U85
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N2 | sing | 1.46Å | 1.47Å | |
| C8 | C9 | sing | 1.51Å | 1.42Å | |
| C5 | N2 | sing | 1.32Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| N2 | C7 | doub | 1.32Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.39Å | 1.34Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C1 | sing | 1.46Å | 1.48Å | |
| C11 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.41Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.41Å | |
| C21 | N3 | sing | 1.47Å | 1.49Å | |
| N3 | C26 | sing | 1.34Å | 1.42Å | Aromatic |
| N3 | C22 | sing | 1.38Å | 1.35Å | Aromatic |
| C26 | N7 | doub | 1.31Å | 1.41Å | Aromatic |
| N4 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
| N4 | C23 | sing | 1.33Å | 1.33Å | Aromatic |
| C22 | C24 | sing | 1.41Å | 1.34Å | Aromatic |
| C23 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| N7 | C25 | sing | 1.34Å | 1.35Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.35Å | Aromatic |
| C24 | N5 | sing | 1.34Å | 1.34Å | Aromatic |
| C25 | N6 | sing | 1.37Å | 1.33Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C8 | C9 | 104.9° | 109.5° |
| C8 | N2 | C5 | 121.4° | 119.0° |
| C8 | N2 | C7 | 118.3° | 119.0° |
| N2 | C8 | H12 | 110.6° | 109.5° |
| N2 | C8 | H13 | 110.6° | 109.5° |
| C8 | C9 | C10 | 120.1° | 119.9° |
| C8 | C9 | C12 | 121.3° | 119.9° |
| C9 | C8 | H12 | 110.6° | 109.5° |
| C9 | C8 | H13 | 110.6° | 109.4° |
| N2 | C5 | C4 | 118.8° | 120.8° |
| C5 | N2 | C7 | 120.2° | 122.0° |
| N2 | C5 | H8 | 120.6° | 119.6° |
| C5 | C4 | C3 | 121.0° | 119.1° |
| C5 | C4 | H7 | 119.5° | 120.4° |
| C4 | C5 | H8 | 120.6° | 119.6° |
| N2 | C7 | C6 | 119.1° | 120.8° |
| N2 | C7 | H10 | 120.4° | 119.5° |
| C4 | C3 | C6 | 119.3° | 118.3° |
| C4 | C3 | N1 | 121.8° | 120.9° |
| C3 | C4 | H7 | 119.5° | 120.5° |
| C10 | C9 | C12 | 118.6° | 120.2° |
| C9 | C10 | C11 | 120.1° | 120.2° |
| C9 | C10 | H14 | 119.9° | 119.9° |
| C9 | C12 | C13 | 121.1° | 120.1° |
| C9 | C12 | H16 | 119.5° | 120.0° |
| C7 | C6 | C3 | 121.5° | 119.1° |
| C7 | C6 | H9 | 119.2° | 120.5° |
| C6 | C7 | H10 | 120.5° | 119.6° |
| C6 | C3 | N1 | 118.9° | 120.9° |
| C3 | C6 | H9 | 119.3° | 120.4° |
| C3 | N1 | C2 | 120.0° | 120.0° |
| C3 | N1 | C1 | 119.1° | 120.0° |
| C10 | C11 | C14 | 122.3° | 119.8° |
| C11 | C10 | H14 | 120.0° | 119.9° |
| C10 | C11 | H15 | 118.8° | 120.1° |
| C12 | C13 | C14 | 120.6° | 119.9° |
| C13 | C12 | H16 | 119.5° | 119.9° |
| C12 | C13 | H17 | 119.7° | 120.0° |
| C2 | N1 | C1 | 120.7° | 120.0° |
| N1 | C2 | H4 | 109.5° | 109.5° |
| N1 | C2 | H5 | 109.5° | 109.4° |
| N1 | C2 | H6 | 109.4° | 109.5° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.4° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C11 | C14 | C13 | 117.3° | 119.8° |
| C11 | C14 | C15 | 119.7° | 120.1° |
| C14 | C11 | H15 | 118.8° | 120.1° |
| C13 | C14 | C15 | 123.0° | 120.1° |
| C14 | C13 | H17 | 119.7° | 120.1° |
| C14 | C15 | C16 | 119.1° | 120.1° |
| C14 | C15 | C18 | 123.0° | 120.1° |
| C16 | C15 | C18 | 117.9° | 119.8° |
| C15 | C16 | C17 | 121.9° | 119.9° |
| C15 | C16 | H18 | 119.1° | 120.1° |
| C15 | C18 | C19 | 120.1° | 119.8° |
| C15 | C18 | H20 | 119.9° | 120.1° |
| C16 | C17 | C20 | 120.0° | 120.1° |
| C17 | C16 | H18 | 119.0° | 120.0° |
| C16 | C17 | H19 | 120.0° | 119.9° |
| C18 | C19 | C20 | 121.4° | 120.2° |
| C19 | C18 | H20 | 120.0° | 120.1° |
| C18 | C19 | H21 | 119.3° | 119.9° |
| C17 | C20 | C19 | 118.7° | 120.3° |
| C17 | C20 | C21 | 119.5° | 119.9° |
| C20 | C17 | H19 | 120.0° | 120.0° |
| C19 | C20 | C21 | 121.8° | 119.8° |
| C20 | C19 | H21 | 119.3° | 120.0° |
| C20 | C21 | N3 | 112.3° | 109.5° |
| C20 | C21 | H22 | 108.7° | 109.5° |
| C20 | C21 | H23 | 108.8° | 109.4° |
| C21 | N3 | C26 | 120.3° | 120.1° |
| C21 | N3 | C22 | 120.2° | 120.1° |
| N3 | C21 | H22 | 108.8° | 109.5° |
| N3 | C21 | H23 | 108.7° | 109.4° |
| C26 | N3 | C22 | 119.5° | 119.8° |
| N3 | C26 | N7 | 118.6° | 122.4° |
| N3 | C26 | H27 | 120.7° | 118.8° |
| N3 | C22 | N4 | 131.7° | 135.2° |
| N3 | C22 | C24 | 120.5° | 118.3° |
| C26 | N7 | C25 | 118.2° | 122.0° |
| N7 | C26 | H27 | 120.7° | 118.8° |
| C22 | N4 | C23 | 108.4° | 108.8° |
| N4 | C22 | C24 | 107.8° | 106.5° |
| N4 | C23 | N5 | 107.8° | 110.2° |
| N4 | C23 | H24 | 126.1° | 125.0° |
| C22 | C24 | C25 | 120.9° | 118.4° |
| C22 | C24 | N5 | 107.2° | 106.4° |
| C23 | N5 | C24 | 108.7° | 108.2° |
| N5 | C23 | H24 | 126.1° | 124.9° |
| N7 | C25 | C24 | 122.3° | 119.1° |
| N7 | C25 | N6 | 121.1° | 120.4° |
| C25 | C24 | N5 | 131.9° | 135.2° |
| C24 | C25 | N6 | 116.6° | 120.5° |
| C25 | N6 | H25 | 109.5° | 120.0° |
| C25 | N6 | H26 | 109.5° | 120.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H6 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.4° |
| H25 | N6 | H26 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C8 | C9 | H12 | 119.3° | 120.1° |
| N2 | C8 | C9 | H13 | 119.3° | 120.0° |
| C8 | N2 | C5 | C7 | 175.0° | 179.7° |
| C8 | N2 | C5 | C4 | 177.0° | 180.0° |
| N2 | C8 | C9 | C10 | 75.4° | 90.0° |
| N2 | C8 | C9 | C12 | 102.4° | 90.2° |
| C8 | N2 | C7 | C6 | 177.4° | 179.8° |
| C8 | N2 | C5 | H8 | 3.0° | 0.0° |
| C8 | N2 | C7 | H10 | 2.6° | 0.3° |
| N2 | C8 | H12 | H13 | 122.1° | 120.0° |
| C9 | C8 | N2 | C5 | 104.3° | 90.0° |
| C9 | C8 | N2 | C7 | 70.8° | 90.3° |
| C8 | C9 | C10 | C12 | 177.9° | 179.7° |
| C8 | C9 | C10 | C11 | 178.3° | 179.9° |
| C8 | C9 | C12 | C13 | 179.2° | 179.9° |
| C9 | C8 | H12 | H13 | 122.1° | 120.0° |
| C8 | C9 | C10 | H14 | 1.7° | 0.0° |
| C8 | C9 | C12 | H16 | 0.8° | 0.1° |
| N2 | C5 | C4 | H8 | 180.0° | 179.9° |
| N2 | C5 | C4 | C3 | 1.0° | 0.0° |
| C5 | N2 | C7 | C6 | 2.2° | 0.5° |
| N2 | C5 | C4 | H7 | 179.1° | 179.9° |
| C5 | N2 | C7 | H10 | 177.8° | 179.9° |
| C5 | N2 | C8 | H12 | 15.0° | 150.0° |
| C5 | N2 | C8 | H13 | 136.4° | 30.0° |
| C4 | C5 | N2 | C7 | 2.0° | 0.2° |
| C5 | C4 | C3 | H7 | 180.0° | 179.9° |
| C5 | C4 | C3 | C6 | 0.0° | 0.0° |
| C5 | C4 | C3 | N1 | 179.5° | 179.7° |
| N2 | C7 | C6 | H10 | 180.0° | 179.4° |
| N2 | C7 | C6 | C3 | 1.3° | 0.5° |
| C7 | N2 | C5 | H8 | 178.0° | 179.7° |
| N2 | C7 | C6 | H9 | 178.7° | 179.5° |
| C7 | N2 | C8 | H12 | 169.9° | 29.7° |
| C7 | N2 | C8 | H13 | 48.5° | 149.7° |
| C4 | C3 | C6 | C7 | 0.2° | 0.3° |
| C4 | C3 | C6 | N1 | 179.6° | 179.7° |
| C4 | C3 | N1 | C2 | 1.5° | 0.3° |
| C4 | C3 | N1 | C1 | 176.4° | 179.7° |
| C3 | C4 | C5 | H8 | 179.1° | 179.9° |
| C4 | C3 | C6 | H9 | 179.8° | 179.7° |
| C9 | C10 | C11 | H14 | 180.0° | 180.0° |
| C10 | C9 | C12 | C13 | 1.3° | 0.2° |
| C9 | C10 | C11 | C14 | 1.0° | 0.1° |
| C10 | C9 | C8 | H12 | 43.9° | 30.0° |
| C10 | C9 | C8 | H13 | 165.3° | 150.0° |
| C9 | C10 | C11 | H15 | 179.0° | 179.9° |
| C10 | C9 | C12 | H16 | 178.7° | 179.7° |
| C12 | C9 | C10 | C11 | 0.4° | 0.2° |
| C9 | C12 | C13 | H16 | 180.0° | 179.9° |
| C9 | C12 | C13 | C14 | 0.9° | 0.1° |
| C12 | C9 | C8 | H12 | 138.3° | 149.7° |
| C12 | C9 | C8 | H13 | 16.8° | 29.7° |
| C12 | C9 | C10 | H14 | 179.6° | 179.8° |
| C9 | C12 | C13 | H17 | 179.1° | 179.9° |
| C7 | C6 | C3 | H9 | 180.0° | 180.0° |
| C7 | C6 | C3 | N1 | 179.4° | 180.0° |
| C6 | C3 | N1 | C2 | 178.1° | 180.0° |
| C6 | C3 | N1 | C1 | 3.1° | 0.0° |
| C6 | C3 | C4 | H7 | 180.0° | 179.9° |
| C3 | C6 | C7 | H10 | 178.7° | 179.9° |
| C3 | N1 | C2 | C1 | 174.9° | 180.0° |
| C3 | N1 | C1 | H1 | 180.0° | 90.0° |
| C3 | N1 | C1 | H2 | 60.0° | 30.0° |
| C3 | N1 | C1 | H3 | 60.0° | 150.0° |
| C3 | N1 | C2 | H4 | 180.0° | 180.0° |
| C3 | N1 | C2 | H5 | 60.0° | 60.0° |
| C3 | N1 | C2 | H6 | 60.0° | 60.0° |
| N1 | C3 | C4 | H7 | 0.5° | 0.3° |
| N1 | C3 | C6 | H9 | 0.6° | 0.0° |
| C10 | C11 | C14 | H15 | 180.0° | 179.9° |
| C10 | C11 | C14 | C13 | 1.4° | 0.3° |
| C10 | C11 | C14 | C15 | 179.7° | 180.0° |
| C12 | C13 | C14 | C11 | 0.5° | 0.4° |
| C12 | C13 | C14 | H17 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.3° | 180.0° |
| C2 | N1 | C1 | H1 | 5.1° | 90.0° |
| C2 | N1 | C1 | H2 | 114.9° | 150.0° |
| C2 | N1 | C1 | H3 | 125.1° | 29.9° |
| N1 | C2 | H4 | H5 | 120.0° | 120.0° |
| N1 | C2 | H4 | H6 | 120.0° | 120.0° |
| N1 | C2 | H5 | H6 | 120.0° | 120.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | N1 | C2 | H4 | 5.1° | 0.0° |
| C1 | N1 | C2 | H5 | 125.1° | 120.0° |
| C1 | N1 | C2 | H6 | 114.9° | 120.0° |
| C11 | C14 | C13 | C15 | 178.8° | 179.7° |
| C11 | C14 | C15 | C16 | 9.5° | 180.0° |
| C11 | C14 | C15 | C18 | 170.9° | 0.3° |
| C14 | C11 | C10 | H14 | 179.0° | 180.0° |
| C11 | C14 | C13 | H17 | 179.5° | 179.8° |
| C13 | C14 | C15 | C16 | 169.3° | 0.3° |
| C13 | C14 | C15 | C18 | 10.3° | 180.0° |
| C13 | C14 | C11 | H15 | 178.6° | 179.8° |
| C14 | C13 | C12 | H16 | 179.1° | 180.0° |
| C14 | C15 | C16 | C18 | 179.5° | 179.8° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C18 | C19 | 179.9° | 180.0° |
| C15 | C14 | C11 | H15 | 0.3° | 0.1° |
| C15 | C14 | C13 | H17 | 0.7° | 0.1° |
| C14 | C15 | C16 | H18 | 0.1° | 0.0° |
| C14 | C15 | C18 | H20 | 0.1° | 0.1° |
| C15 | C16 | C17 | H18 | 180.0° | 180.0° |
| C16 | C15 | C18 | C19 | 0.4° | 0.2° |
| C15 | C16 | C17 | C20 | 0.4° | 0.0° |
| C15 | C16 | C17 | H19 | 179.6° | 179.9° |
| C16 | C15 | C18 | H20 | 179.6° | 179.7° |
| C18 | C15 | C16 | C17 | 0.5° | 0.2° |
| C15 | C18 | C19 | H20 | 180.0° | 179.9° |
| C15 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C15 | C16 | H18 | 179.5° | 179.8° |
| C15 | C18 | C19 | H21 | 179.9° | 179.9° |
| C16 | C17 | C20 | H19 | 180.0° | 179.9° |
| C16 | C17 | C20 | C19 | 0.1° | 0.3° |
| C16 | C17 | C20 | C21 | 179.5° | 180.0° |
| C18 | C19 | C20 | C17 | 0.0° | 0.3° |
| C18 | C19 | C20 | H21 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 179.3° | 180.0° |
| C17 | C20 | C19 | C21 | 179.4° | 179.8° |
| C17 | C20 | C21 | N3 | 87.9° | 90.0° |
| C20 | C17 | C16 | H18 | 179.6° | 180.0° |
| C17 | C20 | C19 | H21 | 180.0° | 179.7° |
| C17 | C20 | C21 | H22 | 32.5° | 150.0° |
| C17 | C20 | C21 | H23 | 151.7° | 30.0° |
| C19 | C20 | C21 | N3 | 92.8° | 89.8° |
| C19 | C20 | C17 | H19 | 179.9° | 179.8° |
| C20 | C19 | C18 | H20 | 179.9° | 179.9° |
| C19 | C20 | C21 | H22 | 146.8° | 30.3° |
| C19 | C20 | C21 | H23 | 27.6° | 150.2° |
| C20 | C21 | N3 | H22 | 120.4° | 120.1° |
| C20 | C21 | N3 | H23 | 120.4° | 120.0° |
| C20 | C21 | N3 | C26 | 80.1° | 90.1° |
| C20 | C21 | N3 | C22 | 99.9° | 89.7° |
| C21 | C20 | C17 | H19 | 0.5° | 0.1° |
| C21 | C20 | C19 | H21 | 0.7° | 0.1° |
| C20 | C21 | H22 | H23 | 118.7° | 120.0° |
| C21 | N3 | C26 | C22 | 180.0° | 179.7° |
| C21 | N3 | C26 | N7 | 179.7° | 179.6° |
| C21 | N3 | C22 | N4 | 0.6° | 0.0° |
| C21 | N3 | C22 | C24 | 179.7° | 180.0° |
| N3 | C21 | H22 | H23 | 118.7° | 120.0° |
| C21 | N3 | C26 | H27 | 0.3° | 0.1° |
| N3 | C26 | N7 | H27 | 180.0° | 179.6° |
| C26 | N3 | C22 | N4 | 179.4° | 179.7° |
| C26 | N3 | C22 | C24 | 0.3° | 0.3° |
| N3 | C26 | N7 | C25 | 0.3° | 0.8° |
| C26 | N3 | C21 | H22 | 40.3° | 30.0° |
| C26 | N3 | C21 | H23 | 159.5° | 150.0° |
| C22 | N3 | C26 | N7 | 0.3° | 0.7° |
| N3 | C22 | N4 | C24 | 179.7° | 180.0° |
| N3 | C22 | N4 | C23 | 179.7° | 180.0° |
| N3 | C22 | C24 | C25 | 0.2° | 0.0° |
| N3 | C22 | C24 | N5 | 179.9° | 180.0° |
| C22 | N3 | C21 | H22 | 139.7° | 150.2° |
| C22 | N3 | C21 | H23 | 20.6° | 30.3° |
| C22 | N3 | C26 | H27 | 179.7° | 179.7° |
| C26 | N7 | C25 | C24 | 0.2° | 0.4° |
| C26 | N7 | C25 | N6 | 179.9° | 179.6° |
| C22 | N4 | C23 | N5 | 0.1° | 0.0° |
| N4 | C22 | C24 | C25 | 179.6° | 180.0° |
| N4 | C22 | C24 | N5 | 0.2° | 0.0° |
| C22 | N4 | C23 | H24 | 179.9° | 180.0° |
| C23 | N4 | C22 | C24 | 0.0° | 0.0° |
| N4 | C23 | N5 | H24 | 180.0° | 180.0° |
| N4 | C23 | N5 | C24 | 0.2° | 0.0° |
| C22 | C24 | N5 | C23 | 0.2° | 0.0° |
| C22 | C24 | C25 | N7 | 0.2° | 0.1° |
| C22 | C24 | C25 | N5 | 179.6° | 180.0° |
| C22 | C24 | C25 | N6 | 179.9° | 180.0° |
| C23 | N5 | C24 | C25 | 179.4° | 180.0° |
| N7 | C25 | C24 | N6 | 179.9° | 180.0° |
| N7 | C25 | C24 | N5 | 179.8° | 179.9° |
| N7 | C25 | N6 | H25 | 0.0° | 180.0° |
| N7 | C25 | N6 | H26 | 120.0° | 0.0° |
| C25 | N7 | C26 | H27 | 179.7° | 179.6° |
| C24 | C25 | N6 | H25 | 179.9° | 0.1° |
| C24 | C25 | N6 | H26 | 60.1° | 180.0° |
| N5 | C24 | C25 | N6 | 0.3° | 0.0° |
| C24 | N5 | C23 | H24 | 179.8° | 180.0° |
| C25 | N6 | H25 | H26 | 120.0° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C2 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | C5 | H8 | 0.9° | 0.0° |
| H9 | C6 | C7 | H10 | 1.3° | 0.0° |
| H14 | C10 | C11 | H15 | 1.0° | 0.1° |
| H16 | C12 | C13 | H17 | 0.9° | 0.2° |
| H18 | C16 | C17 | H19 | 0.4° | 0.1° |
| H20 | C18 | C19 | H21 | 0.1° | 0.0° |
