28U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | doub | 1.31Å | 1.36Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.56Å | |
| C5 | C3 | sing | 1.53Å | 1.58Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| C3 | O16 | sing | 1.43Å | 1.45Å | |
| C12 | C13 | doub | 1.31Å | 1.36Å | |
| C2 | C1 | doub | 1.31Å | 1.36Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| O16 | H18 | sing | 0.97Å | 0.95Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 129.2° | 120.0° |
| C7 | C6 | C5 | 123.4° | 109.5° |
| C7 | C6 | H6 | 105.9° | 109.5° |
| C7 | C6 | H7 | 105.9° | 109.4° |
| C6 | C7 | H8 | 115.4° | 120.0° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C7 | C8 | C10 | 125.7° | 120.0° |
| C8 | C7 | H8 | 115.4° | 120.0° |
| C6 | C5 | C3 | 117.8° | 109.5° |
| C6 | C5 | H4 | 107.3° | 109.4° |
| C6 | C5 | H5 | 107.4° | 109.5° |
| C5 | C6 | H6 | 105.9° | 109.5° |
| C5 | C6 | H7 | 105.9° | 109.5° |
| C9 | C8 | C10 | 109.4° | 120.0° |
| C8 | C9 | C11 | 112.2° | 109.5° |
| C8 | C9 | H22 | 108.8° | 109.4° |
| C8 | C9 | H23 | 108.8° | 109.5° |
| C8 | C10 | H11 | 109.5° | 109.5° |
| C8 | C10 | H12 | 109.5° | 109.4° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| C9 | C11 | C12 | 122.0° | 109.4° |
| C11 | C9 | H22 | 108.8° | 109.5° |
| C11 | C9 | H23 | 108.8° | 109.5° |
| C9 | C11 | H24 | 106.2° | 109.4° |
| C9 | C11 | H25 | 106.3° | 109.5° |
| C5 | C3 | C4 | 108.1° | 109.5° |
| C5 | C3 | C2 | 115.7° | 109.5° |
| C5 | C3 | O16 | 109.6° | 109.5° |
| C3 | C5 | H4 | 107.4° | 109.5° |
| C3 | C5 | H5 | 107.3° | 109.5° |
| C11 | C12 | C13 | 131.2° | 120.0° |
| C12 | C11 | H24 | 106.2° | 109.5° |
| C12 | C11 | H25 | 106.2° | 109.5° |
| C11 | C12 | H26 | 114.4° | 120.0° |
| C4 | C3 | C2 | 108.2° | 109.4° |
| C4 | C3 | O16 | 104.2° | 109.5° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.4° |
| C3 | C4 | H3 | 109.4° | 109.5° |
| C2 | C3 | O16 | 110.3° | 109.5° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | C2 | H19 | 120.0° | 120.0° |
| C3 | O16 | H18 | 109.5° | 114.0° |
| C12 | C13 | C14 | 125.3° | 120.0° |
| C12 | C13 | C15 | 120.4° | 120.0° |
| C13 | C12 | H26 | 114.4° | 120.0° |
| C1 | C2 | H19 | 120.0° | 120.0° |
| C2 | C1 | H20 | 120.0° | 120.0° |
| C2 | C1 | H21 | 120.0° | 120.0° |
| C14 | C13 | C15 | 111.2° | 120.0° |
| C13 | C14 | H28 | 109.5° | 109.5° |
| C13 | C14 | H29 | 109.5° | 109.5° |
| C13 | C14 | H30 | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.4° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H1 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| H11 | C10 | H13 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H20 | C1 | H21 | 120.0° | 120.0° |
| H22 | C9 | H23 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.4° | 109.5° |
| H28 | C14 | H30 | 109.5° | 109.5° |
| H29 | C14 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C6 | C5 | H6 | 121.9° | 120.1° |
| C7 | C6 | C5 | H7 | 121.9° | 120.0° |
| C6 | C7 | C8 | C9 | 144.0° | 174.0° |
| C6 | C7 | C8 | C10 | 8.5° | 6.0° |
| C7 | C6 | C5 | C3 | 106.2° | 180.0° |
| C7 | C6 | C5 | H4 | 132.6° | 60.0° |
| C7 | C6 | C5 | H5 | 15.0° | 59.9° |
| C7 | C6 | H6 | H7 | 113.7° | 120.0° |
| C8 | C7 | C6 | C5 | 20.8° | 121.4° |
| C7 | C8 | C9 | C10 | 156.6° | 180.0° |
| C7 | C8 | C9 | C11 | 81.9° | 95.0° |
| C8 | C7 | C6 | H6 | 101.1° | 1.3° |
| C8 | C7 | C6 | H7 | 142.7° | 118.7° |
| C7 | C8 | C10 | H11 | 180.0° | 84.9° |
| C7 | C8 | C10 | H12 | 60.0° | 155.1° |
| C7 | C8 | C10 | H13 | 60.0° | 35.1° |
| C7 | C8 | C9 | H22 | 157.6° | 145.0° |
| C7 | C8 | C9 | H23 | 38.5° | 25.0° |
| C6 | C5 | C3 | H4 | 121.2° | 120.0° |
| C6 | C5 | C3 | H5 | 121.2° | 120.0° |
| C6 | C5 | C3 | C4 | 91.0° | 55.0° |
| C6 | C5 | C3 | C2 | 30.5° | 175.0° |
| C6 | C5 | C3 | O16 | 156.0° | 65.0° |
| C6 | C5 | H4 | H5 | 116.3° | 119.9° |
| C5 | C6 | H6 | H7 | 113.7° | 120.0° |
| C5 | C6 | C7 | H8 | 159.2° | 58.6° |
| C8 | C9 | C11 | H22 | 120.4° | 120.0° |
| C8 | C9 | C11 | H23 | 120.4° | 120.0° |
| C8 | C9 | C11 | C12 | 57.7° | 180.0° |
| C9 | C8 | C7 | H8 | 36.0° | 6.0° |
| C9 | C8 | C10 | H11 | 25.1° | 95.1° |
| C9 | C8 | C10 | H12 | 94.9° | 25.0° |
| C9 | C8 | C10 | H13 | 145.1° | 144.9° |
| C8 | C9 | H22 | H23 | 118.7° | 120.0° |
| C8 | C9 | C11 | H24 | 179.4° | 60.0° |
| C8 | C9 | C11 | H25 | 64.1° | 60.0° |
| C10 | C8 | C9 | C11 | 74.6° | 85.0° |
| C10 | C8 | C7 | H8 | 171.5° | 174.0° |
| C8 | C10 | H11 | H12 | 120.0° | 120.0° |
| C8 | C10 | H11 | H13 | 120.0° | 120.0° |
| C8 | C10 | H12 | H13 | 120.0° | 120.0° |
| C10 | C8 | C9 | H22 | 45.8° | 35.0° |
| C10 | C8 | C9 | H23 | 165.0° | 155.0° |
| C9 | C11 | C12 | H24 | 121.7° | 119.9° |
| C9 | C11 | C12 | H25 | 121.8° | 120.0° |
| C9 | C11 | C12 | C13 | 48.8° | 119.2° |
| C11 | C9 | H22 | H23 | 118.7° | 120.0° |
| C9 | C11 | H24 | H25 | 114.4° | 120.0° |
| C9 | C11 | C12 | H26 | 131.1° | 60.8° |
| C5 | C3 | C4 | C2 | 126.0° | 120.0° |
| C5 | C3 | C4 | O16 | 116.6° | 120.0° |
| C5 | C3 | C2 | O16 | 125.2° | 120.0° |
| C5 | C3 | C2 | C1 | 61.3° | 120.0° |
| C5 | C3 | C4 | H1 | 180.0° | 60.0° |
| C5 | C3 | C4 | H2 | 60.0° | 180.0° |
| C5 | C3 | C4 | H3 | 60.0° | 60.0° |
| C3 | C5 | H4 | H5 | 116.2° | 120.0° |
| C3 | C5 | C6 | H6 | 15.7° | 60.0° |
| C3 | C5 | C6 | H7 | 131.9° | 60.0° |
| C5 | C3 | O16 | H18 | 180.0° | 60.0° |
| C5 | C3 | C2 | H19 | 118.6° | 60.0° |
| C11 | C12 | C13 | H26 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 10.3° | 174.5° |
| C11 | C12 | C13 | C15 | 148.0° | 5.5° |
| C12 | C11 | C9 | H22 | 62.8° | 60.1° |
| C12 | C11 | C9 | H23 | 178.1° | 60.0° |
| C12 | C11 | H24 | H25 | 114.3° | 120.1° |
| C4 | C3 | C2 | O16 | 113.4° | 120.0° |
| C4 | C3 | C2 | C1 | 177.2° | 120.0° |
| C3 | C4 | H1 | H2 | 120.0° | 120.0° |
| C3 | C4 | H1 | H3 | 120.0° | 120.1° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C5 | H4 | 30.2° | 175.0° |
| C4 | C3 | C5 | H5 | 147.9° | 65.0° |
| C4 | C3 | O16 | H18 | 64.5° | 180.0° |
| C4 | C3 | C2 | H19 | 2.8° | 60.0° |
| C3 | C2 | C1 | H19 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 54.0° | 180.0° |
| C2 | C3 | C4 | H2 | 66.0° | 60.0° |
| C2 | C3 | C4 | H3 | 174.0° | 60.0° |
| C2 | C3 | C5 | H4 | 151.7° | 65.0° |
| C2 | C3 | C5 | H5 | 90.7° | 55.0° |
| C2 | C3 | O16 | H18 | 51.4° | 60.0° |
| C3 | C2 | C1 | H20 | 180.0° | 0.0° |
| C3 | C2 | C1 | H21 | 0.0° | 180.0° |
| O16 | C3 | C2 | C1 | 63.8° | 0.0° |
| O16 | C3 | C4 | H1 | 63.4° | 60.0° |
| O16 | C3 | C4 | H2 | 176.6° | 59.9° |
| O16 | C3 | C4 | H3 | 56.6° | 179.9° |
| O16 | C3 | C5 | H4 | 82.8° | 55.0° |
| O16 | C3 | C5 | H5 | 34.9° | 175.0° |
| O16 | C3 | C2 | H19 | 116.2° | 180.0° |
| C12 | C13 | C14 | C15 | 160.0° | 180.0° |
| C12 | C13 | C15 | H15 | 180.0° | 55.0° |
| C12 | C13 | C15 | H16 | 60.0° | 175.0° |
| C12 | C13 | C15 | H17 | 60.0° | 65.0° |
| C13 | C12 | C11 | H24 | 72.9° | 0.7° |
| C13 | C12 | C11 | H25 | 170.6° | 120.8° |
| C12 | C13 | C14 | H28 | 180.0° | 90.0° |
| C12 | C13 | C14 | H29 | 60.0° | 30.0° |
| C12 | C13 | C14 | H30 | 60.0° | 150.0° |
| C2 | C1 | H20 | H21 | 180.0° | 180.0° |
| C14 | C13 | C15 | H15 | 18.8° | 125.0° |
| C14 | C13 | C15 | H16 | 138.9° | 5.0° |
| C14 | C13 | C15 | H17 | 101.1° | 115.0° |
| C14 | C13 | C12 | H26 | 169.7° | 5.5° |
| C13 | C14 | H28 | H29 | 120.0° | 120.0° |
| C13 | C14 | H28 | H30 | 120.0° | 120.0° |
| C13 | C14 | H29 | H30 | 120.0° | 120.0° |
| C13 | C15 | H15 | H16 | 120.0° | 120.0° |
| C13 | C15 | H15 | H17 | 120.0° | 120.0° |
| C13 | C15 | H16 | H17 | 120.0° | 120.0° |
| C15 | C13 | C12 | H26 | 31.9° | 174.5° |
| C15 | C13 | C14 | H28 | 20.0° | 90.0° |
| C15 | C13 | C14 | H29 | 100.0° | 150.0° |
| C15 | C13 | C14 | H30 | 140.0° | 30.0° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | C6 | H6 | 105.4° | 60.1° |
| H4 | C5 | C6 | H7 | 10.7° | 179.9° |
| H5 | C5 | C6 | H6 | 136.9° | 180.0° |
| H5 | C5 | C6 | H7 | 106.9° | 60.1° |
| H6 | C6 | C7 | H8 | 78.9° | 178.7° |
| H7 | C6 | C7 | H8 | 37.3° | 61.3° |
| H11 | C10 | H12 | H13 | 120.0° | 120.0° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H19 | C2 | C1 | H20 | 0.0° | 180.0° |
| H19 | C2 | C1 | H21 | 180.0° | 0.0° |
| H22 | C9 | C11 | H24 | 58.9° | 180.0° |
| H22 | C9 | C11 | H25 | 175.5° | 60.0° |
| H23 | C9 | C11 | H24 | 60.2° | 60.0° |
| H23 | C9 | C11 | H25 | 56.3° | 180.0° |
| H24 | C11 | C12 | H26 | 107.1° | 179.2° |
| H25 | C11 | C12 | H26 | 9.4° | 59.1° |
| H28 | C14 | H29 | H30 | 120.0° | 120.0° |
