KH8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.49Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| O3 | C25 | sing | 1.36Å | 1.39Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C27 | sing | 1.47Å | 1.48Å | |
| N6 | C13 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C28 | C3 | sing | 1.53Å | 1.54Å | |
| C12 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.47Å | 1.45Å | |
| C3 | N2 | sing | 1.47Å | 1.46Å | |
| C1 | N1 | trip | 1.14Å | 1.16Å | |
| N2 | N5 | sing | 1.40Å | 1.36Å | Aromatic |
| N2 | C4 | sing | 1.34Å | 1.33Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| O2 | C8 | doub | 1.21Å | 1.22Å | |
| C7 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| C7 | N4 | sing | 1.40Å | 1.42Å | |
| C5 | C6 | sing | 1.47Å | 1.46Å | |
| C8 | N4 | sing | 1.35Å | 1.37Å | |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C11 | C9 | sing | 1.53Å | 1.50Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C6 | N3 | sing | 1.35Å | 1.34Å | |
| C6 | O1 | doub | 1.22Å | 1.21Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 120.7° | 120.2° |
| C23 | C22 | C21 | 118.7° | 120.2° |
| C23 | C22 | H15 | 120.6° | 119.9° |
| C22 | C23 | H16 | 119.7° | 119.9° |
| C23 | C24 | C19 | 121.3° | 119.8° |
| C23 | C24 | H1 | 119.4° | 120.1° |
| C24 | C23 | H16 | 119.7° | 119.9° |
| C22 | C21 | C20 | 120.6° | 120.1° |
| C22 | C21 | H14 | 119.7° | 119.9° |
| C21 | C22 | H15 | 120.6° | 119.9° |
| C24 | C19 | C20 | 117.1° | 119.8° |
| C24 | C19 | C18 | 122.6° | 120.1° |
| C19 | C24 | H1 | 119.4° | 120.1° |
| C21 | C20 | C19 | 121.3° | 119.9° |
| C21 | C20 | H13 | 119.4° | 120.1° |
| C20 | C21 | H14 | 119.7° | 119.9° |
| C20 | C19 | C18 | 120.4° | 120.1° |
| C19 | C20 | H13 | 119.3° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.1° |
| C19 | C18 | C25 | 123.6° | 120.1° |
| C17 | C18 | C25 | 116.4° | 119.7° |
| C18 | C17 | C16 | 122.2° | 120.0° |
| C18 | C17 | H30 | 118.9° | 120.0° |
| C18 | C25 | O3 | 120.7° | 120.1° |
| C18 | C25 | C26 | 120.7° | 119.7° |
| C17 | C16 | C15 | 120.8° | 120.2° |
| C17 | C16 | H29 | 119.6° | 120.0° |
| C16 | C17 | H30 | 118.9° | 120.0° |
| O3 | C25 | C26 | 118.5° | 120.1° |
| C25 | O3 | H31 | 109.5° | 114.0° |
| C25 | C26 | C15 | 122.2° | 120.1° |
| C25 | C26 | H2 | 118.9° | 120.0° |
| C16 | C15 | C26 | 117.5° | 120.3° |
| C16 | C15 | C14 | 122.2° | 119.8° |
| C15 | C16 | H29 | 119.6° | 119.9° |
| C26 | C15 | C14 | 119.9° | 119.8° |
| C15 | C26 | H2 | 118.9° | 120.0° |
| C15 | C14 | N6 | 114.2° | 109.5° |
| C15 | C14 | H11 | 108.3° | 109.5° |
| C15 | C14 | H12 | 108.3° | 109.5° |
| C14 | N6 | C27 | 110.4° | 111.0° |
| C14 | N6 | C13 | 110.9° | 111.0° |
| N6 | C14 | H11 | 108.3° | 109.4° |
| N6 | C14 | H12 | 108.3° | 109.5° |
| C27 | N6 | C13 | 109.1° | 111.2° |
| N6 | C27 | C28 | 111.5° | 109.5° |
| N6 | C27 | H3 | 108.9° | 109.5° |
| N6 | C27 | H4 | 108.9° | 109.4° |
| N6 | C13 | C12 | 112.2° | 109.5° |
| N6 | C13 | H26 | 108.8° | 109.5° |
| N6 | C13 | H27 | 108.8° | 109.5° |
| C27 | C28 | C3 | 112.2° | 109.2° |
| C28 | C27 | H3 | 109.0° | 109.4° |
| C28 | C27 | H4 | 109.0° | 109.5° |
| C27 | C28 | H5 | 108.8° | 109.5° |
| C27 | C28 | H6 | 108.8° | 109.5° |
| C13 | C12 | C3 | 112.6° | 109.3° |
| C13 | C12 | H24 | 108.7° | 109.5° |
| C13 | C12 | H25 | 108.7° | 109.6° |
| C12 | C13 | H26 | 108.8° | 109.4° |
| C12 | C13 | H27 | 108.8° | 109.4° |
| C28 | C3 | C12 | 106.7° | 109.2° |
| C28 | C3 | C2 | 108.5° | 109.5° |
| C28 | C3 | N2 | 109.9° | 109.5° |
| C3 | C28 | H5 | 108.8° | 109.5° |
| C3 | C28 | H6 | 108.8° | 109.5° |
| C12 | C3 | C2 | 113.0° | 109.6° |
| C12 | C3 | N2 | 110.3° | 109.6° |
| C3 | C12 | H24 | 108.7° | 109.5° |
| C3 | C12 | H25 | 108.7° | 109.5° |
| C3 | C2 | C1 | 114.1° | 109.4° |
| C2 | C3 | N2 | 108.3° | 109.5° |
| C3 | C2 | H7 | 108.3° | 109.5° |
| C3 | C2 | H8 | 108.3° | 109.5° |
| C2 | C1 | N1 | 175.6° | 180.0° |
| C1 | C2 | H7 | 108.3° | 109.5° |
| C1 | C2 | H8 | 108.3° | 109.4° |
| C3 | N2 | N5 | 119.5° | 125.7° |
| C3 | N2 | C4 | 129.3° | 125.6° |
| N5 | N2 | C4 | 111.2° | 108.6° |
| N2 | N5 | C7 | 107.2° | 108.9° |
| N2 | C4 | C5 | 107.2° | 107.5° |
| N2 | C4 | H9 | 126.4° | 126.2° |
| N5 | C7 | C5 | 110.0° | 107.9° |
| N5 | C7 | N4 | 123.7° | 126.1° |
| C4 | C5 | C7 | 104.4° | 107.1° |
| C4 | C5 | C6 | 131.0° | 126.5° |
| C5 | C4 | H9 | 126.4° | 126.2° |
| O2 | C8 | N4 | 121.8° | 120.0° |
| O2 | C8 | C9 | 123.2° | 120.0° |
| C5 | C7 | N4 | 126.3° | 126.0° |
| C7 | C5 | C6 | 124.6° | 126.5° |
| C7 | N4 | C8 | 127.9° | 120.0° |
| C7 | N4 | H19 | 116.0° | 120.1° |
| C5 | C6 | N3 | 119.8° | 120.0° |
| C5 | C6 | O1 | 119.5° | 120.0° |
| N4 | C8 | C9 | 115.0° | 120.0° |
| C8 | N4 | H19 | 116.0° | 120.0° |
| C8 | C9 | C11 | 119.1° | 117.5° |
| C8 | C9 | C10 | 117.0° | 117.5° |
| C8 | C9 | H10 | 116.8° | 115.6° |
| C10 | C11 | C9 | 61.0° | 60.0° |
| C11 | C10 | C9 | 60.3° | 60.0° |
| C11 | C10 | H20 | 120.0° | 117.5° |
| C11 | C10 | H21 | 120.0° | 117.5° |
| C10 | C11 | H22 | 119.8° | 117.5° |
| C10 | C11 | H23 | 119.8° | 117.5° |
| C11 | C9 | C10 | 58.7° | 60.0° |
| C11 | C9 | H10 | 116.4° | 117.5° |
| C9 | C11 | H22 | 119.9° | 117.5° |
| C9 | C11 | H23 | 119.8° | 117.5° |
| C10 | C9 | H10 | 116.2° | 117.5° |
| C9 | C10 | H20 | 120.0° | 117.5° |
| C9 | C10 | H21 | 119.9° | 117.5° |
| N3 | C6 | O1 | 120.3° | 120.0° |
| C6 | N3 | H17 | 120.0° | 119.9° |
| C6 | N3 | H18 | 120.0° | 120.0° |
| H3 | C27 | H4 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.4° | 109.6° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H17 | N3 | H18 | 120.0° | 120.0° |
| H20 | C10 | H21 | 109.5° | 115.6° |
| H22 | C11 | H23 | 109.5° | 115.6° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | H15 | 180.0° | 179.1° |
| C22 | C23 | C24 | C19 | 1.3° | 0.0° |
| C23 | C22 | C21 | C20 | 6.3° | 0.8° |
| C22 | C23 | C24 | H1 | 178.7° | 179.7° |
| C23 | C22 | C21 | H14 | 173.7° | 179.8° |
| C24 | C23 | C22 | C21 | 3.6° | 0.6° |
| C23 | C24 | C19 | H1 | 180.0° | 179.7° |
| C23 | C24 | C19 | C20 | 3.3° | 0.3° |
| C23 | C24 | C19 | C18 | 177.7° | 179.7° |
| C24 | C23 | C22 | H15 | 176.4° | 179.7° |
| C22 | C21 | C20 | H14 | 180.0° | 179.4° |
| C22 | C21 | C20 | C19 | 4.3° | 0.5° |
| C22 | C21 | C20 | H13 | 175.7° | 179.5° |
| C21 | C22 | C23 | H16 | 176.4° | 179.5° |
| C24 | C19 | C20 | C21 | 0.6° | 0.0° |
| C24 | C19 | C20 | C18 | 179.0° | 180.0° |
| C24 | C19 | C18 | C17 | 147.6° | 50.0° |
| C24 | C19 | C18 | C25 | 38.6° | 130.0° |
| C24 | C19 | C20 | H13 | 179.4° | 179.9° |
| C19 | C24 | C23 | H16 | 178.7° | 180.0° |
| C21 | C20 | C19 | H13 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 179.6° | 180.0° |
| C20 | C21 | C22 | H15 | 173.7° | 180.0° |
| C20 | C19 | C18 | C17 | 31.4° | 130.0° |
| C20 | C19 | C18 | C25 | 142.5° | 50.0° |
| C20 | C19 | C24 | H1 | 176.7° | 180.0° |
| C19 | C20 | C21 | H14 | 175.7° | 180.0° |
| C19 | C18 | C17 | C25 | 174.3° | 179.9° |
| C19 | C18 | C17 | C16 | 174.5° | 180.0° |
| C19 | C18 | C25 | O3 | 6.9° | 0.3° |
| C19 | C18 | C25 | C26 | 176.0° | 180.0° |
| C18 | C19 | C24 | H1 | 2.3° | 0.1° |
| C18 | C19 | C20 | H13 | 0.4° | 0.0° |
| C19 | C18 | C17 | H30 | 5.6° | 0.1° |
| C18 | C17 | C16 | H30 | 180.0° | 179.9° |
| C17 | C18 | C25 | O3 | 179.1° | 179.8° |
| C17 | C18 | C25 | C26 | 2.0° | 0.0° |
| C18 | C17 | C16 | C15 | 3.2° | 0.1° |
| C18 | C17 | C16 | H29 | 176.8° | 180.0° |
| C25 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C25 | O3 | C26 | 177.2° | 179.7° |
| C18 | C25 | C26 | C15 | 0.5° | 0.0° |
| C18 | C25 | C26 | H2 | 179.5° | 180.0° |
| C25 | C18 | C17 | H30 | 179.9° | 180.0° |
| C18 | C25 | O3 | H31 | 180.0° | 90.3° |
| C17 | C16 | C15 | H29 | 180.0° | 179.9° |
| C17 | C16 | C15 | C26 | 4.5° | 0.1° |
| C17 | C16 | C15 | C14 | 177.5° | 179.9° |
| O3 | C25 | C26 | C15 | 177.7° | 179.8° |
| O3 | C25 | C26 | H2 | 2.3° | 0.3° |
| C25 | C26 | C15 | C16 | 2.7° | 0.0° |
| C25 | C26 | C15 | H2 | 180.0° | 180.0° |
| C25 | C26 | C15 | C14 | 175.9° | 180.0° |
| C26 | C25 | O3 | H31 | 2.8° | 89.9° |
| C16 | C15 | C26 | C14 | 173.2° | 180.0° |
| C16 | C15 | C14 | N6 | 81.6° | 89.9° |
| C16 | C15 | C26 | H2 | 177.2° | 180.0° |
| C16 | C15 | C14 | H11 | 157.7° | 30.0° |
| C16 | C15 | C14 | H12 | 39.1° | 150.0° |
| C15 | C16 | C17 | H30 | 176.8° | 180.0° |
| C26 | C15 | C14 | N6 | 91.3° | 90.0° |
| C26 | C15 | C14 | H11 | 29.4° | 150.0° |
| C26 | C15 | C14 | H12 | 148.0° | 30.0° |
| C26 | C15 | C16 | H29 | 175.5° | 180.0° |
| C15 | C14 | N6 | H11 | 120.7° | 120.0° |
| C15 | C14 | N6 | H12 | 120.7° | 120.0° |
| C15 | C14 | N6 | C27 | 170.2° | 170.0° |
| C15 | C14 | N6 | C13 | 68.9° | 65.8° |
| C14 | C15 | C26 | H2 | 4.1° | 0.0° |
| C15 | C14 | H11 | H12 | 117.8° | 120.0° |
| C14 | C15 | C16 | H29 | 2.4° | 0.0° |
| C14 | N6 | C27 | C13 | 122.0° | 124.1° |
| C14 | N6 | C27 | C28 | 179.8° | 174.1° |
| C14 | N6 | C13 | C12 | 179.8° | 174.1° |
| C14 | N6 | C27 | H3 | 59.9° | 54.2° |
| C14 | N6 | C27 | H4 | 59.5° | 65.9° |
| N6 | C14 | H11 | H12 | 117.8° | 120.0° |
| C14 | N6 | C13 | H26 | 59.4° | 65.9° |
| C14 | N6 | C13 | H27 | 59.8° | 54.2° |
| N6 | C27 | C28 | H3 | 120.3° | 120.0° |
| N6 | C27 | C28 | H4 | 120.3° | 120.0° |
| C27 | N6 | C13 | C12 | 58.5° | 61.8° |
| N6 | C27 | C28 | C3 | 58.3° | 59.2° |
| N6 | C27 | H3 | H4 | 119.0° | 120.0° |
| N6 | C27 | C28 | H5 | 178.7° | 179.1° |
| N6 | C27 | C28 | H6 | 62.2° | 60.7° |
| C27 | N6 | C14 | H11 | 69.1° | 70.0° |
| C27 | N6 | C14 | H12 | 49.5° | 50.0° |
| C27 | N6 | C13 | H26 | 178.9° | 58.2° |
| C27 | N6 | C13 | H27 | 61.9° | 178.3° |
| C13 | N6 | C27 | C28 | 58.2° | 61.8° |
| N6 | C13 | C12 | H26 | 120.4° | 120.0° |
| N6 | C13 | C12 | H27 | 120.4° | 120.0° |
| N6 | C13 | C12 | C3 | 58.5° | 59.2° |
| C13 | N6 | C27 | H3 | 62.1° | 178.3° |
| C13 | N6 | C27 | H4 | 178.5° | 58.2° |
| C13 | N6 | C14 | H11 | 51.9° | 54.2° |
| C13 | N6 | C14 | H12 | 170.4° | 174.2° |
| N6 | C13 | C12 | H24 | 62.0° | 179.1° |
| N6 | C13 | C12 | H25 | 179.0° | 60.8° |
| N6 | C13 | H26 | H27 | 118.8° | 120.0° |
| C27 | C28 | C3 | H5 | 120.4° | 119.9° |
| C27 | C28 | C3 | H6 | 120.4° | 119.9° |
| C27 | C28 | C3 | C12 | 53.7° | 57.7° |
| C27 | C28 | C3 | C2 | 68.4° | 62.3° |
| C27 | C28 | C3 | N2 | 173.4° | 177.6° |
| C28 | C27 | H3 | H4 | 119.1° | 120.0° |
| C27 | C28 | H5 | H6 | 118.7° | 120.1° |
| C13 | C12 | C3 | C28 | 53.8° | 57.7° |
| C13 | C12 | C3 | H24 | 120.5° | 119.9° |
| C13 | C12 | C3 | H25 | 120.5° | 120.0° |
| C13 | C12 | C3 | C2 | 65.4° | 62.2° |
| C13 | C12 | C3 | N2 | 173.2° | 177.6° |
| C13 | C12 | H24 | H25 | 118.6° | 120.2° |
| C12 | C13 | H26 | H27 | 118.8° | 120.0° |
| C28 | C3 | C12 | C2 | 119.2° | 119.9° |
| C28 | C3 | C12 | N2 | 119.4° | 119.9° |
| C28 | C3 | C2 | N2 | 119.3° | 120.1° |
| C28 | C3 | C2 | C1 | 173.6° | 180.0° |
| C28 | C3 | N2 | N5 | 42.2° | 15.1° |
| C28 | C3 | N2 | C4 | 138.1° | 164.5° |
| C3 | C28 | C27 | H3 | 62.0° | 179.2° |
| C3 | C28 | C27 | H4 | 178.6° | 60.8° |
| C3 | C28 | H5 | H6 | 118.7° | 120.1° |
| C28 | C3 | C2 | H7 | 52.9° | 60.0° |
| C28 | C3 | C2 | H8 | 65.7° | 60.1° |
| C28 | C3 | C12 | H24 | 66.6° | 177.6° |
| C28 | C3 | C12 | H25 | 174.3° | 62.3° |
| C12 | C3 | C2 | N2 | 122.5° | 120.2° |
| C12 | C3 | C2 | C1 | 55.4° | 60.3° |
| C12 | C3 | N2 | N5 | 159.6° | 134.8° |
| C12 | C3 | N2 | C4 | 20.6° | 44.8° |
| C12 | C3 | C28 | H5 | 174.1° | 177.6° |
| C12 | C3 | C28 | H6 | 66.7° | 62.2° |
| C12 | C3 | C2 | H7 | 65.3° | 179.7° |
| C12 | C3 | C2 | H8 | 176.1° | 59.6° |
| C3 | C12 | H24 | H25 | 118.6° | 120.0° |
| C3 | C12 | C13 | H26 | 178.9° | 60.8° |
| C3 | C12 | C13 | H27 | 61.9° | 179.2° |
| C3 | C2 | C1 | H7 | 120.7° | 120.0° |
| C3 | C2 | C1 | H8 | 120.7° | 119.9° |
| C3 | C2 | C1 | N1 | 61.1° | 107.8° |
| C2 | C3 | N2 | N5 | 76.2° | 105.0° |
| C2 | C3 | N2 | C4 | 103.6° | 75.4° |
| C2 | C3 | C28 | H5 | 52.0° | 57.6° |
| C2 | C3 | C28 | H6 | 171.1° | 177.8° |
| C3 | C2 | H7 | H8 | 117.9° | 120.0° |
| C2 | C3 | C12 | H24 | 174.2° | 57.7° |
| C2 | C3 | C12 | H25 | 55.1° | 177.7° |
| C1 | C2 | C3 | N2 | 67.1° | 59.9° |
| C1 | C2 | H7 | H8 | 117.9° | 120.0° |
| C3 | N2 | N5 | C4 | 179.8° | 179.7° |
| C3 | N2 | N5 | C7 | 178.4° | 180.0° |
| C3 | N2 | C4 | C5 | 178.1° | 180.0° |
| N2 | C3 | C28 | H5 | 66.2° | 62.5° |
| N2 | C3 | C28 | H6 | 52.9° | 57.7° |
| N2 | C3 | C2 | H7 | 172.2° | 60.1° |
| N2 | C3 | C2 | H8 | 53.6° | 179.9° |
| C3 | N2 | C4 | H9 | 1.9° | 0.2° |
| N2 | C3 | C12 | H24 | 52.8° | 62.5° |
| N2 | C3 | C12 | H25 | 66.3° | 57.5° |
| N1 | C1 | C2 | H7 | 59.6° | 12.2° |
| N1 | C1 | C2 | H8 | 178.2° | 132.2° |
| N5 | N2 | C4 | C5 | 1.7° | 0.4° |
| N2 | N5 | C7 | C5 | 0.5° | 0.2° |
| N2 | N5 | C7 | N4 | 179.0° | 179.8° |
| N5 | N2 | C4 | H9 | 178.4° | 179.9° |
| C4 | N2 | N5 | C7 | 1.4° | 0.4° |
| N2 | C4 | C5 | H9 | 180.0° | 179.7° |
| N2 | C4 | C5 | C7 | 1.3° | 0.3° |
| N2 | C4 | C5 | C6 | 178.6° | 179.7° |
| N5 | C7 | C5 | C4 | 0.4° | 0.0° |
| N5 | C7 | C5 | N4 | 179.5° | 180.0° |
| N5 | C7 | C5 | C6 | 179.4° | 179.9° |
| N5 | C7 | N4 | C8 | 17.3° | 0.0° |
| N5 | C7 | N4 | H19 | 162.7° | 179.9° |
| C4 | C5 | C7 | C6 | 179.8° | 179.9° |
| C4 | C5 | C7 | N4 | 179.9° | 180.0° |
| C4 | C5 | C6 | N3 | 6.2° | 0.1° |
| C4 | C5 | C6 | O1 | 178.7° | 180.0° |
| O2 | C8 | N4 | C7 | 7.3° | 0.0° |
| O2 | C8 | N4 | C9 | 178.3° | 179.9° |
| O2 | C8 | C9 | C11 | 36.4° | 68.8° |
| O2 | C8 | C9 | C10 | 31.0° | 0.1° |
| O2 | C8 | C9 | H10 | 175.4° | 145.5° |
| O2 | C8 | N4 | H19 | 172.7° | 179.9° |
| C5 | C7 | N4 | C8 | 163.3° | 180.0° |
| C7 | C5 | C6 | N3 | 173.6° | 180.0° |
| C7 | C5 | C6 | O1 | 1.1° | 0.1° |
| C7 | C5 | C4 | H9 | 178.8° | 180.0° |
| C5 | C7 | N4 | H19 | 16.8° | 0.0° |
| N4 | C7 | C5 | C6 | 0.1° | 0.0° |
| C7 | N4 | C8 | H19 | 180.0° | 180.0° |
| C7 | N4 | C8 | C9 | 174.4° | 180.0° |
| C5 | C6 | N3 | O1 | 172.4° | 179.9° |
| C6 | C5 | C4 | H9 | 1.4° | 0.1° |
| C5 | C6 | N3 | H17 | 172.4° | 0.0° |
| C5 | C6 | N3 | H18 | 7.6° | 180.0° |
| N4 | C8 | C9 | C11 | 145.3° | 111.3° |
| N4 | C8 | C9 | C10 | 147.2° | 179.9° |
| N4 | C8 | C9 | H10 | 2.9° | 34.4° |
| C8 | C9 | C10 | C11 | 109.2° | 107.5° |
| C8 | C9 | C11 | H10 | 148.4° | 145.0° |
| C8 | C9 | C10 | H10 | 144.5° | 145.0° |
| C9 | C8 | N4 | H19 | 5.6° | 0.0° |
| C8 | C9 | C10 | H20 | 0.4° | 145.0° |
| C8 | C9 | C10 | H21 | 141.2° | 0.1° |
| C8 | C9 | C11 | H22 | 144.6° | 0.0° |
| C8 | C9 | C11 | H23 | 4.1° | 145.0° |
| C10 | C11 | C9 | H22 | 109.8° | 107.5° |
| C10 | C11 | C9 | H23 | 109.7° | 107.5° |
| C11 | C10 | C9 | H20 | 109.6° | 107.5° |
| C11 | C10 | C9 | H21 | 109.6° | 107.4° |
| C10 | C11 | C9 | H10 | 106.0° | 107.5° |
| C11 | C10 | H20 | H21 | 144.6° | 145.6° |
| C10 | C11 | H22 | H23 | 144.1° | 145.8° |
| C9 | C11 | H22 | H23 | 144.2° | 145.7° |
| C9 | C10 | H20 | H21 | 144.6° | 145.8° |
| C6 | N3 | H17 | H18 | 180.0° | 180.0° |
| O1 | C6 | N3 | H17 | 0.0° | 180.0° |
| O1 | C6 | N3 | H18 | 180.0° | 0.1° |
| H1 | C24 | C23 | H16 | 1.3° | 0.3° |
| H3 | C27 | C28 | H5 | 58.4° | 60.9° |
| H3 | C27 | C28 | H6 | 177.6° | 59.3° |
| H4 | C27 | C28 | H5 | 61.0° | 59.1° |
| H4 | C27 | C28 | H6 | 58.1° | 179.3° |
| H10 | C9 | C10 | H20 | 144.1° | 0.0° |
| H10 | C9 | C10 | H21 | 3.3° | 145.0° |
| H10 | C9 | C11 | H22 | 3.8° | 145.0° |
| H10 | C9 | C11 | H23 | 144.3° | 0.0° |
| H13 | C20 | C21 | H14 | 4.3° | 0.1° |
| H14 | C21 | C22 | H15 | 6.3° | 0.6° |
| H15 | C22 | C23 | H16 | 3.6° | 0.3° |
| H20 | C10 | C11 | H22 | 140.7° | 145.1° |
| H20 | C10 | C11 | H23 | 0.2° | 0.1° |
| H21 | C10 | C11 | H22 | 0.2° | 0.1° |
| H21 | C10 | C11 | H23 | 140.7° | 145.0° |
| H24 | C12 | C13 | H26 | 58.5° | 59.1° |
| H24 | C12 | C13 | H27 | 177.6° | 60.9° |
| H25 | C12 | C13 | H26 | 60.6° | 179.2° |
| H25 | C12 | C13 | H27 | 58.6° | 59.2° |
| H29 | C16 | C17 | H30 | 3.2° | 0.1° |
