UB3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.51Å | 1.54Å | |
| C4 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| O6 | C5 | sing | 1.45Å | 1.44Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | O6 | sing | 1.35Å | 1.34Å | |
| N8 | C7 | sing | 1.35Å | 1.35Å | |
| O29 | C7 | doub | 1.22Å | 1.22Å | |
| C9 | N8 | sing | 1.47Å | 1.46Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| P10 | C9 | sing | 1.82Å | 1.83Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N13 | P10 | sing | 1.68Å | 1.63Å | |
| P10 | O12 | doub | 1.48Å | 1.49Å | |
| P10 | O11 | sing | 1.61Å | 1.49Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C14 | N13 | sing | 1.47Å | 1.48Å | |
| N13 | HN13 | sing | 1.01Å | 1.00Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | C18 | sing | 1.51Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C17 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| O28 | C18 | doub | 1.21Å | 1.22Å | |
| C18 | N19 | sing | 1.35Å | 1.36Å | |
| N19 | C20 | sing | 1.46Å | 1.45Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C24 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | O22 | doub | 1.21Å | 1.27Å | |
| C21 | O23 | sing | 1.34Å | 1.26Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C27 | C25 | sing | 1.53Å | 1.56Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C31 | 120.1° | 119.9° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.1° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C31 | C1 | H1 | 119.9° | 120.0° |
| C1 | C31 | C30 | 119.9° | 120.0° |
| C1 | C31 | H31 | 120.0° | 120.0° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | C5 | 119.1° | 120.0° |
| C3 | C4 | C30 | 119.7° | 120.0° |
| C5 | C4 | C30 | 121.1° | 120.0° |
| C4 | C5 | O6 | 108.0° | 109.5° |
| C4 | C5 | H5 | 110.0° | 109.5° |
| C4 | C5 | H5A | 110.0° | 109.5° |
| C4 | C30 | C31 | 120.0° | 120.0° |
| C4 | C30 | H30 | 120.0° | 120.0° |
| O6 | C5 | H5 | 109.9° | 109.4° |
| O6 | C5 | H5A | 109.9° | 109.4° |
| C5 | O6 | C7 | 114.8° | 117.0° |
| H5 | C5 | H5A | 109.0° | 109.5° |
| O6 | C7 | N8 | 113.1° | 120.0° |
| O6 | C7 | O29 | 123.3° | 120.0° |
| N8 | C7 | O29 | 123.6° | 120.0° |
| C7 | N8 | C9 | 119.0° | 120.0° |
| C7 | N8 | HN8 | 120.5° | 120.0° |
| C9 | N8 | HN8 | 120.5° | 119.9° |
| N8 | C9 | P10 | 111.6° | 109.5° |
| N8 | C9 | H9 | 108.8° | 109.5° |
| N8 | C9 | H9A | 108.8° | 109.4° |
| P10 | C9 | H9 | 108.8° | 109.5° |
| P10 | C9 | H9A | 108.8° | 109.5° |
| C9 | P10 | N13 | 108.8° | 109.5° |
| C9 | P10 | O12 | 107.5° | 109.5° |
| C9 | P10 | O11 | 108.1° | 109.5° |
| H9 | C9 | H9A | 110.1° | 109.4° |
| N13 | P10 | O12 | 109.4° | 109.5° |
| N13 | P10 | O11 | 114.0° | 109.5° |
| P10 | N13 | C14 | 118.0° | 111.0° |
| P10 | N13 | HN13 | 106.8° | 111.0° |
| O12 | P10 | O11 | 108.9° | 109.4° |
| P10 | O11 | HO11 | 109.5° | 114.0° |
| C14 | N13 | HN13 | 106.7° | 111.1° |
| N13 | C14 | C15 | 111.7° | 109.4° |
| N13 | C14 | C18 | 107.6° | 109.5° |
| N13 | C14 | H14 | 109.1° | 109.5° |
| C15 | C14 | C18 | 108.8° | 109.5° |
| C15 | C14 | H14 | 107.8° | 109.5° |
| C14 | C15 | C16 | 111.7° | 109.5° |
| C14 | C15 | C17 | 114.2° | 109.5° |
| C14 | C15 | H15 | 104.6° | 109.5° |
| C18 | C14 | H14 | 112.0° | 109.5° |
| C14 | C18 | O28 | 117.5° | 120.0° |
| C14 | C18 | N19 | 121.0° | 120.0° |
| C16 | C15 | C17 | 109.6° | 109.5° |
| C16 | C15 | H15 | 109.6° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H16A | 109.4° | 109.5° |
| C15 | C16 | H16B | 109.5° | 109.4° |
| C17 | C15 | H15 | 106.8° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C15 | C17 | H17A | 109.5° | 109.5° |
| C15 | C17 | H17B | 109.4° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.4° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| O28 | C18 | N19 | 121.5° | 120.0° |
| C18 | N19 | C20 | 122.4° | 120.0° |
| C18 | N19 | HN19 | 118.8° | 120.0° |
| C20 | N19 | HN19 | 118.8° | 120.0° |
| N19 | C20 | C24 | 118.3° | 109.5° |
| N19 | C20 | C21 | 112.4° | 109.5° |
| N19 | C20 | H20 | 102.9° | 109.5° |
| C24 | C20 | C21 | 115.6° | 109.5° |
| C24 | C20 | H20 | 98.3° | 109.4° |
| C20 | C24 | C25 | 125.0° | 109.5° |
| C20 | C24 | H24 | 104.6° | 109.4° |
| C20 | C24 | H24A | 104.6° | 109.5° |
| C21 | C20 | H20 | 106.6° | 109.4° |
| C20 | C21 | O22 | 120.3° | 120.0° |
| C20 | C21 | O23 | 115.4° | 120.0° |
| O22 | C21 | O23 | 124.3° | 120.0° |
| C21 | O23 | HO23 | 109.5° | 117.0° |
| C31 | C30 | H30 | 120.0° | 120.1° |
| C30 | C31 | H31 | 120.1° | 120.0° |
| C25 | C24 | H24 | 104.6° | 109.5° |
| C25 | C24 | H24A | 104.6° | 109.5° |
| C24 | C25 | C27 | 110.3° | 109.5° |
| C24 | C25 | C26 | 116.0° | 109.5° |
| C24 | C25 | H25 | 104.0° | 109.4° |
| H24 | C24 | H24A | 113.9° | 109.4° |
| C27 | C25 | C26 | 108.8° | 109.5° |
| C27 | C25 | H25 | 111.9° | 109.5° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.5° |
| C25 | C27 | H27B | 109.5° | 109.5° |
| C26 | C25 | H25 | 105.7° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.5° |
| C25 | C26 | H26B | 109.4° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.5° |
| H26 | C26 | H26B | 109.4° | 109.4° |
| H26A | C26 | H26B | 109.5° | 109.4° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C31 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.0° | 0.1° |
| C1 | C2 | C3 | H3 | 179.0° | 179.9° |
| C2 | C1 | C31 | C30 | 0.2° | 0.0° |
| C2 | C1 | C31 | H31 | 179.7° | 179.7° |
| C31 | C1 | C2 | C3 | 0.1° | 0.1° |
| C31 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C31 | C30 | C4 | 1.8° | 0.1° |
| C1 | C31 | C30 | H31 | 180.0° | 179.7° |
| C1 | C31 | C30 | H30 | 178.3° | 179.9° |
| H1 | C1 | C2 | C3 | 179.9° | 179.8° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H1 | C1 | C31 | C30 | 179.7° | 179.7° |
| H1 | C1 | C31 | H31 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 178.9° | 180.0° |
| C2 | C3 | C4 | C30 | 2.6° | 0.0° |
| H2 | C2 | C3 | C4 | 179.0° | 180.0° |
| H2 | C2 | C3 | H3 | 1.0° | 0.0° |
| C3 | C4 | C5 | C30 | 176.3° | 180.0° |
| C3 | C4 | C5 | O6 | 89.9° | 90.0° |
| C3 | C4 | C5 | H5 | 30.1° | 150.0° |
| C3 | C4 | C5 | H5A | 150.2° | 29.9° |
| C3 | C4 | C30 | C31 | 2.9° | 0.1° |
| C3 | C4 | C30 | H30 | 177.1° | 180.0° |
| H3 | C3 | C4 | C5 | 1.1° | 0.0° |
| H3 | C3 | C4 | C30 | 177.4° | 180.0° |
| C4 | C5 | O6 | H5 | 120.0° | 120.0° |
| C4 | C5 | O6 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5A | 120.6° | 120.1° |
| C4 | C5 | O6 | C7 | 122.4° | 180.0° |
| C5 | C4 | C30 | C31 | 179.2° | 179.9° |
| C5 | C4 | C30 | H30 | 0.9° | 0.0° |
| C30 | C4 | C5 | O6 | 93.9° | 90.0° |
| C30 | C4 | C5 | H5 | 146.1° | 30.0° |
| C30 | C4 | C5 | H5A | 26.1° | 150.1° |
| C4 | C30 | C31 | H30 | 180.0° | 180.0° |
| C4 | C30 | C31 | H31 | 178.2° | 179.8° |
| O6 | C5 | H5 | H5A | 120.6° | 120.0° |
| C5 | O6 | C7 | N8 | 177.4° | 180.0° |
| C5 | O6 | C7 | O29 | 2.0° | 0.1° |
| H5 | C5 | O6 | C7 | 2.4° | 60.0° |
| H5A | C5 | O6 | C7 | 117.6° | 60.0° |
| O6 | C7 | N8 | O29 | 179.4° | 179.9° |
| O6 | C7 | N8 | C9 | 177.8° | 180.0° |
| O6 | C7 | N8 | HN8 | 2.2° | 0.0° |
| C7 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C7 | N8 | C9 | P10 | 176.7° | 95.0° |
| C7 | N8 | C9 | H9 | 56.7° | 145.0° |
| C7 | N8 | C9 | H9A | 63.3° | 25.0° |
| O29 | C7 | N8 | C9 | 1.6° | 0.0° |
| O29 | C7 | N8 | HN8 | 178.4° | 179.9° |
| N8 | C9 | P10 | H9 | 120.0° | 120.0° |
| N8 | C9 | P10 | H9A | 120.0° | 120.0° |
| N8 | C9 | H9 | H9A | 119.1° | 119.9° |
| N8 | C9 | P10 | N13 | 175.4° | 180.0° |
| N8 | C9 | P10 | O12 | 57.1° | 60.0° |
| N8 | C9 | P10 | O11 | 60.3° | 60.0° |
| HN8 | N8 | C9 | P10 | 3.3° | 85.0° |
| HN8 | N8 | C9 | H9 | 123.4° | 35.1° |
| HN8 | N8 | C9 | H9A | 116.7° | 155.0° |
| P10 | C9 | H9 | H9A | 119.1° | 120.0° |
| C9 | P10 | N13 | O12 | 117.1° | 120.0° |
| C9 | P10 | N13 | O11 | 120.7° | 120.0° |
| C9 | P10 | O12 | O11 | 116.9° | 120.0° |
| C9 | P10 | O11 | HO11 | 116.5° | 60.0° |
| C9 | P10 | N13 | C14 | 139.6° | 175.7° |
| C9 | P10 | N13 | HN13 | 100.4° | 60.3° |
| H9 | C9 | P10 | N13 | 55.4° | 60.0° |
| H9 | C9 | P10 | O12 | 62.9° | 60.1° |
| H9 | C9 | P10 | O11 | 179.7° | 180.0° |
| H9A | C9 | P10 | N13 | 64.6° | 60.0° |
| H9A | C9 | P10 | O12 | 177.1° | 180.0° |
| H9A | C9 | P10 | O11 | 59.7° | 60.0° |
| N13 | P10 | O12 | O11 | 125.2° | 120.0° |
| N13 | P10 | O11 | HO11 | 122.4° | 60.0° |
| P10 | N13 | C14 | HN13 | 120.0° | 124.0° |
| P10 | N13 | C14 | C15 | 147.9° | 94.4° |
| P10 | N13 | C14 | C18 | 92.7° | 145.6° |
| P10 | N13 | C14 | H14 | 28.9° | 25.6° |
| O12 | P10 | O11 | HO11 | 0.0° | 180.0° |
| O12 | P10 | N13 | C14 | 103.2° | 64.3° |
| O12 | P10 | N13 | HN13 | 16.7° | 59.7° |
| O11 | P10 | N13 | C14 | 18.9° | 55.7° |
| O11 | P10 | N13 | HN13 | 138.9° | 179.7° |
| N13 | C14 | C15 | C18 | 118.6° | 120.0° |
| N13 | C14 | C15 | H14 | 119.8° | 120.0° |
| N13 | C14 | C18 | H14 | 119.8° | 120.0° |
| N13 | C14 | C15 | C16 | 73.8° | 65.8° |
| N13 | C14 | C15 | C17 | 161.1° | 174.2° |
| N13 | C14 | C15 | H15 | 44.7° | 54.2° |
| N13 | C14 | C18 | O28 | 161.7° | 15.7° |
| N13 | C14 | C18 | N19 | 18.6° | 164.3° |
| HN13 | N13 | C14 | C15 | 27.9° | 29.6° |
| HN13 | N13 | C14 | C18 | 147.3° | 90.4° |
| HN13 | N13 | C14 | H14 | 91.1° | 149.5° |
| C15 | C14 | C18 | H14 | 119.0° | 120.0° |
| C14 | C15 | C16 | C17 | 127.6° | 120.0° |
| C14 | C15 | C16 | H15 | 115.5° | 120.0° |
| C14 | C15 | C17 | H15 | 115.1° | 120.0° |
| C14 | C15 | C16 | H16 | 180.0° | 62.9° |
| C14 | C15 | C16 | H16A | 60.0° | 177.0° |
| C14 | C15 | C16 | H16B | 60.0° | 57.0° |
| C14 | C15 | C17 | H17 | 180.0° | 66.7° |
| C14 | C15 | C17 | H17A | 60.0° | 173.3° |
| C14 | C15 | C17 | H17B | 60.0° | 53.3° |
| C15 | C14 | C18 | O28 | 77.1° | 104.2° |
| C15 | C14 | C18 | N19 | 102.6° | 75.8° |
| C18 | C14 | C15 | C16 | 44.8° | 54.2° |
| C18 | C14 | C15 | C17 | 80.3° | 65.8° |
| C18 | C14 | C15 | H15 | 163.3° | 174.2° |
| C14 | C18 | O28 | N19 | 179.7° | 180.0° |
| C14 | C18 | N19 | C20 | 168.0° | 175.0° |
| C14 | C18 | N19 | HN19 | 12.0° | 5.0° |
| H14 | C14 | C15 | C16 | 166.4° | 174.2° |
| H14 | C14 | C15 | C17 | 41.3° | 54.3° |
| H14 | C14 | C15 | H15 | 75.1° | 65.8° |
| H14 | C14 | C18 | O28 | 42.0° | 135.8° |
| H14 | C14 | C18 | N19 | 138.4° | 44.2° |
| C16 | C15 | C17 | H15 | 118.7° | 120.0° |
| C15 | C16 | H16 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16B | 120.0° | 119.9° |
| C15 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C15 | C17 | H17 | 53.8° | 173.3° |
| C16 | C15 | C17 | H17A | 66.2° | 53.3° |
| C16 | C15 | C17 | H17B | 173.8° | 66.7° |
| C17 | C15 | C16 | H16 | 52.4° | 57.0° |
| C17 | C15 | C16 | H16A | 172.4° | 63.0° |
| C17 | C15 | C16 | H16B | 67.6° | 177.0° |
| C15 | C17 | H17 | H17A | 120.0° | 120.1° |
| C15 | C17 | H17 | H17B | 120.0° | 120.0° |
| C15 | C17 | H17A | H17B | 120.0° | 120.1° |
| H15 | C15 | C16 | H16 | 64.6° | 177.0° |
| H15 | C15 | C16 | H16A | 55.5° | 57.0° |
| H15 | C15 | C16 | H16B | 175.5° | 63.0° |
| H15 | C15 | C17 | H17 | 64.9° | 53.3° |
| H15 | C15 | C17 | H17A | 175.1° | 66.7° |
| H15 | C15 | C17 | H17B | 55.2° | 173.3° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| H17 | C17 | H17A | H17B | 120.0° | 119.9° |
| O28 | C18 | N19 | C20 | 12.3° | 5.0° |
| O28 | C18 | N19 | HN19 | 167.7° | 175.0° |
| C18 | N19 | C20 | HN19 | 180.0° | 180.0° |
| C18 | N19 | C20 | C24 | 88.1° | 155.0° |
| C18 | N19 | C20 | C21 | 133.0° | 85.0° |
| C18 | N19 | C20 | H20 | 18.7° | 35.0° |
| N19 | C20 | C24 | C21 | 137.6° | 120.0° |
| N19 | C20 | C24 | H20 | 109.5° | 120.0° |
| N19 | C20 | C21 | H20 | 112.0° | 120.0° |
| N19 | C20 | C21 | O22 | 10.8° | 0.0° |
| N19 | C20 | C21 | O23 | 169.9° | 180.0° |
| N19 | C20 | C24 | C25 | 20.0° | 65.0° |
| N19 | C20 | C24 | H24 | 140.0° | 55.0° |
| N19 | C20 | C24 | H24A | 99.9° | 175.0° |
| HN19 | N19 | C20 | C24 | 91.8° | 25.0° |
| HN19 | N19 | C20 | C21 | 47.0° | 95.0° |
| HN19 | N19 | C20 | H20 | 161.3° | 145.0° |
| C24 | C20 | C21 | H20 | 108.0° | 119.9° |
| C24 | C20 | C21 | O22 | 129.2° | 120.0° |
| C24 | C20 | C21 | O23 | 50.1° | 60.0° |
| C20 | C24 | C25 | H24 | 120.0° | 120.0° |
| C20 | C24 | C25 | H24A | 120.0° | 120.0° |
| C20 | C24 | H24 | H24A | 113.6° | 119.9° |
| C20 | C24 | C25 | C27 | 151.3° | 65.0° |
| C20 | C24 | C25 | C26 | 26.9° | 175.0° |
| C20 | C24 | C25 | H25 | 88.6° | 55.0° |
| C20 | C21 | O22 | O23 | 179.2° | 180.0° |
| C20 | C21 | O23 | HO23 | 179.3° | 180.0° |
| C21 | C20 | C24 | C25 | 117.6° | 174.9° |
| C21 | C20 | C24 | H24 | 2.5° | 65.0° |
| C21 | C20 | C24 | H24A | 122.5° | 54.9° |
| H20 | C20 | C21 | O22 | 122.8° | 120.0° |
| H20 | C20 | C21 | O23 | 58.0° | 60.0° |
| H20 | C20 | C24 | C25 | 129.5° | 55.0° |
| H20 | C20 | C24 | H24 | 110.5° | 175.1° |
| H20 | C20 | C24 | H24A | 9.5° | 65.0° |
| O22 | C21 | O23 | HO23 | 0.0° | 0.0° |
| H30 | C30 | C31 | H31 | 1.8° | 0.2° |
| C25 | C24 | H24 | H24A | 113.5° | 120.0° |
| C24 | C25 | C27 | C26 | 128.3° | 120.0° |
| C24 | C25 | C27 | H25 | 115.3° | 120.0° |
| C24 | C25 | C26 | H25 | 114.7° | 120.0° |
| C24 | C25 | C26 | H26 | 180.0° | 60.0° |
| C24 | C25 | C26 | H26A | 60.0° | 180.0° |
| C24 | C25 | C26 | H26B | 60.0° | 60.0° |
| C24 | C25 | C27 | H27 | 180.0° | 60.0° |
| C24 | C25 | C27 | H27A | 60.0° | 180.0° |
| C24 | C25 | C27 | H27B | 60.0° | 60.0° |
| H24 | C24 | C25 | C27 | 31.2° | 175.0° |
| H24 | C24 | C25 | C26 | 93.1° | 55.0° |
| H24 | C24 | C25 | H25 | 151.4° | 65.0° |
| H24A | C24 | C25 | C27 | 88.8° | 55.0° |
| H24A | C24 | C25 | C26 | 146.9° | 65.0° |
| H24A | C24 | C25 | H25 | 31.4° | 175.0° |
| C27 | C25 | C26 | H25 | 120.3° | 120.0° |
| C27 | C25 | C26 | H26 | 54.9° | 60.0° |
| C27 | C25 | C26 | H26A | 174.9° | 60.0° |
| C27 | C25 | C26 | H26B | 65.0° | 180.0° |
| C25 | C27 | H27 | H27A | 120.0° | 120.1° |
| C25 | C27 | H27 | H27B | 120.0° | 120.0° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 120.0° | 120.1° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C25 | C27 | H27 | 51.7° | 180.0° |
| C26 | C25 | C27 | H27A | 68.3° | 59.9° |
| C26 | C25 | C27 | H27B | 171.7° | 60.0° |
| H25 | C25 | C26 | H26 | 65.4° | 180.0° |
| H25 | C25 | C26 | H26A | 54.6° | 60.0° |
| H25 | C25 | C26 | H26B | 174.7° | 60.0° |
| H25 | C25 | C27 | H27 | 64.7° | 60.0° |
| H25 | C25 | C27 | H27A | 175.3° | 60.0° |
| H25 | C25 | C27 | H27B | 55.3° | NaN° |
| H26 | C26 | H26A | H26B | 120.0° | 119.9° |
| H27 | C27 | H27A | H27B | 120.0° | 119.9° |
