KHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.42Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | N6 | sing | 1.47Å | 1.46Å | |
| N6 | C27 | sing | 1.47Å | 1.47Å | |
| N6 | C13 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C28 | F1 | sing | 1.40Å | 1.41Å | |
| C28 | C3 | sing | 1.53Å | 1.54Å | |
| C12 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.47Å | 1.46Å | |
| C3 | N2 | sing | 1.46Å | 1.43Å | |
| C1 | N1 | trip | 1.14Å | 1.13Å | |
| N2 | N5 | sing | 1.40Å | 1.37Å | Aromatic |
| N2 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | C8 | doub | 1.21Å | 1.23Å | |
| C7 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C7 | N4 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | sing | 1.47Å | 1.48Å | |
| C8 | N4 | sing | 1.35Å | 1.36Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.46Å | |
| C11 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C6 | N3 | sing | 1.35Å | 1.34Å | |
| C6 | O1 | doub | 1.22Å | 1.23Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 120.1° | 120.1° |
| C21 | C20 | C19 | 120.9° | 119.8° |
| C21 | C20 | H9 | 119.6° | 120.1° |
| C20 | C21 | H10 | 119.9° | 119.9° |
| C21 | C22 | C23 | 119.9° | 120.2° |
| C22 | C21 | H10 | 119.9° | 120.0° |
| C21 | C22 | H11 | 120.0° | 119.9° |
| C20 | C19 | C24 | 118.0° | 119.8° |
| C20 | C19 | C18 | 121.2° | 120.1° |
| C19 | C20 | H9 | 119.6° | 120.1° |
| C22 | C23 | C24 | 120.2° | 120.1° |
| C23 | C22 | H11 | 120.0° | 119.9° |
| C22 | C23 | H23 | 119.9° | 119.9° |
| C24 | C19 | C18 | 120.8° | 120.1° |
| C19 | C24 | C23 | 120.9° | 119.9° |
| C19 | C24 | H12 | 119.6° | 120.0° |
| C19 | C18 | C17 | 121.7° | 120.1° |
| C19 | C18 | C25 | 120.7° | 120.1° |
| C23 | C24 | H12 | 119.6° | 120.1° |
| C24 | C23 | H23 | 119.9° | 119.9° |
| C17 | C18 | C25 | 117.6° | 119.7° |
| C18 | C17 | C16 | 120.9° | 119.9° |
| C18 | C17 | H8 | 119.6° | 120.0° |
| C18 | C25 | C26 | 121.3° | 119.9° |
| C18 | C25 | H24 | 119.3° | 120.0° |
| C17 | C16 | C15 | 121.0° | 120.1° |
| C16 | C17 | H8 | 119.6° | 120.1° |
| C17 | C16 | H20 | 119.5° | 119.9° |
| C25 | C26 | C15 | 120.7° | 120.1° |
| C25 | C26 | H13 | 119.7° | 120.0° |
| C26 | C25 | H24 | 119.4° | 120.1° |
| C16 | C15 | C26 | 118.5° | 120.2° |
| C16 | C15 | C14 | 120.6° | 119.9° |
| C15 | C16 | H20 | 119.5° | 120.0° |
| C26 | C15 | C14 | 120.8° | 119.9° |
| C15 | C26 | H13 | 119.6° | 119.9° |
| C15 | C14 | N6 | 115.3° | 109.5° |
| C15 | C14 | H18 | 108.0° | 109.5° |
| C15 | C14 | H19 | 108.0° | 109.5° |
| C14 | N6 | C27 | 110.9° | 111.0° |
| C14 | N6 | C13 | 111.7° | 111.0° |
| N6 | C14 | H18 | 108.0° | 109.5° |
| N6 | C14 | H19 | 108.0° | 109.4° |
| C27 | N6 | C13 | 107.9° | 111.2° |
| N6 | C27 | C28 | 112.0° | 109.5° |
| N6 | C27 | H28 | 108.8° | 109.5° |
| N6 | C27 | H29 | 108.8° | 109.4° |
| N6 | C13 | C12 | 112.1° | 109.5° |
| N6 | C13 | H6 | 108.8° | 109.5° |
| N6 | C13 | H7 | 108.8° | 109.5° |
| C27 | C28 | F1 | 108.1° | 109.6° |
| C27 | C28 | C3 | 115.4° | 109.3° |
| C28 | C27 | H28 | 108.8° | 109.5° |
| C28 | C27 | H29 | 108.8° | 109.5° |
| C27 | C28 | H30 | 108.3° | 109.5° |
| C13 | C12 | C3 | 111.6° | 109.3° |
| C12 | C13 | H6 | 108.8° | 109.4° |
| C12 | C13 | H7 | 108.8° | 109.4° |
| C13 | C12 | H16 | 109.0° | 109.5° |
| C13 | C12 | H17 | 108.9° | 109.5° |
| F1 | C28 | C3 | 107.7° | 109.5° |
| F1 | C28 | H30 | 109.6° | 109.4° |
| C28 | C3 | C12 | 106.4° | 109.1° |
| C28 | C3 | C2 | 109.3° | 109.5° |
| C28 | C3 | N2 | 111.0° | 109.6° |
| C3 | C28 | H30 | 107.7° | 109.5° |
| C12 | C3 | C2 | 109.6° | 109.5° |
| C12 | C3 | N2 | 112.0° | 109.6° |
| C3 | C12 | H16 | 108.9° | 109.5° |
| C3 | C12 | H17 | 108.9° | 109.5° |
| C3 | C2 | C1 | 113.2° | 109.5° |
| C2 | C3 | N2 | 108.4° | 109.5° |
| C3 | C2 | H21 | 108.5° | 109.5° |
| C3 | C2 | H22 | 108.5° | 109.5° |
| C2 | C1 | N1 | 174.3° | 179.9° |
| C1 | C2 | H21 | 108.5° | 109.5° |
| C1 | C2 | H22 | 108.5° | 109.5° |
| C3 | N2 | N5 | 120.4° | 125.7° |
| C3 | N2 | C4 | 130.1° | 125.7° |
| N5 | N2 | C4 | 109.4° | 108.6° |
| N2 | N5 | C7 | 107.9° | 108.9° |
| N2 | C4 | C5 | 107.6° | 107.5° |
| N2 | C4 | H3 | 126.2° | 126.2° |
| N5 | C7 | C5 | 109.8° | 107.9° |
| N5 | C7 | N4 | 126.3° | 126.1° |
| C4 | C5 | C7 | 105.2° | 107.1° |
| C4 | C5 | C6 | 131.0° | 126.5° |
| C5 | C4 | H3 | 126.2° | 126.2° |
| O2 | C8 | N4 | 121.2° | 120.0° |
| O2 | C8 | C9 | 124.2° | 120.0° |
| C5 | C7 | N4 | 123.8° | 126.1° |
| C7 | C5 | C6 | 123.8° | 126.4° |
| C7 | N4 | C8 | 123.3° | 120.0° |
| C7 | N4 | H25 | 118.4° | 119.9° |
| C5 | C6 | N3 | 119.8° | 120.0° |
| C5 | C6 | O1 | 120.5° | 120.0° |
| N4 | C8 | C9 | 114.6° | 120.0° |
| C8 | N4 | H25 | 118.4° | 120.1° |
| C8 | C9 | C11 | 118.3° | 117.5° |
| C8 | C9 | C10 | 117.6° | 117.5° |
| C8 | C9 | H27 | 116.9° | 115.5° |
| C10 | C11 | C9 | 61.2° | 60.0° |
| C11 | C10 | C9 | 60.8° | 60.0° |
| C11 | C10 | H4 | 119.9° | 117.5° |
| C11 | C10 | H5 | 119.8° | 117.5° |
| C10 | C11 | H14 | 119.8° | 117.5° |
| C10 | C11 | H15 | 119.8° | 117.5° |
| C11 | C9 | C10 | 58.0° | 60.0° |
| C9 | C11 | H14 | 119.8° | 117.5° |
| C9 | C11 | H15 | 119.8° | 117.5° |
| C11 | C9 | H27 | 116.5° | 117.5° |
| C9 | C10 | H4 | 119.9° | 117.5° |
| C9 | C10 | H5 | 119.9° | 117.5° |
| C10 | C9 | H27 | 116.4° | 117.5° |
| N3 | C6 | O1 | 119.6° | 120.0° |
| C6 | N3 | H1 | 120.0° | 120.1° |
| C6 | N3 | H2 | 120.0° | 120.0° |
| H1 | N3 | H2 | 120.0° | 120.0° |
| H4 | C10 | H5 | 109.5° | 115.6° |
| H6 | C13 | H7 | 109.4° | 109.4° |
| H14 | C11 | H15 | 109.5° | 115.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| H28 | C27 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H10 | 180.0° | 180.0° |
| C21 | C20 | C19 | H9 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C21 | C20 | C19 | C24 | 0.2° | 0.3° |
| C21 | C20 | C19 | C18 | 179.2° | 179.7° |
| C20 | C21 | C22 | H11 | 179.6° | 179.9° |
| C22 | C21 | C20 | C19 | 0.4° | 0.0° |
| C21 | C22 | C23 | H11 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.3° | 0.2° |
| C22 | C21 | C20 | H9 | 179.6° | 179.7° |
| C21 | C22 | C23 | H23 | 178.7° | 180.0° |
| C20 | C19 | C24 | C18 | 179.3° | 180.0° |
| C20 | C19 | C24 | C23 | 0.8° | 0.5° |
| C20 | C19 | C18 | C17 | 41.5° | 180.0° |
| C20 | C19 | C18 | C25 | 139.0° | 0.3° |
| C19 | C20 | C21 | H10 | 179.6° | 180.0° |
| C20 | C19 | C24 | H12 | 179.2° | 180.0° |
| C22 | C23 | C24 | C19 | 1.5° | 0.5° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C23 | C22 | C21 | H10 | 179.7° | 179.9° |
| C22 | C23 | C24 | H12 | 178.5° | 180.0° |
| C19 | C24 | C23 | H12 | 180.0° | 179.5° |
| C24 | C19 | C18 | C17 | 139.2° | 0.0° |
| C24 | C19 | C18 | C25 | 40.3° | 179.7° |
| C24 | C19 | C20 | H9 | 179.8° | 180.0° |
| C19 | C24 | C23 | H23 | 178.5° | 179.7° |
| C18 | C19 | C24 | C23 | 179.9° | 179.5° |
| C19 | C18 | C17 | C25 | 179.5° | 179.7° |
| C19 | C18 | C17 | C16 | 180.0° | 180.0° |
| C19 | C18 | C25 | C26 | 178.8° | 180.0° |
| C19 | C18 | C17 | H8 | 0.1° | 0.1° |
| C18 | C19 | C20 | H9 | 0.8° | 0.0° |
| C18 | C19 | C24 | H12 | 0.1° | 0.0° |
| C19 | C18 | C25 | H24 | 1.2° | 0.2° |
| C24 | C23 | C22 | H11 | 178.7° | 179.7° |
| C18 | C17 | C16 | H8 | 180.0° | 179.9° |
| C17 | C18 | C25 | C26 | 0.8° | 0.3° |
| C18 | C17 | C16 | C15 | 1.4° | 0.0° |
| C18 | C17 | C16 | H20 | 178.6° | 179.9° |
| C17 | C18 | C25 | H24 | 179.2° | 179.9° |
| C25 | C18 | C17 | C16 | 0.5° | 0.3° |
| C18 | C25 | C26 | H24 | 180.0° | 179.8° |
| C18 | C25 | C26 | C15 | 1.2° | 0.0° |
| C25 | C18 | C17 | H8 | 179.4° | 179.8° |
| C18 | C25 | C26 | H13 | 178.8° | 180.0° |
| C17 | C16 | C15 | H20 | 180.0° | 180.0° |
| C17 | C16 | C15 | C26 | 1.0° | 0.3° |
| C17 | C16 | C15 | C14 | 179.8° | 180.0° |
| C25 | C26 | C15 | C16 | 0.3° | 0.3° |
| C25 | C26 | C15 | H13 | 180.0° | 180.0° |
| C25 | C26 | C15 | C14 | 178.5° | 180.0° |
| C16 | C15 | C26 | C14 | 178.8° | 179.7° |
| C16 | C15 | C14 | N6 | 113.1° | 89.7° |
| C15 | C16 | C17 | H8 | 178.5° | 179.9° |
| C16 | C15 | C26 | H13 | 179.7° | 179.7° |
| C16 | C15 | C14 | H18 | 7.7° | 30.3° |
| C16 | C15 | C14 | H19 | 126.0° | 150.3° |
| C26 | C15 | C14 | N6 | 68.0° | 90.0° |
| C26 | C15 | C14 | H18 | 171.1° | 150.0° |
| C26 | C15 | C14 | H19 | 52.8° | 30.0° |
| C26 | C15 | C16 | H20 | 179.0° | 179.8° |
| C15 | C26 | C25 | H24 | 178.8° | 179.8° |
| C15 | C14 | N6 | H18 | 120.9° | 120.1° |
| C15 | C14 | N6 | H19 | 120.8° | 120.0° |
| C15 | C14 | N6 | C27 | 163.2° | 170.0° |
| C15 | C14 | N6 | C13 | 76.4° | 65.8° |
| C14 | C15 | C26 | H13 | 1.4° | 0.0° |
| C15 | C14 | H18 | H19 | 117.3° | 120.0° |
| C14 | C15 | C16 | H20 | 0.2° | 0.1° |
| C14 | N6 | C27 | C13 | 122.6° | 124.1° |
| C14 | N6 | C27 | C28 | 179.6° | 174.2° |
| C14 | N6 | C13 | C12 | 175.4° | 174.1° |
| C14 | N6 | C13 | H6 | 55.0° | 65.8° |
| C14 | N6 | C13 | H7 | 64.2° | 54.1° |
| N6 | C14 | H18 | H19 | 117.3° | 119.9° |
| C14 | N6 | C27 | H28 | 60.0° | 65.8° |
| C14 | N6 | C27 | H29 | 59.2° | 54.1° |
| N6 | C27 | C28 | H28 | 120.4° | 120.0° |
| N6 | C27 | C28 | H29 | 120.4° | 120.0° |
| C27 | N6 | C13 | C12 | 62.5° | 61.8° |
| N6 | C27 | C28 | F1 | 66.1° | 60.8° |
| N6 | C27 | C28 | C3 | 54.5° | 59.2° |
| C27 | N6 | C13 | H6 | 177.1° | 58.3° |
| C27 | N6 | C13 | H7 | 57.9° | 178.2° |
| C27 | N6 | C14 | H18 | 75.9° | 70.0° |
| C27 | N6 | C14 | H19 | 42.4° | 50.0° |
| N6 | C27 | H28 | H29 | 118.9° | 119.9° |
| N6 | C27 | C28 | H30 | 175.2° | 179.2° |
| C13 | N6 | C27 | C28 | 57.8° | 61.7° |
| N6 | C13 | C12 | H6 | 120.4° | 120.1° |
| N6 | C13 | C12 | H7 | 120.4° | 120.0° |
| N6 | C13 | C12 | C3 | 61.6° | 59.2° |
| N6 | C13 | H6 | H7 | 118.8° | 120.0° |
| N6 | C13 | C12 | H16 | 58.7° | 60.7° |
| N6 | C13 | C12 | H17 | 178.1° | 179.1° |
| C13 | N6 | C14 | H18 | 44.5° | 54.3° |
| C13 | N6 | C14 | H19 | 162.7° | 174.2° |
| C13 | N6 | C27 | H28 | 62.5° | 58.3° |
| C13 | N6 | C27 | H29 | 178.2° | 178.2° |
| C27 | C28 | F1 | C3 | 125.3° | 119.9° |
| C27 | C28 | F1 | H30 | 117.8° | 120.1° |
| C27 | C28 | C3 | H30 | 121.1° | 120.0° |
| C27 | C28 | C3 | C12 | 48.9° | 57.6° |
| C27 | C28 | C3 | C2 | 69.4° | 62.2° |
| C27 | C28 | C3 | N2 | 171.0° | 177.6° |
| C28 | C27 | H28 | H29 | 118.8° | 120.0° |
| C13 | C12 | C3 | C28 | 51.1° | 57.6° |
| C13 | C12 | C3 | H16 | 120.3° | 119.9° |
| C13 | C12 | C3 | H17 | 120.3° | 120.0° |
| C13 | C12 | C3 | C2 | 67.0° | 62.2° |
| C13 | C12 | C3 | N2 | 172.6° | 177.6° |
| C12 | C13 | H6 | H7 | 118.8° | 119.9° |
| C13 | C12 | H16 | H17 | 119.0° | 120.2° |
| F1 | C28 | C3 | H30 | 118.1° | 120.0° |
| F1 | C28 | C3 | C12 | 71.9° | 62.4° |
| F1 | C28 | C3 | C2 | 169.8° | 177.8° |
| F1 | C28 | C3 | N2 | 50.2° | 57.6° |
| F1 | C28 | C27 | H28 | 173.5° | 179.2° |
| F1 | C28 | C27 | H29 | 54.3° | 59.2° |
| C28 | C3 | C12 | C2 | 118.1° | 119.8° |
| C28 | C3 | C12 | N2 | 121.5° | 120.0° |
| C28 | C3 | C2 | N2 | 121.2° | 120.2° |
| C28 | C3 | C2 | C1 | 169.8° | 60.4° |
| C28 | C3 | N2 | N5 | 43.7° | 104.7° |
| C28 | C3 | N2 | C4 | 139.0° | 75.7° |
| C28 | C3 | C12 | H16 | 69.2° | 62.3° |
| C28 | C3 | C12 | H17 | 171.4° | 177.6° |
| C28 | C3 | C2 | H21 | 49.3° | 59.7° |
| C28 | C3 | C2 | H22 | 69.7° | 179.6° |
| C3 | C28 | C27 | H28 | 65.9° | 60.8° |
| C3 | C28 | C27 | H29 | 174.8° | 179.2° |
| C12 | C3 | C2 | N2 | 122.6° | 120.2° |
| C12 | C3 | C2 | C1 | 53.5° | 180.0° |
| C12 | C3 | N2 | N5 | 162.5° | 15.0° |
| C12 | C3 | N2 | C4 | 20.2° | 164.6° |
| C3 | C12 | C13 | H6 | 178.0° | 60.9° |
| C3 | C12 | C13 | H7 | 58.8° | 179.2° |
| C3 | C12 | H16 | H17 | 119.0° | 120.1° |
| C12 | C3 | C2 | H21 | 67.0° | 59.9° |
| C12 | C3 | C2 | H22 | 174.1° | 60.0° |
| C12 | C3 | C28 | H30 | 170.0° | 177.6° |
| C3 | C2 | C1 | H21 | 120.5° | 120.1° |
| C3 | C2 | C1 | H22 | 120.5° | 120.0° |
| C3 | C2 | C1 | N1 | 123.2° | 141.8° |
| C2 | C3 | N2 | N5 | 76.4° | 135.2° |
| C2 | C3 | N2 | C4 | 100.9° | 44.5° |
| C2 | C3 | C12 | H16 | 172.7° | 177.8° |
| C2 | C3 | C12 | H17 | 53.3° | 57.7° |
| C3 | C2 | H21 | H22 | 118.3° | 120.0° |
| C2 | C3 | C28 | H30 | 51.7° | 57.8° |
| C1 | C2 | C3 | N2 | 69.1° | 59.8° |
| C1 | C2 | H21 | H22 | 118.3° | 120.0° |
| C3 | N2 | N5 | C4 | 177.9° | 179.7° |
| C3 | N2 | N5 | C7 | 180.0° | 180.0° |
| C3 | N2 | C4 | C5 | 178.0° | 180.0° |
| C3 | N2 | C4 | H3 | 2.0° | 0.2° |
| N2 | C3 | C12 | H16 | 52.3° | 57.7° |
| N2 | C3 | C12 | H17 | 67.1° | 62.4° |
| N2 | C3 | C2 | H21 | 170.4° | 179.9° |
| N2 | C3 | C2 | H22 | 51.5° | 60.2° |
| N2 | C3 | C28 | H30 | 67.9° | 62.4° |
| N1 | C1 | C2 | H21 | 116.3° | 21.7° |
| N1 | C1 | C2 | H22 | 2.6° | 98.2° |
| N5 | N2 | C4 | C5 | 0.4° | 0.3° |
| N2 | N5 | C7 | C5 | 3.0° | 0.2° |
| N2 | N5 | C7 | N4 | 179.5° | 179.7° |
| N5 | N2 | C4 | H3 | 179.6° | 179.9° |
| C4 | N2 | N5 | C7 | 2.1° | 0.3° |
| N2 | C4 | C5 | H3 | 180.0° | 179.8° |
| N2 | C4 | C5 | C7 | 1.3° | 0.2° |
| N2 | C4 | C5 | C6 | 178.2° | 179.7° |
| N5 | C7 | C5 | C4 | 2.7° | 0.0° |
| N5 | C7 | C5 | N4 | 177.6° | 179.9° |
| N5 | C7 | C5 | C6 | 179.8° | 179.9° |
| N5 | C7 | N4 | C8 | 14.1° | 0.1° |
| N5 | C7 | N4 | H25 | 165.9° | 179.9° |
| C4 | C5 | C7 | C6 | 177.2° | 180.0° |
| C4 | C5 | C7 | N4 | 179.7° | 179.9° |
| C4 | C5 | C6 | N3 | 6.7° | 0.1° |
| C4 | C5 | C6 | O1 | 176.8° | 180.0° |
| O2 | C8 | N4 | C7 | 2.7° | 0.0° |
| O2 | C8 | N4 | C9 | 179.8° | 180.0° |
| O2 | C8 | C9 | C11 | 42.6° | 68.6° |
| O2 | C8 | C9 | C10 | 24.0° | 0.0° |
| O2 | C8 | N4 | H25 | 177.2° | 180.0° |
| O2 | C8 | C9 | H27 | 169.9° | 145.7° |
| C5 | C7 | N4 | C8 | 168.7° | 180.0° |
| C7 | C5 | C6 | N3 | 176.9° | 180.0° |
| C7 | C5 | C6 | O1 | 0.5° | 0.1° |
| C7 | C5 | C4 | H3 | 178.7° | 180.0° |
| C5 | C7 | N4 | H25 | 11.3° | 0.0° |
| N4 | C7 | C5 | C6 | 2.6° | 0.0° |
| C7 | N4 | C8 | H25 | 180.0° | 180.0° |
| C7 | N4 | C8 | C9 | 177.5° | 180.0° |
| C5 | C6 | N3 | O1 | 176.5° | 179.9° |
| C5 | C6 | N3 | H1 | 176.5° | 0.1° |
| C5 | C6 | N3 | H2 | 3.5° | 179.7° |
| C6 | C5 | C4 | H3 | 1.8° | 0.1° |
| N4 | C8 | C9 | C11 | 137.7° | 111.4° |
| N4 | C8 | C9 | C10 | 155.8° | 180.0° |
| N4 | C8 | C9 | H27 | 9.8° | 34.4° |
| C8 | C9 | C10 | C11 | 107.8° | 107.5° |
| C8 | C9 | C11 | H27 | 147.6° | 145.0° |
| C8 | C9 | C10 | H27 | 146.1° | 144.9° |
| C8 | C9 | C10 | H4 | 1.9° | 0.0° |
| C8 | C9 | C10 | H5 | 142.6° | 145.0° |
| C8 | C9 | C11 | H14 | 143.7° | 145.1° |
| C8 | C9 | C11 | H15 | 3.3° | 0.0° |
| C9 | C8 | N4 | H25 | 2.5° | 0.0° |
| C10 | C11 | C9 | H14 | 109.8° | 107.4° |
| C10 | C11 | C9 | H15 | 109.8° | 107.5° |
| C11 | C10 | C9 | H4 | 109.7° | 107.5° |
| C11 | C10 | C9 | H5 | 109.7° | 107.5° |
| C11 | C10 | H4 | H5 | 144.3° | 145.7° |
| C10 | C11 | H14 | H15 | 144.1° | 145.6° |
| C10 | C11 | C9 | H27 | 105.9° | 107.5° |
| C9 | C11 | H14 | H15 | 144.1° | 145.8° |
| C9 | C10 | H4 | H5 | 144.3° | 145.7° |
| C6 | N3 | H1 | H2 | 180.0° | 179.6° |
| O1 | C6 | N3 | H1 | 0.0° | 180.0° |
| O1 | C6 | N3 | H2 | 180.0° | 0.4° |
| H4 | C10 | C11 | H14 | 140.5° | 145.0° |
| H4 | C10 | C11 | H15 | 0.1° | 0.1° |
| H4 | C10 | C9 | H27 | 144.2° | 145.0° |
| H5 | C10 | C11 | H14 | 0.1° | 0.0° |
| H5 | C10 | C11 | H15 | 140.5° | 145.0° |
| H5 | C10 | C9 | H27 | 3.5° | 0.0° |
| H6 | C13 | C12 | H16 | 61.7° | 179.2° |
| H6 | C13 | C12 | H17 | 57.7° | 59.0° |
| H7 | C13 | C12 | H16 | 179.2° | 59.3° |
| H7 | C13 | C12 | H17 | 61.5° | 60.9° |
| H8 | C17 | C16 | H20 | 1.4° | 0.0° |
| H9 | C20 | C21 | H10 | 0.4° | 0.3° |
| H10 | C21 | C22 | H11 | 0.3° | 0.1° |
| H11 | C22 | C23 | H23 | 1.3° | 0.1° |
| H12 | C24 | C23 | H23 | 1.5° | 0.2° |
| H13 | C26 | C25 | H24 | 1.2° | 0.2° |
| H14 | C11 | C9 | H27 | 3.8° | 0.0° |
| H15 | C11 | C9 | H27 | 144.2° | 145.0° |
| H28 | C27 | C28 | H30 | 54.9° | 59.2° |
| H29 | C27 | C28 | H30 | 64.4° | 60.9° |
