KS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C25 | sing | 1.51Å | 1.50Å | |
| C25 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | N27 | sing | 1.37Å | 1.37Å | Aromatic |
| C26 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| N27 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| O18 | C17 | doub | 1.22Å | 1.22Å | |
| C21 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | C17 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | doub | 1.36Å | 1.36Å | Aromatic |
| C22 | F29 | sing | 1.35Å | 1.34Å | |
| C17 | N16 | sing | 1.35Å | 1.35Å | |
| N16 | C14 | sing | 1.46Å | 1.47Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C15 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | N7 | sing | 1.47Å | 1.49Å | |
| N7 | C8 | sing | 1.47Å | 1.47Å | |
| N7 | C6 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C9 | N4 | sing | 1.47Å | 1.47Å | |
| C5 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C2 | sing | 1.35Å | 1.36Å | |
| C2 | O3 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| N16 | H28 | sing | 0.97Å | 1.00Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| N27 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C25 | C24 | 120.8° | 120.0° |
| C28 | C25 | C26 | 119.2° | 120.0° |
| C25 | C28 | H14 | 109.5° | 109.5° |
| C25 | C28 | H15 | 109.4° | 109.5° |
| C25 | C28 | H16 | 109.5° | 109.5° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C25 | C24 | C23 | 120.4° | 120.8° |
| C25 | C24 | H13 | 119.8° | 119.6° |
| C25 | C26 | N27 | 131.9° | 133.1° |
| C25 | C26 | C21 | 120.3° | 119.5° |
| C24 | C23 | C22 | 120.5° | 120.4° |
| C23 | C24 | H13 | 119.8° | 119.6° |
| C24 | C23 | H29 | 119.8° | 119.8° |
| N27 | C26 | C21 | 107.9° | 107.4° |
| C26 | N27 | C19 | 109.1° | 108.8° |
| C26 | N27 | H30 | 125.5° | 125.6° |
| C26 | C21 | C22 | 118.9° | 119.7° |
| C26 | C21 | C20 | 106.2° | 107.0° |
| N27 | C19 | C17 | 122.5° | 125.5° |
| N27 | C19 | C20 | 108.7° | 109.1° |
| C19 | N27 | H30 | 125.4° | 125.6° |
| C23 | C22 | C21 | 119.9° | 119.7° |
| C23 | C22 | F29 | 119.1° | 120.2° |
| C22 | C23 | H29 | 119.7° | 119.8° |
| O18 | C17 | C19 | 117.7° | 120.0° |
| O18 | C17 | N16 | 121.5° | 120.0° |
| C22 | C21 | C20 | 134.9° | 133.3° |
| C21 | C22 | F29 | 121.0° | 120.2° |
| C21 | C20 | C19 | 108.2° | 107.8° |
| C21 | C20 | H12 | 125.9° | 126.1° |
| C17 | C19 | C20 | 128.8° | 125.5° |
| C19 | C17 | N16 | 120.8° | 120.0° |
| C19 | C20 | H12 | 125.9° | 126.1° |
| C17 | N16 | C14 | 123.1° | 120.0° |
| C17 | N16 | H28 | 118.5° | 120.0° |
| N16 | C14 | C13 | 108.3° | 109.5° |
| N16 | C14 | C15 | 110.1° | 109.4° |
| N16 | C14 | H27 | 110.7° | 109.5° |
| C14 | N16 | H28 | 118.4° | 120.0° |
| C14 | C13 | C12 | 112.3° | 109.5° |
| C13 | C14 | C15 | 108.0° | 109.4° |
| C14 | C13 | H8 | 108.7° | 109.4° |
| C14 | C13 | H9 | 108.8° | 109.5° |
| C13 | C14 | H27 | 109.8° | 109.5° |
| C13 | C12 | C11 | 112.4° | 109.5° |
| C12 | C13 | H8 | 108.8° | 109.5° |
| C12 | C13 | H9 | 108.7° | 109.5° |
| C13 | C12 | H25 | 108.7° | 109.5° |
| C13 | C12 | H26 | 108.7° | 109.4° |
| C14 | C15 | C10 | 108.6° | 109.4° |
| C14 | C15 | H10 | 109.7° | 109.5° |
| C14 | C15 | H11 | 109.7° | 109.5° |
| C15 | C14 | H27 | 109.9° | 109.5° |
| C12 | C11 | C10 | 113.6° | 109.5° |
| C12 | C11 | H23 | 108.5° | 109.5° |
| C12 | C11 | H24 | 108.5° | 109.4° |
| C11 | C12 | H25 | 108.7° | 109.5° |
| C11 | C12 | H26 | 108.7° | 109.5° |
| C15 | C10 | C11 | 108.4° | 109.5° |
| C15 | C10 | N7 | 110.5° | 109.5° |
| C15 | C10 | H7 | 108.3° | 109.5° |
| C10 | C15 | H10 | 109.7° | 109.5° |
| C10 | C15 | H11 | 109.7° | 109.4° |
| C11 | C10 | N7 | 112.2° | 109.5° |
| C11 | C10 | H7 | 108.3° | 109.5° |
| C10 | C11 | H23 | 108.4° | 109.5° |
| C10 | C11 | H24 | 108.4° | 109.5° |
| C10 | N7 | C8 | 111.5° | 111.0° |
| C10 | N7 | C6 | 113.3° | 111.0° |
| N7 | C10 | H7 | 109.1° | 109.4° |
| C8 | N7 | C6 | 107.8° | 111.2° |
| N7 | C8 | C9 | 109.8° | 109.3° |
| N7 | C8 | H5 | 109.4° | 109.5° |
| N7 | C8 | H6 | 109.4° | 109.5° |
| N7 | C6 | C5 | 112.5° | 109.3° |
| N7 | C6 | H3 | 108.7° | 109.5° |
| N7 | C6 | H4 | 108.7° | 109.5° |
| C8 | C9 | N4 | 108.4° | 108.5° |
| C9 | C8 | H5 | 109.4° | 109.5° |
| C9 | C8 | H6 | 109.4° | 109.5° |
| C8 | C9 | H21 | 109.7° | 109.6° |
| C8 | C9 | H22 | 109.7° | 109.7° |
| C6 | C5 | N4 | 109.2° | 108.6° |
| C6 | C5 | H1 | 109.5° | 109.6° |
| C6 | C5 | H2 | 109.5° | 109.7° |
| C5 | C6 | H3 | 108.7° | 109.5° |
| C5 | C6 | H4 | 108.7° | 109.5° |
| C9 | N4 | C5 | 114.7° | 118.2° |
| C9 | N4 | C2 | 120.7° | 120.9° |
| N4 | C9 | H21 | 109.7° | 109.6° |
| N4 | C9 | H22 | 109.7° | 109.7° |
| C5 | N4 | C2 | 124.6° | 120.9° |
| N4 | C5 | H1 | 109.6° | 109.7° |
| N4 | C5 | H2 | 109.6° | 109.6° |
| N4 | C2 | O3 | 118.0° | 120.0° |
| N4 | C2 | C1 | 124.6° | 120.0° |
| O3 | C2 | C1 | 117.4° | 120.0° |
| C2 | C1 | H17 | 109.5° | 109.4° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.6° |
| H3 | C6 | H4 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H14 | C28 | H16 | 109.4° | 109.4° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.4° | 109.5° |
| H17 | C1 | H19 | 109.5° | 109.4° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.5° | 109.8° |
| H23 | C11 | H24 | 109.4° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C25 | C24 | C26 | 179.8° | 179.6° |
| C28 | C25 | C24 | C23 | 179.8° | 180.0° |
| C28 | C25 | C26 | N27 | 0.4° | 0.3° |
| C28 | C25 | C26 | C21 | 179.6° | 180.0° |
| C28 | C25 | C24 | H13 | 0.2° | 0.2° |
| C25 | C28 | H14 | H15 | 120.0° | 120.0° |
| C25 | C28 | H14 | H16 | 120.0° | 120.0° |
| C25 | C28 | H15 | H16 | 120.0° | 120.0° |
| C25 | C24 | C23 | H13 | 180.0° | 179.8° |
| C24 | C25 | C26 | N27 | 179.8° | 179.9° |
| C24 | C25 | C26 | C21 | 0.2° | 0.4° |
| C25 | C24 | C23 | C22 | 0.1° | 0.2° |
| C24 | C25 | C28 | H14 | 90.1° | 90.0° |
| C24 | C25 | C28 | H15 | 149.9° | 150.0° |
| C24 | C25 | C28 | H16 | 29.9° | 30.0° |
| C25 | C24 | C23 | H29 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.0° | 0.4° |
| C25 | C26 | N27 | C21 | 180.0° | 179.7° |
| C25 | C26 | N27 | C19 | 179.8° | 179.9° |
| C25 | C26 | C21 | C22 | 0.3° | 0.2° |
| C25 | C26 | C21 | C20 | 179.9° | 179.8° |
| C26 | C25 | C24 | H13 | 180.0° | 179.8° |
| C26 | C25 | C28 | H14 | 90.1° | 89.6° |
| C26 | C25 | C28 | H15 | 29.9° | 30.4° |
| C26 | C25 | C28 | H16 | 149.9° | 150.4° |
| C25 | C26 | N27 | H30 | 0.2° | 0.2° |
| C24 | C23 | C22 | H29 | 180.0° | 179.8° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C24 | C23 | C22 | F29 | 179.8° | 180.0° |
| C26 | N27 | C19 | H30 | 180.0° | 179.8° |
| N27 | C26 | C21 | C22 | 179.7° | 180.0° |
| N27 | C26 | C21 | C20 | 0.1° | 0.0° |
| C26 | N27 | C19 | C17 | 179.1° | 179.8° |
| C26 | N27 | C19 | C20 | 0.3° | 0.4° |
| C21 | C26 | N27 | C19 | 0.2° | 0.2° |
| C26 | C21 | C22 | C23 | 0.2° | 0.0° |
| C26 | C21 | C22 | C20 | 179.5° | 180.0° |
| C26 | C21 | C20 | C19 | 0.1° | 0.2° |
| C26 | C21 | C22 | F29 | 179.9° | 180.0° |
| C26 | C21 | C20 | H12 | 179.9° | 180.0° |
| C21 | C26 | N27 | H30 | 179.8° | 179.9° |
| N27 | C19 | C17 | O18 | 17.8° | 179.8° |
| N27 | C19 | C20 | C21 | 0.2° | 0.4° |
| N27 | C19 | C17 | C20 | 178.6° | 179.8° |
| N27 | C19 | C17 | N16 | 161.4° | 0.2° |
| N27 | C19 | C20 | H12 | 179.8° | 179.9° |
| C23 | C22 | C21 | F29 | 179.7° | 180.0° |
| C23 | C22 | C21 | C20 | 179.7° | 180.0° |
| C22 | C23 | C24 | H13 | 179.9° | 180.0° |
| O18 | C17 | C19 | N16 | 179.2° | 180.0° |
| O18 | C17 | C19 | C20 | 163.6° | 0.1° |
| O18 | C17 | N16 | C14 | 0.3° | 0.0° |
| O18 | C17 | N16 | H28 | 179.7° | 180.0° |
| C22 | C21 | C20 | C19 | 179.5° | 179.8° |
| C22 | C21 | C20 | H12 | 0.5° | 0.0° |
| C21 | C22 | C23 | H29 | 180.0° | 179.8° |
| C21 | C20 | C19 | C17 | 179.0° | 179.8° |
| C21 | C20 | C19 | H12 | 180.0° | 179.8° |
| C20 | C21 | C22 | F29 | 0.6° | 0.0° |
| C19 | C17 | N16 | C14 | 178.9° | 180.0° |
| C17 | C19 | C20 | H12 | 1.1° | 0.0° |
| C19 | C17 | N16 | H28 | 1.1° | 0.0° |
| C17 | C19 | N27 | H30 | 0.9° | 0.1° |
| C20 | C19 | C17 | N16 | 17.2° | 180.0° |
| C20 | C19 | N27 | H30 | 179.7° | 179.8° |
| F29 | C22 | C23 | H29 | 0.2° | 0.2° |
| C17 | N16 | C14 | H28 | 180.0° | 180.0° |
| C17 | N16 | C14 | C13 | 88.2° | 85.0° |
| C17 | N16 | C14 | C15 | 153.9° | 155.0° |
| C17 | N16 | C14 | H27 | 32.2° | 35.0° |
| N16 | C14 | C13 | C15 | 119.2° | 119.9° |
| N16 | C14 | C13 | H27 | 121.0° | 120.1° |
| N16 | C14 | C13 | C12 | 178.1° | 180.0° |
| N16 | C14 | C15 | H27 | 122.3° | 120.0° |
| N16 | C14 | C15 | C10 | 175.8° | 180.0° |
| N16 | C14 | C13 | H8 | 57.7° | 60.0° |
| N16 | C14 | C13 | H9 | 61.5° | 59.9° |
| N16 | C14 | C15 | H10 | 55.9° | 60.0° |
| N16 | C14 | C15 | H11 | 64.4° | 60.1° |
| C14 | C13 | C12 | H8 | 120.4° | 120.0° |
| C14 | C13 | C12 | H9 | 120.4° | 120.0° |
| C13 | C14 | C15 | H27 | 119.7° | 120.0° |
| C14 | C13 | C12 | C11 | 49.2° | 60.0° |
| C13 | C14 | C15 | C10 | 66.2° | 60.0° |
| C14 | C13 | H8 | H9 | 118.7° | 120.0° |
| C13 | C14 | C15 | H10 | 174.0° | 60.0° |
| C13 | C14 | C15 | H11 | 53.7° | 179.9° |
| C14 | C13 | C12 | H25 | 169.6° | 179.9° |
| C14 | C13 | C12 | H26 | 71.2° | 60.0° |
| C13 | C14 | N16 | H28 | 91.8° | 94.9° |
| C12 | C13 | C14 | C15 | 58.8° | 60.0° |
| C13 | C12 | C11 | H25 | 120.4° | 120.0° |
| C13 | C12 | C11 | H26 | 120.4° | 119.9° |
| C13 | C12 | C11 | C10 | 47.1° | 60.0° |
| C12 | C13 | H8 | H9 | 118.7° | 120.0° |
| C13 | C12 | C11 | H23 | 73.6° | 179.9° |
| C13 | C12 | C11 | H24 | 167.7° | 60.0° |
| C13 | C12 | H25 | H26 | 118.7° | 119.9° |
| C12 | C13 | C14 | H27 | 61.0° | 60.0° |
| C14 | C15 | C10 | H10 | 119.9° | 120.1° |
| C14 | C15 | C10 | H11 | 119.9° | 119.9° |
| C14 | C15 | C10 | C11 | 63.5° | 60.1° |
| C14 | C15 | C10 | N7 | 173.3° | 179.9° |
| C14 | C15 | C10 | H7 | 53.8° | 60.0° |
| C15 | C14 | C13 | H8 | 61.6° | 179.9° |
| C15 | C14 | C13 | H9 | 179.2° | 60.0° |
| C14 | C15 | H10 | H11 | 120.4° | 120.1° |
| C15 | C14 | N16 | H28 | 26.1° | 25.0° |
| C12 | C11 | C10 | C15 | 53.9° | 60.0° |
| C12 | C11 | C10 | H23 | 120.6° | 120.0° |
| C12 | C11 | C10 | H24 | 120.6° | 120.0° |
| C12 | C11 | C10 | N7 | 176.2° | 180.0° |
| C12 | C11 | C10 | H7 | 63.4° | 60.0° |
| C11 | C12 | C13 | H8 | 71.2° | 180.0° |
| C11 | C12 | C13 | H9 | 169.6° | 60.0° |
| C12 | C11 | H23 | H24 | 118.1° | 120.0° |
| C11 | C12 | H25 | H26 | 118.7° | 120.0° |
| C15 | C10 | C11 | N7 | 122.3° | 120.0° |
| C15 | C10 | C11 | H7 | 117.3° | 120.1° |
| C15 | C10 | N7 | H7 | 119.0° | 120.0° |
| C15 | C10 | N7 | C8 | 75.2° | 170.0° |
| C15 | C10 | N7 | C6 | 163.1° | 65.7° |
| C10 | C15 | H10 | H11 | 120.4° | 120.0° |
| C15 | C10 | C11 | H23 | 66.7° | 180.0° |
| C15 | C10 | C11 | H24 | 174.5° | 59.9° |
| C10 | C15 | C14 | H27 | 53.5° | 60.0° |
| C11 | C10 | N7 | H7 | 120.0° | 120.0° |
| C11 | C10 | N7 | C8 | 163.8° | 70.0° |
| C11 | C10 | N7 | C6 | 42.1° | 54.3° |
| C11 | C10 | C15 | H10 | 176.7° | 60.0° |
| C11 | C10 | C15 | H11 | 56.4° | 180.0° |
| C10 | C11 | H23 | H24 | 118.1° | 120.0° |
| C10 | C11 | C12 | H25 | 167.5° | 180.0° |
| C10 | C11 | C12 | H26 | 73.4° | 60.0° |
| C10 | N7 | C8 | C6 | 124.9° | 124.1° |
| C10 | N7 | C8 | C9 | 171.8° | 172.7° |
| C10 | N7 | C6 | C5 | 176.5° | 172.8° |
| C10 | N7 | C6 | H3 | 56.0° | 67.3° |
| C10 | N7 | C6 | H4 | 63.1° | 52.7° |
| C10 | N7 | C8 | H5 | 68.2° | 67.2° |
| C10 | N7 | C8 | H6 | 51.7° | 52.8° |
| N7 | C10 | C15 | H10 | 53.4° | 60.0° |
| N7 | C10 | C15 | H11 | 66.9° | 60.0° |
| N7 | C10 | C11 | H23 | 55.6° | 60.0° |
| N7 | C10 | C11 | H24 | 63.2° | 60.0° |
| N7 | C8 | C9 | H5 | 120.0° | 120.0° |
| N7 | C8 | C9 | H6 | 120.1° | 119.9° |
| C8 | N7 | C6 | C5 | 59.7° | 63.1° |
| N7 | C8 | C9 | N4 | 61.0° | 53.9° |
| C8 | N7 | C6 | H3 | 179.8° | 56.8° |
| C8 | N7 | C6 | H4 | 60.7° | 176.9° |
| N7 | C8 | H5 | H6 | 119.8° | 120.1° |
| C8 | N7 | C10 | H7 | 43.8° | 50.0° |
| N7 | C8 | C9 | H21 | 179.2° | 173.5° |
| N7 | C8 | C9 | H22 | 58.8° | 65.8° |
| C6 | N7 | C8 | C9 | 63.3° | 63.1° |
| N7 | C6 | C5 | H3 | 120.5° | 119.9° |
| N7 | C6 | C5 | H4 | 120.5° | 120.0° |
| N7 | C6 | C5 | N4 | 52.9° | 53.8° |
| N7 | C6 | C5 | H1 | 67.0° | 66.0° |
| N7 | C6 | C5 | H2 | 172.9° | 173.6° |
| N7 | C6 | H3 | H4 | 118.6° | 120.1° |
| C6 | N7 | C8 | H5 | 56.7° | 56.9° |
| C6 | N7 | C8 | H6 | 176.6° | 176.9° |
| C6 | N7 | C10 | H7 | 77.9° | 174.3° |
| C8 | C9 | N4 | H21 | 119.8° | 119.6° |
| C8 | C9 | N4 | H22 | 119.8° | 119.8° |
| C8 | C9 | N4 | C5 | 55.8° | 51.2° |
| C8 | C9 | N4 | C2 | 124.6° | 128.8° |
| C9 | C8 | H5 | H6 | 119.9° | 120.0° |
| C8 | C9 | H21 | H22 | 120.5° | 120.5° |
| C6 | C5 | N4 | C9 | 51.4° | 51.2° |
| C6 | C5 | N4 | H1 | 119.9° | 119.8° |
| C6 | C5 | N4 | H2 | 119.9° | 119.9° |
| C6 | C5 | N4 | C2 | 129.0° | 128.8° |
| C6 | C5 | H1 | H2 | 120.1° | 120.5° |
| C5 | C6 | H3 | H4 | 118.6° | 120.1° |
| C9 | N4 | C5 | C2 | 179.6° | 179.9° |
| C9 | N4 | C2 | O3 | 0.1° | 180.0° |
| C9 | N4 | C2 | C1 | 179.5° | 0.1° |
| C9 | N4 | C5 | H1 | 68.5° | 68.5° |
| C9 | N4 | C5 | H2 | 171.4° | 171.1° |
| N4 | C9 | C8 | H5 | 59.1° | 66.1° |
| N4 | C9 | C8 | H6 | 179.0° | 173.8° |
| N4 | C9 | H21 | H22 | 120.5° | 120.5° |
| C5 | N4 | C2 | O3 | 179.7° | 0.1° |
| C5 | N4 | C2 | C1 | 0.1° | 180.0° |
| N4 | C5 | H1 | H2 | 120.2° | 120.4° |
| N4 | C5 | C6 | H3 | 173.4° | 66.1° |
| N4 | C5 | C6 | H4 | 67.5° | 173.9° |
| C5 | N4 | C9 | H21 | 175.6° | 170.9° |
| C5 | N4 | C9 | H22 | 64.0° | 68.5° |
| N4 | C2 | O3 | C1 | 179.6° | 179.9° |
| C2 | N4 | C5 | H1 | 111.1° | 111.4° |
| C2 | N4 | C5 | H2 | 9.1° | 9.0° |
| N4 | C2 | C1 | H17 | 179.6° | 180.0° |
| N4 | C2 | C1 | H18 | 59.6° | 60.0° |
| N4 | C2 | C1 | H19 | 60.4° | 60.0° |
| C2 | N4 | C9 | H21 | 4.8° | 9.2° |
| C2 | N4 | C9 | H22 | 115.6° | 111.4° |
| O3 | C2 | C1 | H17 | 0.0° | 0.1° |
| O3 | C2 | C1 | H18 | 120.0° | 120.0° |
| O3 | C2 | C1 | H19 | 120.0° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| H1 | C5 | C6 | H3 | 53.4° | 174.1° |
| H1 | C5 | C6 | H4 | 172.5° | 54.1° |
| H2 | C5 | C6 | H3 | 66.7° | 53.7° |
| H2 | C5 | C6 | H4 | 52.4° | 66.3° |
| H5 | C8 | C9 | H21 | 60.8° | 53.5° |
| H5 | C8 | C9 | H22 | 178.9° | 174.1° |
| H6 | C8 | C9 | H21 | 59.1° | 66.5° |
| H6 | C8 | C9 | H22 | 61.2° | 54.1° |
| H7 | C10 | C15 | H10 | 66.1° | 180.0° |
| H7 | C10 | C15 | H11 | 173.7° | 60.0° |
| H7 | C10 | C11 | H23 | 176.0° | 59.9° |
| H7 | C10 | C11 | H24 | 57.2° | 180.0° |
| H8 | C13 | C12 | H25 | 49.2° | 59.9° |
| H8 | C13 | C12 | H26 | 168.4° | 60.0° |
| H8 | C13 | C14 | H27 | 178.6° | 60.1° |
| H9 | C13 | C12 | H25 | 69.9° | 60.0° |
| H9 | C13 | C12 | H26 | 49.2° | 180.0° |
| H9 | C13 | C14 | H27 | 59.4° | 180.0° |
| H10 | C15 | C14 | H27 | 66.3° | 180.0° |
| H11 | C15 | C14 | H27 | 173.4° | 59.9° |
| H13 | C24 | C23 | H29 | 0.1° | 0.2° |
| H14 | C28 | H15 | H16 | 120.0° | 120.0° |
| H17 | C1 | H18 | H19 | 120.0° | 120.0° |
| H23 | C11 | C12 | H25 | 46.9° | 60.0° |
| H23 | C11 | C12 | H26 | 166.0° | 60.0° |
| H24 | C11 | C12 | H25 | 71.9° | 60.0° |
| H24 | C11 | C12 | H26 | 47.2° | 180.0° |
| H27 | C14 | N16 | H28 | 147.8° | 145.0° |
