KFE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C15 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C12 | C17 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | C8 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C20 | O3 | sing | 1.43Å | 1.41Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C16 | sing | 1.53Å | 1.54Å | |
| C7 | O2 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| N2 | C19 | sing | 1.49Å | 1.47Å | |
| N2 | C18 | sing | 1.48Å | 1.48Å | |
| C19 | C21 | sing | 1.55Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| O2 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C1 | C18 | sing | 1.51Å | 1.52Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C18 | C22 | sing | 1.54Å | 1.54Å | |
| O4 | C21 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.55Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C22 | O5 | sing | 1.43Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| N2 | H31 | sing | 1.01Å | 1.00Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| O3 | H36 | sing | 0.97Å | 0.95Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| O5 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 109.4° | 109.4° |
| C11 | C10 | C9 | 109.2° | 109.5° |
| C11 | C10 | C15 | 109.9° | 109.5° |
| C11 | C10 | H17 | 109.6° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.4° |
| C11 | C12 | C17 | 109.6° | 109.5° |
| C11 | C12 | C13 | 109.5° | 109.5° |
| C12 | C11 | H18 | 109.5° | 109.5° |
| C12 | C11 | H19 | 109.5° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.4° |
| C9 | C10 | C15 | 109.1° | 109.5° |
| C10 | C9 | C8 | 110.9° | 109.5° |
| C10 | C9 | H15 | 109.1° | 109.5° |
| C10 | C9 | H16 | 109.1° | 109.4° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| C10 | C15 | C14 | 109.4° | 109.4° |
| C15 | C10 | H17 | 109.6° | 109.4° |
| C10 | C15 | H24 | 109.5° | 109.4° |
| C10 | C15 | H25 | 109.5° | 109.4° |
| C9 | C8 | C17 | 108.1° | 109.5° |
| C9 | C8 | C7 | 110.2° | 109.5° |
| C9 | C8 | C16 | 108.5° | 109.4° |
| C8 | C9 | H15 | 109.1° | 109.5° |
| C8 | C9 | H16 | 109.1° | 109.5° |
| C17 | C12 | C13 | 109.4° | 109.5° |
| C12 | C17 | C8 | 110.3° | 109.5° |
| C17 | C12 | H20 | 109.4° | 109.5° |
| C12 | C17 | H28 | 109.3° | 109.5° |
| C12 | C17 | H29 | 109.2° | 109.5° |
| C12 | C13 | C14 | 109.6° | 109.5° |
| C13 | C12 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.4° | 109.4° |
| C12 | C13 | H22 | 109.4° | 109.5° |
| C17 | C8 | C7 | 109.4° | 109.5° |
| C17 | C8 | C16 | 108.9° | 109.5° |
| C8 | C17 | H28 | 109.3° | 109.4° |
| C8 | C17 | H29 | 109.3° | 109.5° |
| C15 | C14 | C13 | 109.3° | 109.5° |
| C15 | C14 | C16 | 109.9° | 109.5° |
| C15 | C14 | H23 | 109.4° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.5° |
| O3 | C20 | C19 | 111.2° | 109.4° |
| O3 | C20 | H34 | 109.0° | 109.5° |
| O3 | C20 | H35 | 109.1° | 109.5° |
| C20 | O3 | H36 | 109.5° | 114.0° |
| C20 | C19 | N2 | 111.9° | 110.6° |
| C20 | C19 | C21 | 116.1° | 110.6° |
| C20 | C19 | H33 | 109.8° | 110.8° |
| C19 | C20 | H34 | 109.1° | 109.5° |
| C19 | C20 | H35 | 109.0° | 109.5° |
| C7 | C8 | C16 | 111.6° | 109.5° |
| C8 | C7 | O2 | 113.4° | 109.5° |
| C8 | C7 | H9 | 108.5° | 109.5° |
| C8 | C7 | H10 | 108.5° | 109.4° |
| C8 | C16 | C14 | 110.1° | 109.5° |
| C8 | C16 | H26 | 109.3° | 109.4° |
| C8 | C16 | H27 | 109.3° | 109.4° |
| C7 | O2 | C6 | 112.1° | 114.0° |
| O2 | C7 | H9 | 108.5° | 109.5° |
| O2 | C7 | H10 | 108.5° | 109.5° |
| C13 | C14 | C16 | 109.4° | 109.5° |
| C14 | C13 | H21 | 109.4° | 109.5° |
| C14 | C13 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| O1 | C1 | C18 | 119.7° | 120.0° |
| O1 | C1 | N1 | 123.0° | 120.0° |
| C19 | N2 | C18 | 106.9° | 105.8° |
| N2 | C19 | C21 | 98.4° | 103.2° |
| C19 | N2 | H31 | 110.1° | 111.0° |
| N2 | C19 | H33 | 110.5° | 110.6° |
| N2 | C18 | C1 | 109.5° | 109.9° |
| N2 | C18 | C22 | 103.2° | 107.1° |
| N2 | C18 | H30 | 109.2° | 110.1° |
| C18 | N2 | H31 | 110.1° | 111.0° |
| C19 | C21 | O4 | 111.1° | 110.7° |
| C19 | C21 | C22 | 104.4° | 102.9° |
| C21 | C19 | H33 | 109.6° | 110.7° |
| C19 | C21 | H37 | 108.6° | 110.7° |
| C16 | C14 | H23 | 109.4° | 109.4° |
| C14 | C16 | H26 | 109.3° | 109.5° |
| C14 | C16 | H27 | 109.3° | 109.5° |
| O2 | C6 | C5 | 109.1° | 109.5° |
| O2 | C6 | H11 | 109.6° | 109.5° |
| O2 | C6 | H12 | 109.6° | 109.5° |
| C6 | C5 | C4 | 114.6° | 109.5° |
| C6 | C5 | H7 | 108.1° | 109.5° |
| C6 | C5 | H8 | 108.2° | 109.5° |
| C5 | C6 | H11 | 109.6° | 109.4° |
| C5 | C6 | H12 | 109.6° | 109.5° |
| C18 | C1 | N1 | 117.2° | 120.0° |
| C1 | C18 | C22 | 117.4° | 109.9° |
| C1 | C18 | H30 | 108.8° | 109.9° |
| C1 | N1 | C2 | 123.3° | 120.0° |
| C1 | N1 | H1 | 118.3° | 120.0° |
| C18 | C22 | C21 | 104.4° | 105.1° |
| C18 | C22 | O5 | 109.2° | 110.3° |
| C22 | C18 | H30 | 108.5° | 109.9° |
| C18 | C22 | H38 | 109.0° | 110.3° |
| O4 | C21 | C22 | 114.1° | 110.7° |
| C21 | O4 | H6 | 109.5° | 114.0° |
| O4 | C21 | H37 | 110.0° | 110.7° |
| C4 | C3 | C2 | 114.8° | 109.4° |
| C3 | C4 | C5 | 112.7° | 109.5° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C3 | C4 | H5 | 108.6° | 109.5° |
| C4 | C3 | H13 | 108.1° | 109.5° |
| C4 | C3 | H14 | 108.1° | 109.5° |
| C3 | C2 | N1 | 112.5° | 109.5° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| C3 | C2 | H3 | 108.7° | 109.5° |
| C2 | C3 | H13 | 108.1° | 109.5° |
| C2 | C3 | H14 | 108.1° | 109.5° |
| C21 | C22 | O5 | 114.7° | 110.3° |
| C22 | C21 | H37 | 108.4° | 110.8° |
| C21 | C22 | H38 | 109.0° | 110.3° |
| C5 | C4 | H4 | 108.6° | 109.4° |
| C5 | C4 | H5 | 108.6° | 109.5° |
| C4 | C5 | H7 | 108.2° | 109.5° |
| C4 | C5 | H8 | 108.1° | 109.5° |
| C2 | N1 | H1 | 118.3° | 120.0° |
| N1 | C2 | H2 | 108.7° | 109.4° |
| N1 | C2 | H3 | 108.7° | 109.4° |
| O5 | C22 | H38 | 110.3° | 110.3° |
| C22 | O5 | H39 | 109.5° | 114.0° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H9 | C7 | H10 | 109.4° | 109.4° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.5° | 109.4° |
| H34 | C20 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H18 | 120.0° | 120.0° |
| C10 | C11 | C12 | H19 | 120.0° | 119.9° |
| C11 | C10 | C9 | C15 | 120.1° | 120.0° |
| C11 | C10 | C9 | H17 | 120.0° | 120.0° |
| C11 | C10 | C15 | H17 | 120.5° | 120.0° |
| C11 | C10 | C9 | C8 | 60.0° | 59.9° |
| C10 | C11 | C12 | C17 | 60.3° | 60.0° |
| C10 | C11 | C12 | C13 | 59.8° | 60.0° |
| C11 | C10 | C15 | C14 | 59.9° | 60.0° |
| C11 | C10 | C9 | H15 | 60.2° | 180.0° |
| C11 | C10 | C9 | H16 | 179.7° | 60.0° |
| C10 | C11 | H18 | H19 | 120.0° | 119.9° |
| C10 | C11 | C12 | H20 | 179.8° | 180.0° |
| C11 | C10 | C15 | H24 | 179.9° | 180.0° |
| C11 | C10 | C15 | H25 | 60.1° | 60.0° |
| C12 | C11 | C10 | C9 | 59.8° | 59.9° |
| C12 | C11 | C10 | C15 | 59.8° | 60.1° |
| C11 | C12 | C17 | C13 | 120.0° | 120.0° |
| C11 | C12 | C17 | H20 | 120.0° | 120.0° |
| C11 | C12 | C13 | H20 | 120.0° | 119.9° |
| C11 | C12 | C17 | C8 | 60.5° | 60.0° |
| C11 | C12 | C13 | C14 | 60.1° | 60.0° |
| C12 | C11 | C10 | H17 | 179.7° | 180.0° |
| C12 | C11 | H18 | H19 | 120.0° | 120.0° |
| C11 | C12 | C13 | H21 | 59.9° | 60.0° |
| C11 | C12 | C13 | H22 | 179.8° | 179.9° |
| C11 | C12 | C17 | H28 | 179.4° | 60.0° |
| C11 | C12 | C17 | H29 | 59.7° | 180.0° |
| C9 | C10 | C15 | H17 | 119.9° | 120.0° |
| C10 | C9 | C8 | H15 | 120.2° | 120.1° |
| C10 | C9 | C8 | H16 | 120.2° | 120.0° |
| C10 | C9 | C8 | C17 | 59.0° | 59.9° |
| C9 | C10 | C15 | C14 | 59.8° | 60.0° |
| C10 | C9 | C8 | C7 | 178.6° | 180.0° |
| C10 | C9 | C8 | C16 | 59.0° | 60.0° |
| C10 | C9 | H15 | H16 | 119.4° | 119.9° |
| C9 | C10 | C11 | H18 | 179.8° | 180.0° |
| C9 | C10 | C11 | H19 | 60.2° | 60.0° |
| C9 | C10 | C15 | H24 | 60.2° | 60.0° |
| C9 | C10 | C15 | H25 | 179.8° | 180.0° |
| C15 | C10 | C9 | C8 | 60.0° | 60.1° |
| C10 | C15 | C14 | H24 | 120.0° | 119.9° |
| C10 | C15 | C14 | H25 | 120.0° | 120.0° |
| C10 | C15 | C14 | C13 | 59.8° | 60.0° |
| C10 | C15 | C14 | C16 | 60.2° | 60.0° |
| C15 | C10 | C9 | H15 | 179.7° | 60.0° |
| C15 | C10 | C9 | H16 | 60.2° | 180.0° |
| C15 | C10 | C11 | H18 | 60.2° | 60.0° |
| C15 | C10 | C11 | H19 | 179.8° | 180.0° |
| C10 | C15 | C14 | H23 | 179.6° | 180.0° |
| C10 | C15 | H24 | H25 | 120.0° | 120.0° |
| C9 | C8 | C17 | C12 | 58.9° | 60.0° |
| C9 | C8 | C17 | C7 | 120.1° | 120.0° |
| C9 | C8 | C17 | C16 | 117.7° | 119.9° |
| C9 | C8 | C7 | C16 | 120.6° | 120.0° |
| C9 | C8 | C7 | O2 | 108.6° | 60.0° |
| C9 | C8 | C16 | C14 | 58.5° | 60.0° |
| C9 | C8 | C7 | H9 | 130.8° | 179.9° |
| C9 | C8 | C7 | H10 | 12.0° | 60.0° |
| C8 | C9 | H15 | H16 | 119.3° | 120.0° |
| C8 | C9 | C10 | H17 | 179.9° | 180.0° |
| C9 | C8 | C16 | H26 | 178.6° | 180.0° |
| C9 | C8 | C16 | H27 | 61.6° | 60.0° |
| C9 | C8 | C17 | H28 | 179.0° | 60.1° |
| C9 | C8 | C17 | H29 | 61.2° | 180.0° |
| C17 | C12 | C13 | H20 | 119.9° | 120.0° |
| C12 | C17 | C8 | H28 | 120.1° | 120.0° |
| C12 | C17 | C8 | H29 | 120.1° | 120.0° |
| C12 | C17 | C8 | C7 | 179.0° | 180.0° |
| C12 | C17 | C8 | C16 | 58.8° | 60.0° |
| C17 | C12 | C13 | C14 | 60.0° | 60.0° |
| C17 | C12 | C11 | H18 | 179.8° | 180.0° |
| C17 | C12 | C11 | H19 | 59.7° | 59.9° |
| C17 | C12 | C13 | H21 | 180.0° | 180.0° |
| C17 | C12 | C13 | H22 | 60.1° | 60.0° |
| C12 | C17 | H28 | H29 | 119.6° | 120.0° |
| C13 | C12 | C17 | C8 | 59.6° | 60.0° |
| C12 | C13 | C14 | C15 | 60.1° | 60.0° |
| C12 | C13 | C14 | H21 | 120.0° | 120.0° |
| C12 | C13 | C14 | H22 | 120.0° | 120.0° |
| C12 | C13 | C14 | C16 | 60.2° | 60.0° |
| C13 | C12 | C11 | H18 | 60.2° | 60.0° |
| C13 | C12 | C11 | H19 | 179.8° | 179.9° |
| C12 | C13 | H21 | H22 | 119.9° | 120.0° |
| C12 | C13 | C14 | H23 | 179.9° | 180.0° |
| C13 | C12 | C17 | H28 | 60.5° | 180.0° |
| C13 | C12 | C17 | H29 | 179.7° | 60.0° |
| C17 | C8 | C7 | C16 | 120.7° | 120.0° |
| C17 | C8 | C7 | O2 | 132.7° | 60.0° |
| C17 | C8 | C16 | C14 | 59.0° | 60.0° |
| C17 | C8 | C7 | H9 | 12.1° | 60.0° |
| C17 | C8 | C7 | H10 | 106.7° | 180.0° |
| C17 | C8 | C9 | H15 | 61.2° | 180.0° |
| C17 | C8 | C9 | H16 | 179.2° | 60.0° |
| C8 | C17 | C12 | H20 | 179.5° | 180.0° |
| C17 | C8 | C16 | H26 | 61.1° | 60.0° |
| C17 | C8 | C16 | H27 | 179.1° | 180.0° |
| C8 | C17 | H28 | H29 | 119.6° | 120.0° |
| C15 | C14 | C16 | C8 | 59.9° | 60.1° |
| C15 | C14 | C13 | C16 | 120.3° | 120.1° |
| C15 | C14 | C13 | H23 | 119.8° | 120.0° |
| C15 | C14 | C16 | H23 | 120.2° | 120.0° |
| C14 | C15 | C10 | H17 | 179.6° | 180.0° |
| C15 | C14 | C13 | H21 | 59.9° | 60.0° |
| C15 | C14 | C13 | H22 | 179.9° | 179.9° |
| C14 | C15 | H24 | H25 | 120.0° | 120.1° |
| C15 | C14 | C16 | H26 | 180.0° | 180.0° |
| C15 | C14 | C16 | H27 | 60.2° | 59.9° |
| O3 | C20 | C19 | H34 | 120.3° | 120.0° |
| O3 | C20 | C19 | H35 | 120.3° | 120.0° |
| O3 | C20 | C19 | N2 | 177.2° | 66.5° |
| O3 | C20 | C19 | C21 | 65.3° | 179.7° |
| O3 | C20 | C19 | H33 | 59.8° | 56.6° |
| O3 | C20 | H34 | H35 | 119.2° | 120.0° |
| C20 | C19 | N2 | C21 | 122.6° | 118.4° |
| C20 | C19 | N2 | H33 | 122.7° | 123.1° |
| C20 | C19 | N2 | C18 | 170.6° | 157.6° |
| C20 | C19 | C21 | H33 | 125.1° | 123.2° |
| C20 | C19 | C21 | O4 | 37.3° | 37.5° |
| C20 | C19 | C21 | C22 | 160.7° | 155.8° |
| C20 | C19 | N2 | H31 | 69.8° | 81.8° |
| C19 | C20 | H34 | H35 | 119.2° | 120.0° |
| C19 | C20 | O3 | H36 | 180.0° | 180.0° |
| C20 | C19 | C21 | H37 | 83.8° | 85.7° |
| C8 | C7 | O2 | H9 | 120.6° | 120.1° |
| C8 | C7 | O2 | H10 | 120.6° | 120.0° |
| C7 | C8 | C16 | C14 | 179.9° | 180.0° |
| C8 | C7 | O2 | C6 | 179.2° | 180.0° |
| C8 | C7 | H9 | H10 | 118.2° | 120.0° |
| C7 | C8 | C9 | H15 | 58.3° | 59.9° |
| C7 | C8 | C9 | H16 | 61.2° | 60.0° |
| C7 | C8 | C16 | H26 | 59.8° | 60.0° |
| C7 | C8 | C16 | H27 | 60.0° | 60.0° |
| C7 | C8 | C17 | H28 | 60.9° | 60.0° |
| C7 | C8 | C17 | H29 | 58.9° | 60.0° |
| C16 | C8 | C7 | O2 | 12.0° | 180.0° |
| C8 | C16 | C14 | C13 | 60.0° | 60.0° |
| C8 | C16 | C14 | H26 | 120.1° | 120.0° |
| C8 | C16 | C14 | H27 | 120.1° | 120.0° |
| C16 | C8 | C7 | H9 | 108.6° | 60.0° |
| C16 | C8 | C7 | H10 | 132.6° | 60.0° |
| C16 | C8 | C9 | H15 | 179.2° | 60.1° |
| C16 | C8 | C9 | H16 | 61.2° | 180.0° |
| C8 | C16 | C14 | H23 | 179.9° | 180.0° |
| C8 | C16 | H26 | H27 | 119.7° | 119.9° |
| C16 | C8 | C17 | H28 | 61.3° | 180.0° |
| C16 | C8 | C17 | H29 | 178.9° | 60.1° |
| C7 | O2 | C6 | C5 | 171.0° | 180.0° |
| O2 | C7 | H9 | H10 | 118.2° | 120.0° |
| C7 | O2 | C6 | H11 | 69.1° | 60.0° |
| C7 | O2 | C6 | H12 | 51.0° | 60.0° |
| C13 | C14 | C16 | H23 | 119.9° | 120.0° |
| C14 | C13 | C12 | H20 | 179.8° | 179.9° |
| C14 | C13 | H21 | H22 | 119.9° | 120.0° |
| C13 | C14 | C15 | H24 | 179.8° | 180.0° |
| C13 | C14 | C15 | H25 | 60.2° | 59.9° |
| C13 | C14 | C16 | H26 | 60.1° | 60.0° |
| C13 | C14 | C16 | H27 | 179.9° | 180.0° |
| O1 | C1 | C18 | N2 | 24.0° | 17.6° |
| O1 | C1 | C18 | N1 | 176.7° | 180.0° |
| O1 | C1 | C18 | C22 | 141.1° | 100.0° |
| O1 | C1 | N1 | C2 | 7.4° | 0.0° |
| O1 | C1 | N1 | H1 | 172.6° | 179.7° |
| O1 | C1 | C18 | H30 | 95.3° | 138.9° |
| C19 | N2 | C18 | H31 | 119.6° | 120.5° |
| N2 | C19 | C21 | H33 | 115.4° | 118.4° |
| C19 | N2 | C18 | C1 | 90.3° | 94.1° |
| C19 | N2 | C18 | C22 | 35.4° | 25.3° |
| N2 | C19 | C21 | O4 | 82.2° | 80.9° |
| N2 | C19 | C21 | C22 | 41.3° | 37.4° |
| C19 | N2 | C18 | H30 | 150.7° | 144.7° |
| N2 | C19 | C20 | H34 | 62.6° | 173.6° |
| N2 | C19 | C20 | H35 | 56.9° | 53.5° |
| N2 | C19 | C21 | H37 | 156.8° | 155.9° |
| C18 | N2 | C19 | C21 | 48.0° | 39.2° |
| N2 | C18 | C1 | C22 | 117.1° | 117.6° |
| N2 | C18 | C1 | H30 | 119.3° | 121.3° |
| N2 | C18 | C1 | N1 | 159.3° | 162.4° |
| N2 | C18 | C22 | H30 | 115.8° | 119.5° |
| N2 | C18 | C22 | C21 | 7.4° | 1.2° |
| N2 | C18 | C22 | O5 | 115.7° | 117.7° |
| C18 | N2 | C19 | H33 | 66.7° | 79.2° |
| N2 | C18 | C22 | H38 | 123.7° | 120.2° |
| C19 | C21 | C22 | C18 | 21.1° | 22.0° |
| C19 | C21 | O4 | C22 | 117.7° | 113.5° |
| C19 | C21 | O4 | H37 | 120.2° | 123.2° |
| C19 | C21 | C22 | H37 | 115.6° | 118.4° |
| C19 | C21 | C22 | O5 | 140.6° | 140.9° |
| C19 | C21 | O4 | H6 | 180.0° | 179.9° |
| C21 | C19 | N2 | H31 | 167.6° | 159.7° |
| C21 | C19 | C20 | H34 | 174.4° | 59.8° |
| C21 | C19 | C20 | H35 | 55.0° | 60.3° |
| C19 | C21 | C22 | H38 | 95.2° | 97.0° |
| C16 | C14 | C13 | H21 | 179.8° | 180.0° |
| C16 | C14 | C13 | H22 | 59.8° | 60.0° |
| C16 | C14 | C15 | H24 | 59.8° | 59.9° |
| C16 | C14 | C15 | H25 | 179.8° | 180.0° |
| C14 | C16 | H26 | H27 | 119.7° | 120.1° |
| O2 | C6 | C5 | H11 | 119.9° | 120.0° |
| O2 | C6 | C5 | H12 | 119.9° | 120.0° |
| O2 | C6 | C5 | C4 | 149.3° | 180.0° |
| O2 | C6 | C5 | H7 | 89.9° | 60.0° |
| O2 | C6 | C5 | H8 | 28.6° | 60.0° |
| C6 | O2 | C7 | H9 | 58.6° | 59.9° |
| C6 | O2 | C7 | H10 | 60.2° | 60.0° |
| O2 | C6 | H11 | H12 | 120.2° | 120.0° |
| C6 | C5 | C4 | C3 | 82.2° | 180.0° |
| C6 | C5 | C4 | H7 | 120.8° | 120.1° |
| C6 | C5 | C4 | H8 | 120.8° | 120.0° |
| C6 | C5 | C4 | H4 | 38.2° | 60.0° |
| C6 | C5 | C4 | H5 | 157.3° | 60.0° |
| C6 | C5 | H7 | H8 | 117.6° | 120.0° |
| C5 | C6 | H11 | H12 | 120.2° | 120.0° |
| C1 | C18 | C22 | H30 | 123.7° | 121.1° |
| C1 | C18 | C22 | C21 | 113.1° | 118.1° |
| C18 | C1 | N1 | C2 | 169.2° | 180.0° |
| C1 | C18 | C22 | O5 | 123.8° | 122.9° |
| C18 | C1 | N1 | H1 | 10.8° | 0.3° |
| C1 | C18 | N2 | H31 | 29.3° | 26.4° |
| C1 | C18 | C22 | H38 | 3.2° | 0.8° |
| N1 | C1 | C18 | C22 | 42.3° | 80.0° |
| C1 | N1 | C2 | C3 | 66.3° | 179.7° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | H2 | 173.2° | 59.7° |
| C1 | N1 | C2 | H3 | 54.1° | 60.3° |
| N1 | C1 | C18 | H30 | 81.4° | 41.1° |
| C18 | C22 | C21 | O4 | 100.3° | 96.4° |
| C18 | C22 | C21 | O5 | 119.5° | 118.9° |
| C18 | C22 | C21 | H38 | 116.3° | 118.9° |
| C18 | C22 | O5 | H38 | 119.8° | 122.1° |
| C22 | C18 | N2 | H31 | 155.0° | 145.8° |
| C18 | C22 | C21 | H37 | 136.8° | 140.4° |
| C18 | C22 | O5 | H39 | 180.0° | 180.0° |
| O4 | C21 | C22 | H37 | 122.9° | 123.2° |
| O4 | C21 | C22 | O5 | 19.2° | 22.5° |
| O4 | C21 | C19 | H33 | 162.4° | 160.6° |
| O4 | C21 | C22 | H38 | 143.4° | 144.7° |
| C4 | C3 | C2 | H13 | 120.8° | 120.0° |
| C4 | C3 | C2 | H14 | 120.8° | 120.0° |
| C3 | C4 | C5 | H4 | 120.5° | 120.0° |
| C3 | C4 | C5 | H5 | 120.5° | 120.0° |
| C4 | C3 | C2 | N1 | 127.6° | 180.0° |
| C4 | C3 | C2 | H2 | 7.2° | 60.1° |
| C4 | C3 | C2 | H3 | 111.9° | 60.0° |
| C3 | C4 | H4 | H5 | 118.5° | 120.0° |
| C3 | C4 | C5 | H7 | 38.5° | 60.0° |
| C3 | C4 | C5 | H8 | 157.0° | 60.0° |
| C4 | C3 | H13 | H14 | 117.5° | 120.0° |
| C2 | C3 | C4 | C5 | 170.1° | 180.0° |
| C3 | C2 | N1 | H2 | 120.5° | 120.0° |
| C3 | C2 | N1 | H3 | 120.5° | 120.0° |
| C3 | C2 | N1 | H1 | 113.6° | 0.0° |
| C3 | C2 | H2 | H3 | 118.6° | 120.1° |
| C2 | C3 | C4 | H4 | 69.5° | 60.0° |
| C2 | C3 | C4 | H5 | 49.6° | 60.0° |
| C2 | C3 | H13 | H14 | 117.6° | 120.0° |
| C21 | C22 | O5 | H38 | 123.5° | 122.2° |
| C22 | C21 | O4 | H6 | 62.3° | 66.5° |
| C21 | C22 | C18 | H30 | 123.2° | 120.8° |
| C22 | C21 | C19 | H33 | 74.1° | 81.0° |
| C21 | C22 | O5 | H39 | 63.3° | 64.3° |
| C5 | C4 | H4 | H5 | 118.5° | 120.0° |
| C4 | C5 | H7 | H8 | 117.6° | 120.0° |
| C4 | C5 | C6 | H11 | 29.4° | 60.0° |
| C4 | C5 | C6 | H12 | 90.7° | 60.0° |
| C5 | C4 | C3 | H13 | 69.1° | 60.0° |
| C5 | C4 | C3 | H14 | 49.3° | 60.0° |
| N1 | C2 | H2 | H3 | 118.6° | 120.0° |
| N1 | C2 | C3 | H13 | 111.6° | 60.0° |
| N1 | C2 | C3 | H14 | 6.8° | 60.0° |
| O5 | C22 | C18 | H30 | 0.1° | 1.8° |
| O5 | C22 | C21 | H37 | 103.8° | 100.7° |
| H1 | N1 | C2 | H2 | 6.8° | 120.0° |
| H1 | N1 | C2 | H3 | 125.9° | 120.0° |
| H2 | C2 | C3 | H13 | 127.9° | 180.0° |
| H2 | C2 | C3 | H14 | 113.6° | 59.9° |
| H3 | C2 | C3 | H13 | 8.8° | 59.9° |
| H3 | C2 | C3 | H14 | 127.3° | 180.0° |
| H4 | C4 | C5 | H7 | 159.0° | 60.0° |
| H4 | C4 | C5 | H8 | 82.5° | 179.9° |
| H4 | C4 | C3 | H13 | 51.3° | 59.9° |
| H4 | C4 | C3 | H14 | 169.8° | 180.0° |
| H5 | C4 | C5 | H7 | 82.0° | 180.0° |
| H5 | C4 | C5 | H8 | 36.5° | 60.0° |
| H5 | C4 | C3 | H13 | 170.4° | 180.0° |
| H5 | C4 | C3 | H14 | 71.2° | 60.0° |
| H6 | O4 | C21 | H37 | 59.8° | 56.9° |
| H7 | C5 | C6 | H11 | 150.2° | 60.0° |
| H7 | C5 | C6 | H12 | 30.0° | 180.0° |
| H8 | C5 | C6 | H11 | 91.4° | 179.9° |
| H8 | C5 | C6 | H12 | 148.5° | 60.1° |
| H15 | C9 | C10 | H17 | 59.8° | 59.9° |
| H16 | C9 | C10 | H17 | 59.7° | 60.0° |
| H17 | C10 | C11 | H18 | 60.3° | 60.0° |
| H17 | C10 | C11 | H19 | 59.7° | 60.1° |
| H17 | C10 | C15 | H24 | 59.6° | 60.0° |
| H17 | C10 | C15 | H25 | 60.4° | 60.0° |
| H18 | C11 | C12 | H20 | 59.8° | 60.0° |
| H19 | C11 | C12 | H20 | 60.2° | 60.1° |
| H20 | C12 | C13 | H21 | 60.2° | 59.9° |
| H20 | C12 | C13 | H22 | 59.8° | 60.0° |
| H20 | C12 | C17 | H28 | 59.4° | 60.0° |
| H20 | C12 | C17 | H29 | 60.4° | 60.0° |
| H21 | C13 | C14 | H23 | 59.9° | 60.0° |
| H22 | C13 | C14 | H23 | 60.0° | 59.9° |
| H23 | C14 | C15 | H24 | 60.3° | 60.1° |
| H23 | C14 | C15 | H25 | 59.7° | 60.1° |
| H23 | C14 | C16 | H26 | 59.8° | 60.0° |
| H23 | C14 | C16 | H27 | 60.0° | 60.0° |
| H30 | C18 | N2 | H31 | 89.7° | 94.8° |
| H30 | C18 | C22 | H38 | 120.5° | 120.3° |
| H31 | N2 | C19 | H33 | 52.9° | 41.3° |
| H33 | C19 | C20 | H34 | 60.5° | 63.4° |
| H33 | C19 | C20 | H35 | 179.9° | 176.6° |
| H33 | C19 | C21 | H37 | 41.3° | 37.5° |
| H34 | C20 | O3 | H36 | 59.7° | 60.0° |
| H35 | C20 | O3 | H36 | 59.8° | 60.0° |
| H37 | C21 | C22 | H38 | 20.5° | 21.5° |
| H38 | C22 | O5 | H39 | 60.2° | 57.9° |
