C5R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.50Å | 1.52Å | |
| C14 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C16 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.52Å | 1.55Å | |
| C5 | C17 | sing | 1.53Å | 1.54Å | |
| C4 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C19 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C18 | C19 | sing | 1.52Å | 1.52Å | |
| N1 | C21 | sing | 1.46Å | 1.45Å | |
| O2 | C22 | doub | 1.21Å | 1.26Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C22 | O3 | sing | 1.34Å | 1.24Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C24 | C27 | doub | 1.34Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.46Å | 1.39Å | Aromatic |
| C27 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| C25 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.41Å | Aromatic |
| N2 | C26 | sing | 1.38Å | 1.36Å | Aromatic |
| C26 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.10Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.12Å | 1.10Å | |
| C16 | H35 | sing | 1.08Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C15 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C12 | 112.9° | 109.5° |
| C11 | C10 | C9 | 110.4° | 109.5° |
| C11 | C10 | H4 | 107.6° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.4° |
| C10 | C11 | H6 | 109.5° | 109.4° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C12 | C10 | C9 | 110.4° | 109.5° |
| C12 | C10 | H4 | 107.5° | 109.5° |
| C10 | C12 | H8 | 109.5° | 109.4° |
| C10 | C12 | H9 | 109.5° | 109.5° |
| C10 | C12 | H10 | 109.5° | 109.5° |
| C10 | C9 | C13 | 120.9° | 120.1° |
| C10 | C9 | C8 | 120.3° | 120.0° |
| C9 | C10 | H4 | 108.0° | 109.4° |
| C13 | C9 | C8 | 118.7° | 119.9° |
| C9 | C13 | C14 | 122.3° | 120.8° |
| C9 | C13 | H11 | 118.8° | 119.8° |
| C9 | C8 | C7 | 119.5° | 119.6° |
| C9 | C8 | H3 | 120.3° | 120.3° |
| C13 | C14 | C15 | 117.8° | 117.2° |
| C13 | C14 | C6 | 119.3° | 119.0° |
| C14 | C13 | H11 | 118.8° | 119.5° |
| C8 | C7 | C6 | 122.5° | 120.4° |
| C8 | C7 | H2 | 118.8° | 119.2° |
| C7 | C8 | H3 | 120.3° | 120.1° |
| C15 | C14 | C6 | 122.9° | 123.7° |
| C14 | C15 | C16 | 114.6° | 112.3° |
| C14 | C15 | H37 | 108.2° | 109.1° |
| C14 | C15 | H38 | 108.2° | 109.1° |
| C14 | C6 | C7 | 117.7° | 120.3° |
| C14 | C6 | C5 | 121.6° | 121.1° |
| C15 | C16 | C4 | 109.0° | 108.1° |
| C15 | C16 | H35 | 109.6° | 109.8° |
| C15 | C16 | H36 | 109.6° | 108.3° |
| C16 | C15 | H37 | 108.2° | 108.8° |
| C16 | C15 | H38 | 108.2° | 108.8° |
| C7 | C6 | C5 | 120.7° | 118.6° |
| C6 | C7 | H2 | 118.7° | 120.4° |
| C20 | C5 | C6 | 104.3° | 106.6° |
| C20 | C5 | C4 | 115.9° | 112.4° |
| C20 | C5 | C17 | 109.4° | 108.9° |
| C5 | C20 | H31 | 109.5° | 109.5° |
| C5 | C20 | H32 | 109.5° | 109.5° |
| C5 | C20 | H33 | 109.5° | 109.5° |
| C6 | C5 | C4 | 108.9° | 108.3° |
| C6 | C5 | C17 | 109.3° | 110.1° |
| C16 | C4 | C5 | 112.1° | 109.3° |
| C16 | C4 | C2 | 113.8° | 113.5° |
| C16 | C4 | H34 | 104.3° | 105.5° |
| C4 | C16 | H35 | 109.6° | 112.1° |
| C4 | C16 | H36 | 109.6° | 110.1° |
| C4 | C5 | C17 | 108.8° | 110.5° |
| C5 | C4 | C2 | 116.4° | 115.7° |
| C5 | C4 | H34 | 104.2° | 105.9° |
| C5 | C17 | C18 | 112.8° | 109.4° |
| C5 | C17 | H29 | 108.6° | 109.5° |
| C5 | C17 | H30 | 108.6° | 109.6° |
| C4 | C2 | C3 | 116.0° | 112.7° |
| C4 | C2 | C1 | 106.4° | 108.2° |
| C4 | C2 | C19 | 108.2° | 111.8° |
| C2 | C4 | H34 | 104.3° | 106.1° |
| C3 | C2 | C1 | 106.9° | 107.2° |
| C3 | C2 | C19 | 110.1° | 110.1° |
| C2 | C3 | H22 | 109.5° | 109.5° |
| C2 | C3 | H23 | 109.5° | 109.4° |
| C2 | C3 | H24 | 109.5° | 109.5° |
| C17 | C18 | C19 | 111.9° | 110.0° |
| C17 | C18 | H27 | 108.8° | 108.5° |
| C17 | C18 | H28 | 108.8° | 111.0° |
| C18 | C17 | H29 | 108.7° | 109.7° |
| C18 | C17 | H30 | 108.7° | 109.3° |
| C1 | C2 | C19 | 109.0° | 106.5° |
| C2 | C1 | O1 | 119.8° | 120.0° |
| C2 | C1 | N1 | 117.5° | 120.0° |
| C2 | C19 | C18 | 113.0° | 112.1° |
| C2 | C19 | H25 | 108.6° | 109.0° |
| C2 | C19 | H26 | 108.6° | 109.0° |
| O1 | C1 | N1 | 122.6° | 120.0° |
| C1 | N1 | C21 | 125.0° | 120.0° |
| C1 | N1 | H1 | 117.5° | 120.0° |
| C18 | C19 | H25 | 108.6° | 109.2° |
| C18 | C19 | H26 | 108.6° | 109.2° |
| C19 | C18 | H27 | 108.9° | 108.7° |
| C19 | C18 | H28 | 108.9° | 110.6° |
| N1 | C21 | C22 | 107.4° | 109.5° |
| N1 | C21 | C23 | 115.9° | 109.5° |
| C21 | N1 | H1 | 117.5° | 120.0° |
| N1 | C21 | H14 | 107.8° | 109.5° |
| O2 | C22 | C21 | 118.6° | 120.0° |
| O2 | C22 | O3 | 124.7° | 120.0° |
| C21 | C22 | O3 | 116.7° | 120.0° |
| C22 | C21 | C23 | 111.4° | 109.5° |
| C22 | C21 | H14 | 107.1° | 109.5° |
| C22 | O3 | H13 | 109.5° | 117.0° |
| C21 | C23 | C24 | 113.1° | 109.5° |
| C23 | C21 | H14 | 106.8° | 109.4° |
| C21 | C23 | H15 | 108.5° | 109.5° |
| C21 | C23 | H16 | 108.5° | 109.5° |
| C23 | C24 | C27 | 125.7° | 126.5° |
| C23 | C24 | C25 | 129.0° | 126.5° |
| C24 | C23 | H15 | 108.6° | 109.4° |
| C24 | C23 | H16 | 108.6° | 109.4° |
| C27 | C24 | C25 | 105.4° | 107.0° |
| C24 | C27 | N2 | 108.8° | 109.9° |
| C24 | C27 | H17 | 125.6° | 125.0° |
| C24 | C25 | C28 | 129.9° | 134.0° |
| C24 | C25 | C26 | 110.2° | 106.1° |
| C27 | N2 | C26 | 109.7° | 109.9° |
| C27 | N2 | H12 | 125.2° | 125.1° |
| N2 | C27 | H17 | 125.6° | 125.0° |
| C28 | C25 | C26 | 119.9° | 119.9° |
| C25 | C28 | C29 | 121.9° | 119.8° |
| C25 | C28 | H21 | 119.0° | 120.1° |
| C25 | C26 | N2 | 106.0° | 107.1° |
| C25 | C26 | C31 | 119.0° | 119.3° |
| C28 | C29 | C30 | 118.5° | 120.5° |
| C28 | C29 | H20 | 120.7° | 119.7° |
| C29 | C28 | H21 | 119.1° | 120.1° |
| N2 | C26 | C31 | 134.9° | 133.5° |
| C26 | N2 | H12 | 125.2° | 125.0° |
| C26 | C31 | C30 | 121.3° | 119.8° |
| C26 | C31 | H18 | 119.4° | 120.1° |
| C29 | C30 | C31 | 119.3° | 120.6° |
| C29 | C30 | H19 | 120.4° | 119.7° |
| C30 | C29 | H20 | 120.7° | 119.7° |
| C30 | C31 | H18 | 119.3° | 120.1° |
| C31 | C30 | H19 | 120.3° | 119.7° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.4° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.4° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H22 | C3 | H24 | 109.5° | 109.5° |
| H23 | C3 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 108.2° |
| H27 | C18 | H28 | 109.5° | 107.9° |
| H29 | C17 | H30 | 109.4° | 109.3° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H31 | C20 | H33 | 109.4° | 109.5° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H35 | C16 | H36 | 109.5° | 108.4° |
| H37 | C15 | H38 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C12 | C9 | 124.1° | 120.0° |
| C11 | C10 | C12 | H4 | 118.5° | 120.0° |
| C11 | C10 | C9 | H4 | 117.3° | 120.0° |
| C11 | C10 | C9 | C13 | 127.5° | 120.0° |
| C11 | C10 | C9 | C8 | 50.5° | 60.0° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H7 | 120.0° | 120.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C10 | C12 | H8 | 180.0° | 180.0° |
| C11 | C10 | C12 | H9 | 60.0° | 60.0° |
| C11 | C10 | C12 | H10 | 60.0° | 60.0° |
| C12 | C10 | C9 | H4 | 117.2° | 120.0° |
| C12 | C10 | C9 | C13 | 107.0° | 120.0° |
| C12 | C10 | C9 | C8 | 75.0° | 60.0° |
| C12 | C10 | C11 | H5 | 180.0° | 60.0° |
| C12 | C10 | C11 | H6 | 60.0° | 60.0° |
| C12 | C10 | C11 | H7 | 60.0° | 180.0° |
| C10 | C12 | H8 | H9 | 120.0° | 120.0° |
| C10 | C12 | H8 | H10 | 120.0° | 120.0° |
| C10 | C12 | H9 | H10 | 120.0° | 120.0° |
| C10 | C9 | C13 | C8 | 178.0° | 180.0° |
| C10 | C9 | C13 | C14 | 179.7° | 179.9° |
| C10 | C9 | C8 | C7 | 179.1° | 179.9° |
| C10 | C9 | C8 | H3 | 0.9° | 0.2° |
| C9 | C10 | C11 | H5 | 55.9° | 60.0° |
| C9 | C10 | C11 | H6 | 176.0° | 180.0° |
| C9 | C10 | C11 | H7 | 64.1° | 60.0° |
| C9 | C10 | C12 | H8 | 56.0° | 60.0° |
| C9 | C10 | C12 | H9 | 64.1° | 180.0° |
| C9 | C10 | C12 | H10 | 176.0° | 60.0° |
| C10 | C9 | C13 | H11 | 0.3° | 0.1° |
| C9 | C13 | C14 | H11 | 180.0° | 180.0° |
| C13 | C9 | C8 | C7 | 1.1° | 0.1° |
| C9 | C13 | C14 | C15 | 177.6° | 179.9° |
| C9 | C13 | C14 | C6 | 0.3° | 0.2° |
| C13 | C9 | C8 | H3 | 178.9° | 179.9° |
| C13 | C9 | C10 | H4 | 10.2° | 0.0° |
| C8 | C9 | C13 | C14 | 1.6° | 0.1° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.8° | 0.1° |
| C9 | C8 | C7 | H2 | 179.2° | 179.8° |
| C8 | C9 | C10 | H4 | 167.8° | 180.0° |
| C8 | C9 | C13 | H11 | 178.4° | 179.9° |
| C13 | C14 | C15 | C6 | 177.7° | 179.9° |
| C13 | C14 | C15 | C16 | 170.8° | 171.0° |
| C13 | C14 | C6 | C7 | 1.5° | 0.4° |
| C13 | C14 | C6 | C5 | 178.5° | 179.8° |
| C13 | C14 | C15 | H37 | 68.5° | 50.3° |
| C13 | C14 | C15 | H38 | 50.1° | 68.3° |
| C8 | C7 | C6 | C14 | 2.1° | 0.4° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 179.1° | 179.9° |
| C14 | C15 | C16 | H37 | 120.7° | 120.8° |
| C14 | C15 | C16 | H38 | 120.7° | 120.9° |
| C15 | C14 | C6 | C7 | 179.3° | 179.7° |
| C15 | C14 | C6 | C5 | 3.7° | 0.1° |
| C14 | C15 | C16 | C4 | 39.6° | 42.0° |
| C15 | C14 | C13 | H11 | 2.4° | 0.1° |
| C14 | C15 | C16 | H35 | 159.5° | 80.5° |
| C14 | C15 | C16 | H36 | 80.3° | 161.3° |
| C14 | C15 | H37 | H38 | 117.7° | 118.8° |
| C6 | C14 | C15 | C16 | 11.4° | 9.1° |
| C14 | C6 | C7 | C5 | 177.0° | 179.8° |
| C14 | C6 | C5 | C20 | 99.8° | 96.6° |
| C14 | C6 | C5 | C4 | 24.5° | 24.5° |
| C14 | C6 | C5 | C17 | 143.2° | 145.5° |
| C14 | C6 | C7 | H2 | 177.9° | 179.6° |
| C6 | C14 | C13 | H11 | 179.8° | 179.8° |
| C6 | C14 | C15 | H37 | 109.3° | 129.8° |
| C6 | C14 | C15 | H38 | 132.2° | 111.6° |
| C15 | C16 | C4 | H35 | 119.9° | 121.1° |
| C15 | C16 | C4 | H36 | 119.9° | 118.1° |
| C15 | C16 | C4 | C5 | 63.4° | 69.4° |
| C15 | C16 | C4 | C2 | 161.9° | 159.8° |
| C15 | C16 | C4 | H34 | 48.8° | 44.1° |
| C15 | C16 | H35 | H36 | 120.2° | 118.1° |
| C16 | C15 | H37 | H38 | 117.7° | 118.4° |
| C7 | C6 | C5 | C20 | 77.1° | 83.1° |
| C7 | C6 | C5 | C4 | 158.6° | 155.7° |
| C7 | C6 | C5 | C17 | 39.9° | 34.8° |
| C6 | C7 | C8 | H3 | 179.2° | 179.9° |
| C20 | C5 | C6 | C4 | 124.3° | 121.1° |
| C20 | C5 | C6 | C17 | 117.0° | 117.9° |
| C20 | C5 | C4 | C16 | 62.5° | 58.7° |
| C20 | C5 | C4 | C17 | 123.7° | 121.8° |
| C20 | C5 | C4 | C2 | 70.9° | 70.9° |
| C20 | C5 | C17 | C18 | 75.9° | 66.7° |
| C20 | C5 | C17 | H29 | 44.6° | 173.1° |
| C20 | C5 | C17 | H30 | 163.6° | 53.1° |
| C5 | C20 | H31 | H32 | 120.0° | 120.0° |
| C5 | C20 | H31 | H33 | 120.0° | 120.0° |
| C5 | C20 | H32 | H33 | 120.0° | 120.0° |
| C20 | C5 | C4 | H34 | 174.8° | 171.9° |
| C6 | C5 | C4 | C16 | 54.7° | 58.8° |
| C6 | C5 | C4 | C17 | 119.0° | 120.7° |
| C6 | C5 | C4 | C2 | 171.8° | 171.7° |
| C6 | C5 | C17 | C18 | 170.4° | 176.8° |
| C5 | C6 | C7 | H2 | 0.9° | 0.2° |
| C6 | C5 | C17 | H29 | 69.1° | 56.6° |
| C6 | C5 | C17 | H30 | 49.9° | 63.4° |
| C6 | C5 | C20 | H31 | 180.0° | 54.7° |
| C6 | C5 | C20 | H32 | 60.0° | 174.6° |
| C6 | C5 | C20 | H33 | 60.0° | 65.4° |
| C6 | C5 | C4 | H34 | 57.6° | 54.5° |
| C16 | C4 | C5 | C2 | 133.5° | 129.6° |
| C16 | C4 | C5 | H34 | 112.3° | 113.2° |
| C16 | C4 | C5 | C17 | 173.7° | 179.5° |
| C16 | C4 | C2 | H34 | 113.1° | 115.4° |
| C16 | C4 | C2 | C3 | 61.8° | 49.3° |
| C16 | C4 | C2 | C1 | 56.9° | 69.0° |
| C16 | C4 | C2 | C19 | 173.9° | 174.0° |
| C4 | C16 | H35 | H36 | 120.3° | 121.8° |
| C4 | C16 | C15 | H37 | 81.1° | 162.9° |
| C4 | C16 | C15 | H38 | 160.4° | 78.8° |
| C5 | C4 | C2 | H34 | 114.2° | 117.1° |
| C5 | C4 | C2 | C3 | 70.9° | 78.2° |
| C4 | C5 | C17 | C18 | 51.6° | 57.2° |
| C5 | C4 | C2 | C1 | 170.4° | 163.5° |
| C5 | C4 | C2 | C19 | 53.3° | 46.5° |
| C4 | C5 | C17 | H29 | 172.1° | 63.0° |
| C4 | C5 | C17 | H30 | 68.9° | 177.0° |
| C4 | C5 | C20 | H31 | 60.3° | 173.1° |
| C4 | C5 | C20 | H32 | 59.8° | 66.9° |
| C4 | C5 | C20 | H33 | 179.7° | 53.1° |
| C5 | C4 | C16 | H35 | 176.7° | 51.7° |
| C5 | C4 | C16 | H36 | 56.5° | 172.5° |
| C17 | C5 | C4 | C2 | 52.8° | 51.0° |
| C5 | C17 | C18 | H29 | 120.5° | 120.2° |
| C5 | C17 | C18 | H30 | 120.5° | 120.0° |
| C5 | C17 | C18 | C19 | 55.1° | 61.5° |
| C5 | C17 | C18 | H27 | 65.3° | 179.6° |
| C5 | C17 | C18 | H28 | 175.4° | 61.2° |
| C5 | C17 | H29 | H30 | 118.5° | 120.1° |
| C17 | C5 | C20 | H31 | 63.1° | 64.1° |
| C17 | C5 | C20 | H32 | 176.9° | 55.9° |
| C17 | C5 | C20 | H33 | 56.9° | 175.9° |
| C17 | C5 | C4 | H34 | 61.4° | 66.2° |
| C4 | C2 | C3 | C1 | 118.4° | 118.9° |
| C4 | C2 | C3 | C19 | 123.3° | 125.6° |
| C4 | C2 | C1 | C19 | 116.5° | 120.3° |
| C4 | C2 | C1 | O1 | 119.5° | 0.3° |
| C4 | C2 | C1 | N1 | 57.1° | 179.7° |
| C4 | C2 | C19 | C18 | 53.3° | 49.2° |
| C4 | C2 | C3 | H22 | 180.0° | 52.5° |
| C4 | C2 | C3 | H23 | 60.0° | 67.4° |
| C4 | C2 | C3 | H24 | 60.0° | 172.6° |
| C4 | C2 | C19 | H25 | 67.2° | 71.8° |
| C4 | C2 | C19 | H26 | 173.8° | 170.2° |
| C2 | C4 | C16 | H35 | 41.9° | 79.1° |
| C2 | C4 | C16 | H36 | 78.2° | 41.7° |
| C3 | C2 | C1 | C19 | 119.0° | 117.9° |
| C3 | C2 | C1 | O1 | 5.0° | 122.1° |
| C3 | C2 | C1 | N1 | 178.4° | 57.8° |
| C3 | C2 | C19 | C18 | 74.4° | 76.9° |
| C2 | C3 | H22 | H23 | 120.0° | 119.9° |
| C2 | C3 | H22 | H24 | 120.0° | 120.0° |
| C2 | C3 | H23 | H24 | 120.0° | 120.0° |
| C3 | C2 | C19 | H25 | 165.1° | 162.1° |
| C3 | C2 | C19 | H26 | 46.1° | 44.1° |
| C3 | C2 | C4 | H34 | 174.9° | 164.7° |
| C17 | C18 | C19 | C2 | 56.1° | 57.7° |
| C17 | C18 | C19 | H27 | 120.4° | 118.7° |
| C17 | C18 | C19 | H28 | 120.4° | 122.9° |
| C17 | C18 | C19 | H25 | 64.5° | 63.2° |
| C17 | C18 | C19 | H26 | 176.6° | 178.7° |
| C17 | C18 | H27 | H28 | 118.9° | 120.3° |
| C18 | C17 | H29 | H30 | 118.5° | 119.8° |
| C2 | C1 | O1 | N1 | 176.4° | 179.9° |
| C1 | C2 | C19 | C18 | 168.6° | 167.2° |
| C2 | C1 | N1 | C21 | 171.4° | 180.0° |
| C2 | C1 | N1 | H1 | 8.5° | 0.3° |
| C1 | C2 | C3 | H22 | 61.6° | 66.4° |
| C1 | C2 | C3 | H23 | 58.4° | 173.6° |
| C1 | C2 | C3 | H24 | 178.4° | 53.6° |
| C1 | C2 | C19 | H25 | 48.1° | 46.2° |
| C1 | C2 | C19 | H26 | 70.9° | 71.8° |
| C1 | C2 | C4 | H34 | 56.2° | 46.3° |
| C19 | C2 | C1 | O1 | 124.0° | 120.0° |
| C19 | C2 | C1 | N1 | 59.4° | 60.0° |
| C2 | C19 | C18 | H25 | 120.5° | 120.9° |
| C2 | C19 | C18 | H26 | 120.5° | 120.9° |
| C19 | C2 | C3 | H22 | 56.7° | 178.1° |
| C19 | C2 | C3 | H23 | 176.7° | 58.1° |
| C19 | C2 | C3 | H24 | 63.3° | 61.8° |
| C2 | C19 | H25 | H26 | 118.4° | 118.4° |
| C2 | C19 | C18 | H27 | 64.3° | 176.4° |
| C2 | C19 | C18 | H28 | 176.4° | 65.2° |
| C19 | C2 | C4 | H34 | 60.9° | 70.6° |
| O1 | C1 | N1 | C21 | 5.1° | 0.1° |
| O1 | C1 | N1 | H1 | 174.9° | 179.7° |
| C1 | N1 | C21 | H1 | 180.0° | 179.7° |
| C1 | N1 | C21 | C22 | 154.2° | 84.7° |
| C1 | N1 | C21 | C23 | 80.5° | 155.3° |
| C1 | N1 | C21 | H14 | 39.1° | 35.4° |
| C18 | C19 | H25 | H26 | 118.4° | 118.8° |
| C19 | C18 | H27 | H28 | 118.9° | 120.0° |
| C19 | C18 | C17 | H29 | 175.6° | 58.6° |
| C19 | C18 | C17 | H30 | 65.4° | 178.4° |
| N1 | C21 | C22 | O2 | 4.8° | 0.0° |
| N1 | C21 | C22 | C23 | 128.0° | 120.0° |
| N1 | C21 | C22 | H14 | 115.6° | 120.0° |
| N1 | C21 | C22 | O3 | 174.5° | 180.0° |
| N1 | C21 | C23 | H14 | 120.1° | 119.9° |
| N1 | C21 | C23 | C24 | 61.8° | 65.0° |
| N1 | C21 | C23 | H15 | 177.6° | 55.0° |
| N1 | C21 | C23 | H16 | 58.7° | 175.1° |
| O2 | C22 | C21 | O3 | 179.3° | 180.0° |
| O2 | C22 | C21 | C23 | 123.2° | 120.0° |
| O2 | C22 | O3 | H13 | 0.0° | 0.0° |
| O2 | C22 | C21 | H14 | 120.4° | 120.0° |
| C22 | C21 | C23 | H14 | 116.6° | 120.0° |
| C22 | C21 | C23 | C24 | 61.4° | 175.0° |
| C22 | C21 | N1 | H1 | 25.8° | 95.0° |
| C21 | C22 | O3 | H13 | 179.3° | 180.0° |
| C22 | C21 | C23 | H15 | 59.1° | 65.0° |
| C22 | C21 | C23 | H16 | 178.0° | 55.0° |
| O3 | C22 | C21 | C23 | 57.5° | 60.0° |
| O3 | C22 | C21 | H14 | 58.9° | 59.9° |
| C21 | C23 | C24 | H15 | 120.5° | 120.0° |
| C21 | C23 | C24 | H16 | 120.5° | 120.0° |
| C21 | C23 | C24 | C27 | 78.7° | 95.0° |
| C21 | C23 | C24 | C25 | 99.3° | 84.7° |
| C23 | C21 | N1 | H1 | 99.6° | 25.0° |
| C21 | C23 | H15 | H16 | 118.3° | 120.0° |
| C23 | C24 | C27 | C25 | 178.4° | 179.7° |
| C23 | C24 | C27 | N2 | 179.3° | 180.0° |
| C23 | C24 | C25 | C28 | 0.9° | 0.3° |
| C23 | C24 | C25 | C26 | 179.0° | 179.9° |
| C24 | C23 | C21 | H14 | 178.0° | 55.0° |
| C24 | C23 | H15 | H16 | 118.4° | 119.9° |
| C23 | C24 | C27 | H17 | 0.7° | 0.0° |
| C24 | C27 | N2 | H17 | 180.0° | 180.0° |
| C27 | C24 | C25 | C28 | 179.2° | 179.9° |
| C27 | C24 | C25 | C26 | 0.7° | 0.4° |
| C24 | C27 | N2 | C26 | 0.8° | 0.0° |
| C24 | C27 | N2 | H12 | 179.2° | 179.8° |
| C27 | C24 | C23 | H15 | 160.8° | 145.0° |
| C27 | C24 | C23 | H16 | 41.8° | 25.0° |
| C25 | C24 | C27 | N2 | 0.9° | 0.2° |
| C24 | C25 | C28 | C26 | 179.9° | 179.5° |
| C24 | C25 | C28 | C29 | 179.7° | 179.5° |
| C24 | C25 | C26 | N2 | 0.2° | 0.4° |
| C24 | C25 | C26 | C31 | 179.6° | 179.7° |
| C25 | C24 | C23 | H15 | 21.2° | 35.3° |
| C25 | C24 | C23 | H16 | 140.1° | 155.3° |
| C25 | C24 | C27 | H17 | 179.1° | 179.7° |
| C24 | C25 | C28 | H21 | 0.4° | 0.4° |
| C27 | N2 | C26 | C25 | 0.3° | 0.2° |
| C27 | N2 | C26 | H12 | 180.0° | 179.8° |
| C27 | N2 | C26 | C31 | 179.9° | 179.8° |
| C25 | C28 | C29 | H21 | 180.0° | 180.0° |
| C28 | C25 | C26 | N2 | 179.7° | 180.0° |
| C28 | C25 | C26 | C31 | 0.5° | 0.0° |
| C25 | C28 | C29 | C30 | 0.3° | 0.1° |
| C25 | C28 | C29 | H20 | 179.7° | 180.0° |
| C26 | C25 | C28 | C29 | 0.5° | 0.0° |
| C25 | C26 | N2 | C31 | 179.8° | 179.9° |
| C25 | C26 | C31 | C30 | 0.3° | 0.0° |
| C25 | C26 | N2 | H12 | 179.7° | 180.0° |
| C25 | C26 | C31 | H18 | 179.7° | 180.0° |
| C26 | C25 | C28 | H21 | 179.5° | 180.0° |
| C28 | C29 | C30 | H20 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.1° | 0.1° |
| C28 | C29 | C30 | H19 | 179.9° | 180.0° |
| N2 | C26 | C31 | C30 | 179.9° | 179.9° |
| C26 | N2 | C27 | H17 | 179.2° | 180.0° |
| N2 | C26 | C31 | H18 | 0.1° | 0.1° |
| C26 | C31 | C30 | C29 | 0.2° | 0.0° |
| C26 | C31 | C30 | H18 | 180.0° | 179.9° |
| C31 | C26 | N2 | H12 | 0.1° | 0.1° |
| C26 | C31 | C30 | H19 | 179.8° | 179.9° |
| C29 | C30 | C31 | H19 | 180.0° | 179.9° |
| C29 | C30 | C31 | H18 | 179.8° | 179.9° |
| C30 | C29 | C28 | H21 | 179.7° | 180.0° |
| C31 | C30 | C29 | H20 | 179.9° | 180.0° |
| H1 | N1 | C21 | H14 | 140.9° | 144.9° |
| H2 | C7 | C8 | H3 | 0.8° | 0.1° |
| H4 | C10 | C11 | H5 | 61.6° | 179.9° |
| H4 | C10 | C11 | H6 | 58.4° | 60.0° |
| H4 | C10 | C11 | H7 | 178.4° | 60.0° |
| H4 | C10 | C12 | H8 | 61.5° | 60.0° |
| H4 | C10 | C12 | H9 | 178.4° | 60.0° |
| H4 | C10 | C12 | H10 | 58.5° | 180.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
| H12 | N2 | C27 | H17 | 0.8° | 0.3° |
| H14 | C21 | C23 | H15 | 57.5° | 175.0° |
| H14 | C21 | C23 | H16 | 61.4° | 65.0° |
| H18 | C31 | C30 | H19 | 0.2° | 0.0° |
| H19 | C30 | C29 | H20 | 0.1° | 0.1° |
| H20 | C29 | C28 | H21 | 0.3° | 0.1° |
| H22 | C3 | H23 | H24 | 120.0° | 120.1° |
| H25 | C19 | C18 | H27 | 175.2° | 55.5° |
| H25 | C19 | C18 | H28 | 55.9° | 173.9° |
| H26 | C19 | C18 | H27 | 56.2° | 62.6° |
| H26 | C19 | C18 | H28 | 63.1° | 55.7° |
| H27 | C18 | C17 | H29 | 55.2° | 60.2° |
| H27 | C18 | C17 | H30 | 174.2° | 59.6° |
| H28 | C18 | C17 | H29 | 64.1° | 178.6° |
| H28 | C18 | C17 | H30 | 54.9° | 58.8° |
| H31 | C20 | H32 | H33 | 120.0° | 120.0° |
| H34 | C4 | C16 | H35 | 71.1° | 165.2° |
| H34 | C4 | C16 | H36 | 168.7° | 74.0° |
| H35 | C16 | C15 | H37 | 38.8° | 40.3° |
| H35 | C16 | C15 | H38 | 79.7° | 158.6° |
| H36 | C16 | C15 | H37 | 158.9° | 77.8° |
| H36 | C16 | C15 | H38 | 40.4° | 40.4° |
