 | 1.2° | 0.0° |
| N1 | C14 | C19 | C18 | 179.1° | 180.0° |
| N1 | C14 | C19 | C20 | 1.1° | 0.1° |
| C14 | N1 | C11 | H5 | 161.1° | 149.9° |
| C14 | N1 | C11 | H6 | 41.2° | 30.0° |
| N1 | C14 | C15 | H11 | 0.2° | 0.1° |
| C10 | N1 | C14 | C19 | 0.1° | 0.1° |
| N1 | C10 | C9 | C20 | 178.1° | 180.0° |
| N1 | C10 | C9 | C8 | 179.1° | 180.0° |
| N1 | C10 | C20 | C19 | 1.6° | 0.0° |
| N1 | C10 | C20 | C21 | 122.2° | 118.7° |
| N1 | C10 | C20 | C22 | 113.2° | 118.7° |
| C10 | N1 | C11 | H5 | 18.2° | 29.7° |
| C10 | N1 | C11 | H6 | 138.1° | 149.7° |
| N1 | C10 | C9 | H40 | 0.8° | 0.0° |
| C14 | C19 | C18 | C17 | 1.3° | 0.0° |
| C14 | C19 | C20 | C10 | 1.5° | 0.0° |
| C14 | C19 | C18 | C20 | 177.9° | 180.0° |
| C14 | C19 | C20 | C21 | 87.7° | 118.7° |
| C14 | C19 | C20 | C22 | 87.2° | 118.7° |
| C19 | C14 | C15 | H11 | 179.8° | 180.0° |
| C14 | C19 | C18 | H14 | 178.7° | 180.0° |
| C17 | C18 | C19 | H14 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.2° | 179.9° |
| C18 | C17 | C16 | H12 | 179.8° | 179.9° |
| C10 | C9 | C8 | H40 | 180.0° | 180.0° |
| C9 | C10 | C20 | C19 | 179.6° | 180.0° |
| C10 | C9 | C8 | C7 | 173.4° | 180.0° |
| C9 | C10 | C20 | C21 | 59.9° | 61.3° |
| C9 | C10 | C20 | C22 | 64.7° | 61.3° |
| C10 | C9 | C8 | H39 | 6.6° | 0.0° |
| C8 | C9 | C10 | C20 | 2.8° | 0.0° |
| C9 | C8 | C7 | H39 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 178.3° | 180.0° |
| C9 | C8 | C7 | H38 | 1.7° | 0.1° |
| C10 | C20 | C19 | C18 | 179.5° | 180.0° |
| C10 | C20 | C19 | C21 | 86.2° | 118.7° |
| C10 | C20 | C19 | C22 | 88.7° | 118.7° |
| C10 | C20 | C21 | C22 | 87.8° | 122.6° |
| C10 | C20 | C21 | H16 | 180.0° | 60.0° |
| C10 | C20 | C21 | H17 | 60.0° | 180.0° |
| C10 | C20 | C21 | H18 | 60.0° | 60.0° |
| C10 | C20 | C22 | H19 | 180.0° | 60.0° |
| C10 | C20 | C22 | H20 | 60.0° | 180.0° |
| C10 | C20 | C22 | H21 | 60.0° | 60.0° |
| C20 | C10 | C9 | H40 | 177.2° | 180.0° |
| C18 | C19 | C20 | C21 | 94.4° | 61.3° |
| C18 | C19 | C20 | C22 | 90.8° | 61.3° |
| C19 | C18 | C17 | H13 | 179.1° | 180.0° |
| C19 | C20 | C21 | C22 | 174.3° | 122.6° |
| C20 | C19 | C18 | H14 | 0.8° | 0.1° |
| C19 | C20 | C21 | H16 | 93.5° | 54.8° |
| C19 | C20 | C21 | H17 | 146.6° | 65.2° |
| C19 | C20 | C21 | H18 | 26.6° | 174.8° |
| C19 | C20 | C22 | H19 | 92.1° | 174.8° |
| C19 | C20 | C22 | H20 | 27.9° | 65.2° |
| C19 | C20 | C22 | H21 | 147.9° | 54.8° |
| C8 | C7 | C6 | H38 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 170.1° | 180.0° |
| C8 | C7 | C6 | H37 | 9.9° | 0.1° |
| C7 | C8 | C9 | H40 | 6.5° | 0.1° |
| C7 | C6 | C5 | H37 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 178.1° | 174.7° |
| C7 | C6 | C5 | H36 | 1.8° | 5.3° |
| C6 | C7 | C8 | H39 | 1.7° | 0.1° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H18 | 120.0° | 120.0° |
| C20 | C21 | H17 | H18 | 120.0° | 120.0° |
| C21 | C20 | C22 | H19 | 93.3° | 62.6° |
| C21 | C20 | C22 | H20 | 146.7° | 57.4° |
| C21 | C20 | C22 | H21 | 26.7° | 177.4° |
| C24 | C23 | N2 | H22 | 120.5° | 120.0° |
| C24 | C23 | N2 | H23 | 120.5° | 120.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H25 | 120.0° | 120.0° |
| C23 | C24 | C25 | O2 | 54.9° | 180.0° |
| C24 | C23 | N2 | C4 | 125.2° | 114.5° |
| C24 | C23 | N2 | C26 | 56.0° | 65.6° |
| C24 | C23 | H22 | H23 | 118.6° | 120.0° |
| C23 | C24 | H24 | H25 | 119.8° | 120.0° |
| C23 | C24 | C25 | H26 | 174.7° | 60.0° |
| C23 | C24 | C25 | H27 | 64.9° | 60.0° |
| N2 | C23 | C24 | C25 | 58.6° | 180.0° |
| C23 | N2 | C4 | C5 | 0.3° | 0.0° |
| C23 | N2 | C4 | C26 | 178.9° | 180.0° |
| C23 | N2 | C4 | C2 | 178.4° | 180.0° |
| C23 | N2 | C26 | C27 | 1.7° | 0.0° |
| C23 | N2 | C26 | C31 | 179.2° | 180.0° |
| N2 | C23 | H22 | H23 | 118.5° | 120.0° |
| N2 | C23 | C24 | H24 | 178.7° | 60.0° |
| N2 | C23 | C24 | H25 | 61.4° | 60.0° |
| C22 | C20 | C21 | H16 | 92.2° | 177.4° |
| C22 | C20 | C21 | H17 | 27.7° | 57.4° |
| C22 | C20 | C21 | H18 | 147.8° | 62.6° |
| C20 | C22 | H19 | H20 | 120.0° | 120.0° |
| C20 | C22 | H19 | H21 | 120.0° | 120.0° |
| C20 | C22 | H20 | H21 | 120.0° | 120.0° |
| C24 | C25 | O2 | H26 | 119.8° | 120.0° |
| C24 | C25 | O2 | H27 | 119.9° | 120.0° |
| C24 | C25 | O2 | H15 | 180.0° | 180.0° |
| C25 | C24 | C23 | H22 | 179.1° | 60.0° |
| C25 | C24 | C23 | H23 | 61.8° | 60.0° |
| C25 | C24 | H24 | H25 | 119.8° | 120.0° |
| C24 | C25 | H26 | H27 | 120.5° | 120.0° |
| O2 | C25 | C24 | H24 | 65.1° | 60.0° |
| O2 | C25 | C24 | H25 | 174.9° | 60.0° |
| O2 | C25 | H26 | H27 | 120.5° | 120.0° |
| C6 | C5 | C4 | H36 | 180.0° | 180.0° |
| C6 | C5 | C4 | N2 | 172.6° | 177.8° |
| C6 | C5 | C4 | C2 | 9.5° | 2.2° |
| C5 | C6 | C7 | H38 | 9.9° | 0.1° |
| C5 | C4 | N2 | C2 | 178.1° | 180.0° |
| C5 | C4 | N2 | C26 | 178.7° | 180.0° |
| C5 | C4 | C2 | C1 | 64.3° | 61.6° |
| C5 | C4 | C2 | C31 | 179.1° | 180.0° |
| C5 | C4 | C2 | C3 | 63.2° | 61.5° |
| C4 | C5 | C6 | H37 | 1.9° | 5.3° |
| C4 | N2 | C26 | C27 | 179.3° | 180.0° |
| C4 | N2 | C26 | C31 | 0.3° | 0.0° |
| N2 | C4 | C2 | C1 | 113.7° | 118.4° |
| N2 | C4 | C2 | C31 | 1.1° | 0.0° |
| N2 | C4 | C2 | C3 | 118.8° | 118.5° |
| C4 | N2 | C23 | H22 | 114.3° | 125.6° |
| C4 | N2 | C23 | H23 | 4.8° | 5.6° |
| N2 | C4 | C5 | H36 | 7.4° | 2.2° |
| C26 | N2 | C4 | C2 | 0.6° | 0.0° |
| N2 | C26 | C27 | C31 | 179.0° | 180.0° |
| N2 | C26 | C27 | C28 | 179.5° | 180.0° |
| N2 | C26 | C31 | C2 | 1.0° | 0.0° |
| N2 | C26 | C31 | C30 | 179.5° | 180.0° |
| C26 | N2 | C23 | H22 | 64.5° | 54.4° |
| C26 | N2 | C23 | H23 | 176.5° | 174.4° |
| N2 | C26 | C27 | H28 | 0.6° | 0.0° |
| C4 | C2 | C31 | C26 | 1.2° | 0.0° |
| C4 | C2 | C1 | C31 | 106.8° | 113.8° |
| C4 | C2 | C1 | C3 | 128.9° | 123.2° |
| C4 | C2 | C31 | C3 | 119.1° | 118.6° |
| C4 | C2 | C31 | C30 | 179.4° | 180.0° |
| C4 | C2 | C1 | H1 | 180.0° | 55.3° |
| C4 | C2 | C1 | H2 | 60.0° | 64.7° |
| C4 | C2 | C1 | H3 | 60.0° | 175.3° |
| C4 | C2 | C3 | H31 | 180.0° | 62.4° |
| C4 | C2 | C3 | H32 | 60.0° | 57.6° |
| C4 | C2 | C3 | H33 | 60.0° | 177.6° |
| C2 | C4 | C5 | H36 | 170.5° | 177.8° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C26 | C31 | C2 | 179.8° | 180.0° |
| C27 | C26 | C31 | C30 | 0.3° | 0.0° |
| C26 | C27 | C28 | C29 | 0.5° | 0.0° |
| C26 | C27 | C28 | H29 | 179.5° | 180.0° |
| C31 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C31 | C2 | C1 | 116.0° | 118.4° |
| C26 | C31 | C2 | C30 | 179.4° | 180.0° |
| C26 | C31 | C2 | C3 | 120.3° | 118.6° |
| C26 | C31 | C30 | C29 | 0.2° | 0.0° |
| C31 | C26 | C27 | H28 | 179.5° | 180.0° |
| C26 | C31 | C30 | H34 | 179.8° | 179.9° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.4° | 0.0° |
| C27 | C28 | C29 | H30 | 179.6° | 180.0° |
| C1 | C2 | C31 | C3 | 123.7° | 122.9° |
| C1 | C2 | C31 | C30 | 63.4° | 61.6° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H31 | 51.6° | 60.7° |
| C1 | C2 | C3 | H32 | 68.4° | 179.3° |
| C1 | C2 | C3 | H33 | 171.6° | 59.3° |
| C2 | C31 | C30 | C29 | 179.6° | 180.0° |
| C31 | C2 | C1 | H1 | 73.2° | 58.5° |
| C31 | C2 | C1 | H2 | 46.8° | 178.6° |
| C31 | C2 | C1 | H3 | 166.8° | 61.4° |
| C31 | C2 | C3 | H31 | 71.4° | 176.3° |
| C31 | C2 | C3 | H32 | 168.6° | 56.3° |
| C31 | C2 | C3 | H33 | 48.6° | 63.7° |
| C2 | C31 | C30 | H34 | 0.4° | 0.1° |
| C3 | C2 | C31 | C30 | 60.3° | 61.3° |
| C3 | C2 | C1 | H1 | 51.0° | 178.5° |
| C3 | C2 | C1 | H2 | 171.0° | 58.4° |
| C3 | C2 | C1 | H3 | 68.9° | 61.6° |
| C2 | C3 | H31 | H32 | 120.0° | 119.9° |
| C2 | C3 | H31 | H33 | 120.0° | 120.0° |
| C2 | C3 | H32 | H33 | 120.0° | 120.0° |
| C31 | C30 | C29 | C28 | 0.3° | 0.0° |
| C31 | C30 | C29 | H34 | 180.0° | 180.0° |
| C31 | C30 | C29 | H30 | 179.8° | 180.0° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| C29 | C28 | C27 | H28 | 179.5° | 180.0° |
| C28 | C29 | C30 | H34 | 179.7° | 179.9° |
| C30 | C29 | C28 | H29 | 179.6° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | O1 | C13 | H9 | 59.7° | 60.1° |
| H4 | O1 | C13 | H10 | 59.7° | 60.0° |
| H5 | C11 | C12 | H7 | 153.7° | 179.9° |
| H5 | C11 | C12 | H8 | 87.1° | 60.1° |
| H6 | C11 | C12 | H7 | 86.4° | 60.0° |
| H6 | C11 | C12 | H8 | 32.7° | 180.0° |
| H7 | C12 | C13 | H9 | 128.6° | 60.0° |
| H7 | C12 | C13 | H10 | 112.0° | 180.0° |
| H8 | C12 | C13 | H9 | 9.5° | 180.0° |
| H8 | C12 | C13 | H10 | 128.9° | 60.0° |
| H11 | C15 | C16 | H12 | 0.2° | 0.1° |
| H12 | C16 | C17 | H13 | 0.2° | 0.0° |
| H13 | C17 | C18 | H14 | 0.9° | 0.0° |
| H15 | O2 | C25 | H26 | 60.2° | 60.0° |
| H15 | O2 | C25 | H27 | 60.2° | 60.0° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H22 | C23 | C24 | H24 | 60.9° | 180.0° |
| H22 | C23 | C24 | H25 | 59.0° | 60.0° |
| H23 | C23 | C24 | H24 | 58.2° | 60.0° |
| H23 | C23 | C24 | H25 | 178.1° | 180.0° |
| H24 | C24 | C25 | H26 | 54.7° | 60.0° |
| H24 | C24 | C25 | H27 | 175.0° | 180.0° |
| H25 | C24 | C25 | H26 | 65.2° | 180.0° |
| H25 | C24 | C25 | H27 | 55.1° | 60.0° |
| H28 | C27 | C28 | H29 | 0.5° | 0.0° |
| H29 | C28 | C29 | H30 | 0.4° | 0.0° |
| H30 | C29 | C30 | H34 | 0.2° | 0.1° |
| H31 | C3 | H32 | H33 | 120.0° | 120.1° |
| H36 | C5 | C6 | H37 | 178.1° | 174.7° |
| H37 | C6 | C7 | H38 | 170.1° | 180.0° |
| H38 | C7 | C8 | H39 | 178.3° | 180.0° |
| H39 | C8 | C9 | H40 | 173.5° | 180.0° |
