TXF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C26 | sing | 1.36Å | 1.36Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | C11 | sing | 1.48Å | 1.52Å | |
| C11 | C12 | doub | 1.36Å | 1.33Å | |
| C11 | C8 | sing | 1.48Å | 1.50Å | |
| C12 | C17 | sing | 1.47Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C17 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | sing | 1.43Å | 1.42Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| N1 | C31 | sing | 1.47Å | 1.48Å | |
| N1 | C30 | sing | 1.47Å | 1.48Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O29 | H29 | 109.5° | 106.8° |
| O29 | C26 | C25 | 119.6° | 119.9° |
| O29 | C26 | C27 | 120.4° | 119.9° |
| C25 | C26 | C27 | 120.0° | 120.2° |
| C26 | C25 | C24 | 120.3° | 120.1° |
| C26 | C25 | H25 | 119.9° | 119.9° |
| C26 | C27 | C28 | 119.8° | 120.1° |
| C26 | C27 | H27 | 120.1° | 119.9° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C25 | C24 | C23 | 120.7° | 119.9° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| C23 | C24 | H24 | 119.7° | 120.0° |
| C24 | C23 | C28 | 118.2° | 119.8° |
| C24 | C23 | C11 | 122.4° | 120.1° |
| C28 | C27 | H27 | 120.1° | 120.0° |
| C27 | C28 | C23 | 121.0° | 119.9° |
| C27 | C28 | H28 | 119.5° | 120.0° |
| C23 | C28 | H28 | 119.5° | 120.1° |
| C28 | C23 | C11 | 119.3° | 120.1° |
| C23 | C11 | C12 | 124.9° | 120.0° |
| C23 | C11 | C8 | 112.4° | 120.0° |
| C12 | C11 | C8 | 122.7° | 120.0° |
| C11 | C12 | C17 | 121.0° | 120.0° |
| C11 | C12 | C13 | 122.8° | 120.0° |
| C11 | C8 | C7 | 120.7° | 120.1° |
| C11 | C8 | C9 | 118.9° | 120.1° |
| C17 | C12 | C13 | 116.1° | 120.0° |
| C12 | C17 | C22 | 120.7° | 120.2° |
| C12 | C17 | C18 | 119.4° | 120.2° |
| C12 | C13 | C14 | 113.3° | 109.5° |
| C12 | C13 | H131 | 107.3° | 109.4° |
| C12 | C13 | H132 | 108.2° | 109.5° |
| C22 | C17 | C18 | 119.9° | 119.7° |
| C17 | C22 | C21 | 119.5° | 119.8° |
| C17 | C22 | H22 | 120.3° | 120.1° |
| C17 | C18 | C19 | 120.4° | 119.8° |
| C17 | C18 | H18 | 119.8° | 120.1° |
| C21 | C22 | H22 | 120.3° | 120.1° |
| C22 | C21 | C20 | 120.6° | 120.2° |
| C22 | C21 | H21 | 119.7° | 119.9° |
| C20 | C21 | H21 | 119.7° | 119.9° |
| C21 | C20 | C19 | 120.0° | 120.3° |
| C21 | C20 | H20 | 120.0° | 119.8° |
| C19 | C20 | H20 | 120.0° | 119.9° |
| C20 | C19 | C18 | 119.7° | 120.2° |
| C20 | C19 | H19 | 120.2° | 119.8° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| C19 | C18 | H18 | 119.8° | 120.1° |
| C14 | C13 | H131 | 107.3° | 109.5° |
| C14 | C13 | H132 | 108.2° | 109.5° |
| C13 | C14 | C15 | 109.1° | 109.4° |
| C13 | C14 | H141 | 109.7° | 109.5° |
| C13 | C14 | H142 | 109.6° | 109.5° |
| H131 | C13 | H132 | 112.5° | 109.5° |
| C15 | C14 | H141 | 109.7° | 109.5° |
| C15 | C14 | H142 | 109.6° | 109.4° |
| C14 | C15 | O16 | 112.9° | 109.5° |
| C14 | C15 | H151 | 107.6° | 109.5° |
| C14 | C15 | H152 | 108.4° | 109.5° |
| H141 | C14 | H142 | 109.2° | 109.5° |
| O16 | C15 | H151 | 107.6° | 109.4° |
| O16 | C15 | H152 | 108.3° | 109.4° |
| C15 | O16 | H16 | 109.5° | 106.9° |
| H151 | C15 | H152 | 112.2° | 109.4° |
| C7 | C8 | C9 | 120.2° | 119.8° |
| C8 | C7 | C6 | 119.7° | 119.9° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C8 | C9 | C10 | 120.1° | 119.9° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.1° |
| C7 | C6 | C5 | 119.8° | 120.1° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C5 | C6 | H6 | 120.1° | 119.9° |
| C6 | C5 | C10 | 119.8° | 120.1° |
| C6 | C5 | O4 | 119.7° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.1° |
| C9 | C10 | C5 | 120.3° | 120.1° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C5 | C10 | H10 | 119.9° | 119.9° |
| C10 | C5 | O4 | 120.4° | 119.9° |
| C5 | O4 | C3 | 121.8° | 106.8° |
| O4 | C3 | C2 | 110.2° | 109.5° |
| O4 | C3 | H31 | 109.1° | 109.4° |
| O4 | C3 | H32 | 109.3° | 109.5° |
| C2 | C3 | H31 | 109.1° | 109.5° |
| C2 | C3 | H32 | 109.3° | 109.5° |
| C3 | C2 | N1 | 110.5° | 109.5° |
| C3 | C2 | H21A | 108.9° | 109.5° |
| C3 | C2 | H22A | 109.1° | 109.5° |
| H31 | C3 | H32 | 110.0° | 109.5° |
| N1 | C2 | H21A | 108.9° | 109.4° |
| N1 | C2 | H22A | 109.1° | 109.5° |
| C2 | N1 | C31 | 111.7° | 106.6° |
| C2 | N1 | C30 | 108.4° | 106.7° |
| H21A | C2 | H22A | 110.3° | 109.5° |
| C31 | N1 | C30 | 112.7° | 106.7° |
| N1 | C31 | H311 | 109.5° | 109.5° |
| N1 | C31 | H312 | 109.5° | 109.5° |
| N1 | C31 | H313 | 109.5° | 109.5° |
| N1 | C30 | H301 | 109.5° | 109.5° |
| N1 | C30 | H302 | 109.5° | 109.5° |
| N1 | C30 | H303 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.4° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C26 | C25 | C27 | 179.6° | 180.0° |
| O29 | C26 | C25 | C24 | 179.5° | 180.0° |
| O29 | C26 | C25 | H25 | 0.5° | 0.0° |
| O29 | C26 | C27 | C28 | 179.9° | 179.8° |
| O29 | C26 | C27 | H27 | 0.2° | 0.1° |
| H29 | O29 | C26 | C25 | 83.8° | 90.0° |
| H29 | O29 | C26 | C27 | 96.6° | 90.0° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.7° | 0.0° |
| C26 | C25 | C24 | H24 | 178.4° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.3° |
| C25 | C26 | C27 | H27 | 179.5° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | H25 | 179.8° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C23 | 0.3° | 0.5° |
| C26 | C27 | C28 | H28 | 179.6° | 180.0° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C25 | C24 | C23 | C28 | 2.5° | 0.3° |
| C25 | C24 | C23 | C11 | 178.8° | 180.0° |
| H25 | C25 | C24 | C23 | 178.3° | 180.0° |
| H25 | C25 | C24 | H24 | 1.7° | 0.0° |
| C24 | C23 | C28 | C27 | 1.8° | 0.5° |
| C24 | C23 | C28 | C11 | 176.4° | 179.7° |
| C24 | C23 | C28 | H28 | 178.2° | 180.0° |
| C24 | C23 | C11 | C12 | 46.8° | 115.1° |
| C24 | C23 | C11 | C8 | 134.2° | 65.0° |
| H24 | C24 | C23 | C28 | 177.5° | 179.8° |
| H24 | C24 | C23 | C11 | 1.2° | 0.1° |
| C27 | C28 | C23 | H28 | 180.0° | 179.5° |
| C27 | C28 | C23 | C11 | 178.3° | 179.7° |
| H27 | C27 | C28 | C23 | 179.7° | 179.8° |
| H27 | C27 | C28 | H28 | 0.3° | 0.3° |
| C28 | C23 | C11 | C12 | 136.9° | 65.2° |
| C28 | C23 | C11 | C8 | 42.1° | 114.7° |
| H28 | C28 | C23 | C11 | 1.7° | 0.2° |
| C23 | C11 | C12 | C8 | 178.9° | 179.9° |
| C23 | C11 | C12 | C17 | 179.5° | 5.4° |
| C23 | C11 | C12 | C13 | 0.4° | 174.6° |
| C23 | C11 | C8 | C7 | 121.7° | 111.7° |
| C23 | C11 | C8 | C9 | 53.3° | 68.3° |
| C11 | C12 | C17 | C13 | 179.9° | 179.9° |
| C11 | C12 | C17 | C22 | 117.1° | 115.0° |
| C11 | C12 | C17 | C18 | 65.2° | 65.2° |
| C11 | C12 | C13 | C14 | 107.1° | 93.9° |
| C11 | C12 | C13 | H131 | 134.6° | 146.1° |
| C11 | C12 | C13 | H132 | 12.9° | 26.1° |
| C12 | C11 | C8 | C7 | 57.3° | 68.2° |
| C12 | C11 | C8 | C9 | 127.8° | 111.8° |
| C8 | C11 | C12 | C17 | 1.7° | 174.6° |
| C8 | C11 | C12 | C13 | 178.5° | 5.5° |
| C11 | C8 | C7 | C9 | 174.9° | 180.0° |
| C11 | C8 | C7 | C6 | 177.0° | 180.0° |
| C11 | C8 | C7 | H7 | 3.0° | 0.0° |
| C11 | C8 | C9 | C10 | 177.0° | 179.7° |
| C11 | C8 | C9 | H9 | 3.0° | 0.0° |
| C12 | C17 | C22 | C18 | 177.7° | 179.8° |
| C12 | C17 | C22 | C21 | 179.0° | 180.0° |
| C12 | C17 | C22 | H22 | 1.0° | 0.0° |
| C12 | C17 | C18 | C19 | 179.3° | 179.7° |
| C12 | C17 | C18 | H18 | 0.7° | 0.3° |
| C17 | C12 | C13 | C14 | 72.8° | 86.0° |
| C17 | C12 | C13 | H131 | 45.5° | 34.0° |
| C17 | C12 | C13 | H132 | 167.2° | 153.9° |
| C13 | C12 | C17 | C22 | 63.1° | 65.1° |
| C13 | C12 | C17 | C18 | 114.6° | 114.7° |
| C12 | C13 | C14 | H131 | 118.3° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 118.9° | 120.0° |
| C12 | C13 | C14 | C15 | 148.6° | 175.0° |
| C12 | C13 | C14 | H141 | 91.2° | 64.9° |
| C12 | C13 | C14 | H142 | 28.6° | 55.1° |
| C17 | C22 | C21 | H22 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 0.4° | 0.0° |
| C17 | C22 | C21 | H21 | 179.6° | 180.0° |
| C22 | C17 | C18 | C19 | 1.6° | 0.5° |
| C22 | C17 | C18 | H18 | 178.4° | 180.0° |
| C18 | C17 | C22 | C21 | 1.3° | 0.2° |
| C18 | C17 | C22 | H22 | 178.7° | 179.8° |
| C17 | C18 | C19 | C20 | 0.9° | 0.6° |
| C17 | C18 | C19 | H18 | 180.0° | 179.5° |
| C17 | C18 | C19 | H19 | 179.1° | 179.7° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C22 | C21 | C20 | H20 | 179.7° | 180.0° |
| H22 | C22 | C21 | C20 | 179.7° | 180.0° |
| H22 | C22 | C21 | H21 | 0.4° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C21 | C20 | C19 | H19 | 180.0° | 179.9° |
| H21 | C21 | C20 | C19 | 179.7° | 179.9° |
| H21 | C21 | C20 | H20 | 0.3° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.7° |
| C20 | C19 | C18 | H18 | 179.1° | 180.0° |
| H20 | C20 | C19 | C18 | 180.0° | 179.7° |
| H20 | C20 | C19 | H19 | 0.0° | 0.0° |
| H19 | C19 | C18 | H18 | 0.9° | 0.3° |
| C14 | C13 | H131 | H132 | 118.9° | 120.0° |
| C13 | C14 | C15 | H141 | 120.2° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 120.1° | 120.0° |
| C13 | C14 | C15 | O16 | 61.3° | 180.0° |
| C13 | C14 | C15 | H151 | 179.9° | 60.0° |
| C13 | C14 | C15 | H152 | 58.7° | 60.0° |
| H131 | C13 | C14 | C15 | 30.3° | 55.1° |
| H131 | C13 | C14 | H141 | 150.5° | 175.1° |
| H131 | C13 | C14 | H142 | 89.7° | 64.9° |
| H132 | C13 | C14 | C15 | 91.4° | 64.9° |
| H132 | C13 | C14 | H141 | 28.8° | 55.1° |
| H132 | C13 | C14 | H142 | 148.6° | 175.1° |
| C15 | C14 | H141 | H142 | 120.1° | 120.0° |
| C14 | C15 | O16 | H151 | 118.5° | 120.1° |
| C14 | C15 | O16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 119.1° | 120.1° |
| C14 | C15 | O16 | H16 | 123.6° | 180.0° |
| H141 | C14 | C15 | O16 | 58.8° | 60.0° |
| H141 | C14 | C15 | H151 | 59.7° | 180.0° |
| H141 | C14 | C15 | H152 | 178.8° | 59.9° |
| H142 | C14 | C15 | O16 | 178.7° | 60.0° |
| H142 | C14 | C15 | H151 | 60.1° | 60.0° |
| H142 | C14 | C15 | H152 | 61.4° | 180.0° |
| O16 | C15 | H151 | H152 | 119.0° | 119.9° |
| H151 | C15 | O16 | H16 | 117.9° | 59.9° |
| H152 | C15 | O16 | H16 | 3.5° | 60.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 1.0° | 0.0° |
| C8 | C7 | C6 | H6 | 179.0° | 180.0° |
| C7 | C8 | C9 | C10 | 2.1° | 0.3° |
| C7 | C8 | C9 | H9 | 178.0° | 180.0° |
| C9 | C8 | C7 | C6 | 2.1° | 0.0° |
| C9 | C8 | C7 | H7 | 177.9° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | C5 | 1.0° | 0.6° |
| C8 | C9 | C10 | H10 | 179.0° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 0.1° | 0.3° |
| C7 | C6 | C5 | O4 | 179.9° | 180.0° |
| H7 | C7 | C6 | C5 | 179.0° | 180.0° |
| H7 | C7 | C6 | H6 | 1.0° | 0.1° |
| C6 | C5 | C10 | C9 | 0.1° | 0.6° |
| C6 | C5 | C10 | O4 | 179.7° | 179.7° |
| C6 | C5 | C10 | H10 | 179.9° | 180.0° |
| C6 | C5 | O4 | C3 | 150.3° | 180.0° |
| H6 | C6 | C5 | C10 | 179.9° | 179.7° |
| H6 | C6 | C5 | O4 | 0.1° | 0.0° |
| C9 | C10 | C5 | H10 | 180.0° | 179.4° |
| C9 | C10 | C5 | O4 | 179.9° | 179.7° |
| H9 | C9 | C10 | C5 | 179.1° | 179.7° |
| H9 | C9 | C10 | H10 | 1.0° | 0.3° |
| C10 | C5 | O4 | C3 | 29.4° | 0.3° |
| H10 | C10 | C5 | O4 | 0.1° | 0.3° |
| C5 | O4 | C3 | C2 | 170.5° | 180.0° |
| C5 | O4 | C3 | H31 | 50.8° | 60.0° |
| C5 | O4 | C3 | H32 | 69.4° | 60.0° |
| O4 | C3 | C2 | H31 | 119.7° | 119.9° |
| O4 | C3 | C2 | H32 | 120.0° | 120.0° |
| O4 | C3 | H31 | H32 | 119.8° | 120.0° |
| O4 | C3 | C2 | N1 | 77.5° | 65.0° |
| O4 | C3 | C2 | H21A | 42.0° | 55.0° |
| O4 | C3 | C2 | H22A | 162.5° | 175.0° |
| C2 | C3 | H31 | H32 | 119.8° | 120.0° |
| C3 | C2 | N1 | H21A | 119.6° | 120.0° |
| C3 | C2 | N1 | H22A | 120.0° | 120.0° |
| C3 | C2 | H21A | H22A | 119.8° | 120.0° |
| C3 | C2 | N1 | C31 | 67.9° | 76.2° |
| C3 | C2 | N1 | C30 | 167.3° | 170.0° |
| H31 | C3 | C2 | N1 | 162.8° | 175.1° |
| H31 | C3 | C2 | H21A | 77.7° | 65.0° |
| H31 | C3 | C2 | H22A | 42.8° | 55.0° |
| H32 | C3 | C2 | N1 | 42.5° | 55.1° |
| H32 | C3 | C2 | H21A | 162.1° | 175.0° |
| H32 | C3 | C2 | H22A | 77.5° | 65.0° |
| N1 | C2 | H21A | H22A | 119.7° | 120.0° |
| C2 | N1 | C31 | C30 | 122.4° | 113.8° |
| C2 | N1 | C31 | H311 | 129.9° | 66.2° |
| C2 | N1 | C31 | H312 | 9.9° | 53.8° |
| C2 | N1 | C31 | H313 | 110.2° | 173.8° |
| C2 | N1 | C30 | H301 | 169.8° | 60.0° |
| C2 | N1 | C30 | H302 | 70.1° | 60.0° |
| C2 | N1 | C30 | H303 | 49.9° | 180.0° |
| H21A | C2 | N1 | C31 | 51.7° | 163.8° |
| H21A | C2 | N1 | C30 | 73.1° | 50.0° |
| H22A | C2 | N1 | C31 | 172.1° | 43.8° |
| H22A | C2 | N1 | C30 | 47.3° | 70.0° |
| N1 | C31 | H311 | H312 | 120.0° | 120.0° |
| N1 | C31 | H311 | H313 | 120.0° | 120.0° |
| N1 | C31 | H312 | H313 | 120.0° | 120.0° |
| C31 | N1 | C30 | H301 | 66.0° | 53.8° |
| C31 | N1 | C30 | H302 | 54.1° | 173.7° |
| C31 | N1 | C30 | H303 | 174.1° | 66.2° |
| C30 | N1 | C31 | H311 | 107.7° | 180.0° |
| C30 | N1 | C31 | H312 | 132.2° | 60.0° |
| C30 | N1 | C31 | H313 | 12.2° | 60.0° |
| N1 | C30 | H301 | H302 | 120.0° | 120.0° |
| N1 | C30 | H301 | H303 | 120.0° | 120.0° |
| N1 | C30 | H302 | H303 | 120.0° | 120.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
