XU3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| C24 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| H2 | C2 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.55Å | 1.57Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C11 | CL2 | sing | 1.74Å | 1.72Å | |
| S6 | C3 | sing | 1.81Å | 1.83Å | |
| C4 | C3 | sing | 1.55Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | CL3 | sing | 1.74Å | 1.72Å | |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| H4A | C4 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| H5 | C5 | sing | 1.09Å | 1.10Å | |
| C7 | C5 | sing | 1.51Å | 1.50Å | |
| O10 | S6 | doub | 1.42Å | 1.43Å | |
| S6 | O9 | doub | 1.42Å | 1.44Å | |
| S6 | C8 | sing | 1.76Å | 1.78Å | |
| N17 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| H14 | C14 | sing | 1.08Å | 1.08Å | |
| H15 | C15 | sing | 1.08Å | 1.08Å | |
| HN17 | N17 | sing | 0.97Å | 1.00Å | |
| C18 | N17 | sing | 1.47Å | 1.44Å | |
| C22 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| N20 | C19 | doub | 1.28Å | 1.16Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| H22 | C22 | sing | 1.09Å | 1.10Å | |
| H22A | C22 | sing | 1.09Å | 1.10Å | |
| O26 | C24 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C34 | C25 | sing | 1.53Å | 1.52Å | |
| C33 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C27 | sing | 1.51Å | 1.49Å | |
| C27 | S31 | sing | 1.76Å | 1.74Å | Aromatic |
| C27 | C28 | doub | 1.33Å | 1.33Å | Aromatic |
| H28 | C28 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.34Å | 1.34Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| S31 | C30 | sing | 1.76Å | 1.73Å | Aromatic |
| H33A | C33 | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| H34A | C34 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N1 | C24 | 122.0° | 125.6° |
| C5 | N1 | C2 | 108.8° | 108.7° |
| N1 | C5 | C4 | 107.3° | 107.3° |
| N1 | C5 | H5 | 108.7° | 109.9° |
| N1 | C5 | C7 | 112.1° | 109.9° |
| C24 | N1 | C2 | 129.0° | 125.7° |
| N1 | C24 | O26 | 121.7° | 120.0° |
| N1 | C24 | C25 | 119.5° | 120.0° |
| N1 | C2 | H2 | 110.0° | 110.3° |
| N1 | C2 | C3 | 108.1° | 104.9° |
| N1 | C2 | H2A | 110.3° | 110.4° |
| H2 | C2 | C3 | 109.9° | 110.4° |
| H2 | C2 | H2A | 108.4° | 110.3° |
| C3 | C2 | H2A | 110.2° | 110.4° |
| C2 | C3 | S6 | 116.4° | 111.0° |
| C2 | C3 | C4 | 103.2° | 101.6° |
| C2 | C3 | H3 | 108.7° | 111.0° |
| CL2 | C11 | C8 | 117.9° | 120.0° |
| CL2 | C11 | C12 | 122.4° | 120.0° |
| S6 | C3 | C4 | 107.8° | 111.1° |
| S6 | C3 | H3 | 104.2° | 110.9° |
| C3 | S6 | O10 | 106.8° | 110.6° |
| C3 | S6 | O9 | 111.0° | 110.6° |
| C3 | S6 | C8 | 104.5° | 104.4° |
| C4 | C3 | H3 | 117.2° | 111.0° |
| C3 | C4 | C5 | 105.0° | 103.0° |
| C3 | C4 | H4A | 111.0° | 110.7° |
| C3 | C4 | H4 | 112.0° | 110.7° |
| CL3 | C30 | C29 | 129.1° | 125.2° |
| CL3 | C30 | S31 | 118.7° | 125.2° |
| C5 | C4 | H4A | 111.0° | 110.9° |
| C5 | C4 | H4 | 111.9° | 110.7° |
| C4 | C5 | H5 | 112.7° | 109.9° |
| C4 | C5 | C7 | 108.0° | 109.9° |
| H4A | C4 | H4 | 106.1° | 110.6° |
| H5 | C5 | C7 | 108.0° | 109.9° |
| C5 | C7 | N17 | 115.3° | 120.0° |
| C5 | C7 | O16 | 121.3° | 120.0° |
| O10 | S6 | O9 | 120.3° | 121.0° |
| O10 | S6 | C8 | 100.4° | 104.2° |
| O9 | S6 | C8 | 112.3° | 104.2° |
| S6 | C8 | C15 | 119.9° | 120.0° |
| S6 | C8 | C11 | 120.3° | 120.0° |
| N17 | C7 | O16 | 123.4° | 120.0° |
| C7 | N17 | HN17 | 119.6° | 120.0° |
| C7 | N17 | C18 | 120.8° | 120.0° |
| C15 | C8 | C11 | 119.8° | 120.0° |
| C8 | C15 | C14 | 120.7° | 120.0° |
| C8 | C15 | H15 | 119.6° | 120.0° |
| C8 | C11 | C12 | 119.7° | 120.0° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C11 | C12 | H12 | 119.6° | 120.0° |
| C13 | C12 | H12 | 119.6° | 120.0° |
| C12 | C13 | C14 | 119.7° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C14 | C13 | H13 | 120.2° | 120.0° |
| C13 | C14 | C15 | 119.3° | 120.0° |
| C13 | C14 | H14 | 120.4° | 120.0° |
| C15 | C14 | H14 | 120.3° | 120.0° |
| C14 | C15 | H15 | 119.7° | 120.0° |
| HN17 | N17 | C18 | 119.6° | 120.0° |
| N17 | C18 | C22 | 115.5° | 117.5° |
| N17 | C18 | C19 | 111.4° | 115.5° |
| N17 | C18 | C21 | 117.5° | 117.5° |
| C22 | C18 | C19 | 123.0° | 117.5° |
| C22 | C18 | C21 | 59.8° | 60.0° |
| C18 | C22 | C21 | 60.2° | 60.0° |
| C18 | C22 | H22 | 130.8° | 117.5° |
| C18 | C22 | H22A | 135.9° | 117.5° |
| C19 | C18 | C21 | 120.8° | 117.5° |
| C18 | C19 | N20 | 123.6° | 120.0° |
| C18 | C19 | H19 | 118.2° | 120.0° |
| C18 | C21 | C22 | 60.0° | 60.0° |
| C18 | C21 | H21 | 130.9° | 117.5° |
| C18 | C21 | H21A | 136.0° | 117.5° |
| N20 | C19 | H19 | 118.2° | 120.0° |
| C19 | N20 | HN20 | 111.7° | 120.0° |
| C22 | C21 | H21 | 130.9° | 117.5° |
| C22 | C21 | H21A | 136.0° | 117.6° |
| C21 | C22 | H22 | 130.8° | 117.5° |
| C21 | C22 | H22A | 135.9° | 117.5° |
| H21 | C21 | H21A | 74.8° | 115.6° |
| H22 | C22 | H22A | 74.9° | 115.6° |
| O26 | C24 | C25 | 118.8° | 120.0° |
| C24 | C25 | C34 | 114.4° | 117.5° |
| C24 | C25 | C33 | 119.2° | 117.5° |
| C24 | C25 | C27 | 116.1° | 115.6° |
| C34 | C25 | C33 | 60.4° | 60.0° |
| C34 | C25 | C27 | 117.5° | 117.5° |
| C25 | C34 | C33 | 60.3° | 60.0° |
| C25 | C34 | H34A | 130.7° | 117.5° |
| C25 | C34 | H34 | 135.8° | 117.5° |
| C33 | C25 | C27 | 117.5° | 117.5° |
| C25 | C33 | H33A | 131.3° | 117.5° |
| C25 | C33 | C34 | 59.3° | 60.0° |
| C25 | C33 | H33 | 136.4° | 117.5° |
| C25 | C27 | S31 | 119.3° | 125.2° |
| C25 | C27 | C28 | 129.1° | 125.2° |
| S31 | C27 | C28 | 111.5° | 109.6° |
| C27 | S31 | C30 | 89.5° | 91.0° |
| C27 | C28 | H28 | 123.0° | 122.5° |
| C27 | C28 | C29 | 114.1° | 114.9° |
| H28 | C28 | C29 | 123.0° | 122.5° |
| C28 | C29 | C30 | 112.7° | 114.9° |
| C28 | C29 | H29 | 123.6° | 122.5° |
| C30 | C29 | H29 | 123.6° | 122.5° |
| C29 | C30 | S31 | 112.2° | 109.6° |
| H33A | C33 | C34 | 131.3° | 117.5° |
| H33A | C33 | H33 | 74.1° | 115.5° |
| C34 | C33 | H33 | 136.4° | 117.5° |
| C33 | C34 | H34A | 130.7° | 117.5° |
| C33 | C34 | H34 | 135.8° | 117.6° |
| H34A | C34 | H34 | 75.0° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N1 | C24 | C2 | 174.7° | 179.6° |
| C5 | N1 | C2 | H2 | 114.4° | 94.8° |
| C5 | N1 | C2 | C3 | 5.6° | 24.1° |
| C5 | N1 | C2 | H2A | 126.2° | 143.0° |
| N1 | C5 | C4 | C3 | 28.4° | 22.2° |
| N1 | C5 | C4 | H5 | 119.7° | 119.5° |
| N1 | C5 | C4 | C7 | 121.0° | 119.4° |
| N1 | C5 | C4 | H4A | 148.4° | 140.6° |
| N1 | C5 | C4 | H4 | 93.3° | 96.2° |
| N1 | C5 | H5 | C7 | 121.9° | 121.1° |
| N1 | C5 | C7 | N17 | 133.5° | 180.0° |
| N1 | C5 | C7 | O16 | 48.8° | 0.0° |
| C5 | N1 | C24 | O26 | 3.3° | 37.6° |
| C5 | N1 | C24 | C25 | 176.6° | 142.5° |
| C24 | N1 | C2 | H2 | 60.9° | 85.5° |
| C24 | N1 | C2 | C3 | 179.1° | 155.6° |
| C24 | N1 | C2 | H2A | 58.5° | 36.7° |
| C24 | N1 | C5 | C4 | 163.0° | 178.6° |
| C24 | N1 | C5 | H5 | 74.7° | 61.9° |
| C24 | N1 | C5 | C7 | 44.6° | 59.2° |
| N1 | C24 | O26 | C25 | 180.0° | 179.9° |
| N1 | C24 | C25 | C34 | 148.3° | 134.6° |
| N1 | C24 | C25 | C33 | 79.9° | 156.8° |
| N1 | C24 | C25 | C27 | 69.8° | 11.2° |
| N1 | C2 | H2 | C3 | 118.9° | 115.4° |
| N1 | C2 | H2 | H2A | 120.6° | 122.3° |
| N1 | C2 | C3 | H2A | 120.6° | 118.9° |
| N1 | C2 | C3 | S6 | 106.1° | 155.1° |
| N1 | C2 | C3 | C4 | 11.7° | 36.9° |
| N1 | C2 | C3 | H3 | 136.8° | 81.1° |
| C2 | N1 | C5 | C4 | 21.3° | 1.0° |
| C2 | N1 | C5 | H5 | 100.9° | 118.4° |
| C2 | N1 | C5 | C7 | 139.7° | 120.5° |
| C2 | N1 | C24 | O26 | 178.1° | 142.1° |
| C2 | N1 | C24 | C25 | 1.9° | 37.9° |
| H2 | C2 | C3 | H2A | 119.4° | 122.3° |
| H2 | C2 | C3 | S6 | 14.0° | 36.3° |
| H2 | C2 | C3 | C4 | 131.7° | 81.9° |
| H2 | C2 | C3 | H3 | 103.2° | 160.1° |
| C2 | C3 | S6 | C4 | 115.2° | 112.2° |
| C2 | C3 | S6 | H3 | 119.6° | 123.9° |
| C2 | C3 | C4 | H3 | 119.4° | 118.0° |
| C2 | C3 | C4 | C5 | 23.7° | 35.4° |
| C2 | C3 | C4 | H4A | 143.7° | 154.0° |
| C2 | C3 | C4 | H4 | 98.0° | 82.9° |
| C2 | C3 | S6 | O10 | 51.5° | 73.2° |
| C2 | C3 | S6 | O9 | 175.7° | 63.6° |
| C2 | C3 | S6 | C8 | 54.4° | 175.2° |
| H2A | C2 | C3 | S6 | 133.4° | 86.0° |
| H2A | C2 | C3 | C4 | 108.9° | 155.9° |
| H2A | C2 | C3 | H3 | 16.2° | 37.8° |
| CL2 | C11 | C8 | S6 | 0.1° | 0.0° |
| CL2 | C11 | C8 | C15 | 179.9° | 179.7° |
| CL2 | C11 | C8 | C12 | 179.9° | 179.9° |
| CL2 | C11 | C12 | C13 | 179.6° | 180.0° |
| CL2 | C11 | C12 | H12 | 0.4° | 0.1° |
| S6 | C3 | C4 | H3 | 117.0° | 123.8° |
| S6 | C3 | C4 | C5 | 99.9° | 153.6° |
| S6 | C3 | C4 | H4A | 20.1° | 87.8° |
| S6 | C3 | C4 | H4 | 138.4° | 35.2° |
| C3 | S6 | O10 | O9 | 127.6° | 131.6° |
| C3 | S6 | O10 | C8 | 108.7° | 111.7° |
| C3 | S6 | O9 | C8 | 116.6° | 111.7° |
| C3 | S6 | C8 | C15 | 97.7° | 114.4° |
| C3 | S6 | C8 | C11 | 82.6° | 65.4° |
| C3 | C4 | C5 | H4A | 120.0° | 118.4° |
| C3 | C4 | C5 | H4 | 121.7° | 118.4° |
| C3 | C4 | H4A | H4 | 121.8° | 123.1° |
| C3 | C4 | C5 | H5 | 91.3° | 141.7° |
| C3 | C4 | C5 | C7 | 149.5° | 97.2° |
| C4 | C3 | S6 | O10 | 63.7° | 174.5° |
| C4 | C3 | S6 | O9 | 69.1° | 48.6° |
| C4 | C3 | S6 | C8 | 169.6° | 62.9° |
| H3 | C3 | C4 | C5 | 143.1° | 82.6° |
| H3 | C3 | C4 | H4A | 96.9° | 36.0° |
| H3 | C3 | C4 | H4 | 21.4° | 159.1° |
| H3 | C3 | S6 | O10 | 171.1° | 50.6° |
| H3 | C3 | S6 | O9 | 56.1° | 172.5° |
| H3 | C3 | S6 | C8 | 65.3° | 61.0° |
| CL3 | C30 | S31 | C27 | 178.6° | 179.9° |
| CL3 | C30 | C29 | C28 | 179.6° | 180.0° |
| CL3 | C30 | C29 | S31 | 178.9° | 179.7° |
| CL3 | C30 | C29 | H29 | 0.4° | 0.1° |
| C5 | C4 | H4A | H4 | 121.8° | 123.3° |
| C4 | C5 | H5 | C7 | 119.3° | 121.1° |
| C4 | C5 | C7 | N17 | 108.5° | 62.2° |
| C4 | C5 | C7 | O16 | 69.3° | 117.8° |
| H4A | C4 | C5 | H5 | 28.7° | 99.9° |
| H4A | C4 | C5 | C7 | 90.5° | 21.2° |
| H4 | C4 | C5 | H5 | 147.1° | 23.3° |
| H4 | C4 | C5 | C7 | 27.8° | 144.4° |
| H5 | C5 | C7 | N17 | 13.7° | 58.9° |
| H5 | C5 | C7 | O16 | 168.5° | 121.1° |
| C5 | C7 | N17 | O16 | 177.7° | 180.0° |
| C5 | C7 | N17 | HN17 | 3.3° | 0.0° |
| C5 | C7 | N17 | C18 | 176.7° | 180.0° |
| O10 | S6 | O9 | C8 | 117.8° | 116.7° |
| O10 | S6 | C8 | C15 | 12.9° | 129.5° |
| O10 | S6 | C8 | C11 | 166.9° | 50.7° |
| O9 | S6 | C8 | C15 | 141.9° | 1.7° |
| O9 | S6 | C8 | C11 | 37.8° | 178.6° |
| S6 | C8 | C15 | C11 | 179.7° | 179.8° |
| S6 | C8 | C11 | C12 | 179.7° | 180.0° |
| S6 | C8 | C15 | C14 | 179.5° | 179.8° |
| S6 | C8 | C15 | H15 | 0.5° | 0.0° |
| C7 | N17 | HN17 | C18 | 180.0° | 180.0° |
| C7 | N17 | C18 | C22 | 117.5° | 111.2° |
| C7 | N17 | C18 | C19 | 95.8° | 34.4° |
| C7 | N17 | C18 | C21 | 49.8° | 179.9° |
| O16 | C7 | N17 | HN17 | 179.0° | 180.0° |
| O16 | C7 | N17 | C18 | 1.0° | 0.0° |
| C15 | C8 | C11 | C12 | 0.0° | 0.2° |
| C8 | C15 | C14 | C13 | 0.1° | 0.5° |
| C8 | C15 | C14 | H15 | 180.0° | 179.8° |
| C8 | C15 | C14 | H14 | 179.9° | 179.7° |
| C8 | C11 | C12 | C13 | 0.3° | 0.1° |
| C8 | C11 | C12 | H12 | 179.7° | 180.0° |
| C11 | C8 | C15 | C14 | 0.2° | 0.5° |
| C11 | C8 | C15 | H15 | 179.8° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.1° |
| C11 | C12 | C13 | H13 | 179.6° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| H12 | C12 | C13 | C14 | 179.6° | 180.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C13 | C14 | C15 | H15 | 179.9° | 179.8° |
| H13 | C13 | C14 | C15 | 179.8° | 179.8° |
| H13 | C13 | C14 | H14 | 0.2° | 0.1° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| HN17 | N17 | C18 | C22 | 62.5° | 68.8° |
| HN17 | N17 | C18 | C19 | 84.2° | 145.6° |
| HN17 | N17 | C18 | C21 | 130.2° | 0.1° |
| N17 | C18 | C22 | C19 | 142.4° | 144.9° |
| N17 | C18 | C22 | C21 | 108.4° | 107.5° |
| N17 | C18 | C19 | C21 | 144.4° | 145.7° |
| N17 | C18 | C19 | N20 | 172.9° | 25.6° |
| N17 | C18 | C19 | H19 | 7.1° | 154.4° |
| N17 | C18 | C21 | H21 | 135.0° | 145.0° |
| N17 | C18 | C21 | H21A | 21.7° | 0.1° |
| N17 | C18 | C22 | H22 | 11.6° | 0.1° |
| N17 | C18 | C22 | H22A | 124.9° | 145.0° |
| C22 | C18 | C19 | C21 | 71.9° | 68.7° |
| C22 | C18 | C19 | N20 | 29.2° | 171.2° |
| C22 | C18 | C19 | H19 | 150.8° | 8.8° |
| C18 | C22 | C21 | H22 | 120.0° | 107.5° |
| C18 | C22 | C21 | H22A | 126.7° | 107.5° |
| C18 | C22 | C21 | H21 | 120.0° | 107.4° |
| C18 | C22 | C21 | H21A | 126.7° | 107.4° |
| C18 | C22 | H22 | H22A | 138.5° | 145.8° |
| C18 | C19 | N20 | H19 | 180.0° | 179.9° |
| C18 | C19 | N20 | HN20 | 180.0° | 180.0° |
| C19 | C18 | C21 | H21 | 7.3° | 0.0° |
| C19 | C18 | C21 | H21A | 120.6° | 144.9° |
| C19 | C18 | C22 | H22 | 130.8° | 145.0° |
| C19 | C18 | C22 | H22A | 17.5° | 0.1° |
| C21 | C18 | C19 | N20 | 42.7° | 120.1° |
| C21 | C18 | C19 | H19 | 137.3° | 59.9° |
| C18 | C21 | H21 | H21A | 138.6° | 145.6° |
| H19 | C19 | N20 | HN20 | 0.0° | 0.1° |
| C22 | C21 | H21 | H21A | 138.6° | 145.8° |
| C21 | C22 | H22 | H22A | 138.5° | 145.6° |
| H21 | C21 | C22 | H22 | 120.0° | 145.0° |
| H21 | C21 | C22 | H22A | 6.7° | 0.1° |
| H21A | C21 | C22 | H22 | 6.7° | 0.1° |
| H21A | C21 | C22 | H22A | 106.6° | 145.1° |
| O26 | C24 | C25 | C34 | 31.7° | 45.4° |
| O26 | C24 | C25 | C33 | 100.1° | 23.2° |
| O26 | C24 | C25 | C27 | 110.2° | 168.9° |
| C24 | C25 | C34 | C33 | 111.0° | 107.5° |
| C24 | C25 | C34 | C27 | 141.4° | 145.1° |
| C24 | C25 | C33 | C27 | 149.2° | 145.0° |
| C24 | C25 | C27 | S31 | 69.0° | 117.4° |
| C24 | C25 | C27 | C28 | 115.1° | 62.3° |
| C24 | C25 | C33 | H33A | 136.9° | 0.0° |
| C24 | C25 | C33 | H33 | 23.6° | 145.0° |
| C24 | C25 | C34 | H34A | 9.0° | 145.1° |
| C24 | C25 | C34 | H34 | 122.3° | 0.1° |
| C34 | C25 | C33 | C27 | 107.6° | 107.5° |
| C34 | C25 | C27 | S31 | 71.7° | 96.9° |
| C34 | C25 | C27 | C28 | 104.2° | 83.4° |
| C34 | C25 | C33 | H33A | 120.0° | 107.5° |
| C25 | C34 | C33 | H34A | 120.0° | 107.5° |
| C25 | C34 | C33 | H34 | 126.7° | 107.5° |
| C25 | C34 | C33 | H33 | 126.6° | 107.5° |
| C25 | C34 | H34A | H34 | 138.5° | 145.6° |
| C33 | C25 | C27 | S31 | 140.8° | 28.2° |
| C33 | C25 | C27 | C28 | 35.1° | 152.1° |
| C25 | C33 | H33A | H33 | 138.8° | 145.7° |
| C25 | C27 | S31 | C28 | 176.6° | 179.7° |
| C25 | C27 | C28 | H28 | 1.6° | 0.0° |
| C25 | C27 | C28 | C29 | 178.4° | 180.0° |
| C25 | C27 | S31 | C30 | 178.1° | 179.9° |
| C27 | C25 | C33 | H33A | 12.4° | 145.0° |
| C27 | C25 | C33 | H33 | 125.7° | 0.0° |
| C27 | C25 | C34 | H34A | 132.3° | 0.0° |
| C27 | C25 | C34 | H34 | 19.1° | 144.9° |
| S31 | C27 | C28 | H28 | 177.8° | 179.8° |
| S31 | C27 | C28 | C29 | 2.2° | 0.3° |
| C27 | S31 | C30 | C29 | 0.4° | 0.4° |
| C27 | C28 | H28 | C29 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.9° | 0.0° |
| C27 | C28 | C29 | H29 | 178.1° | 179.9° |
| C28 | C27 | S31 | C30 | 1.5° | 0.4° |
| H28 | C28 | C29 | C30 | 178.0° | 180.0° |
| H28 | C28 | C29 | H29 | 1.9° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | S31 | 0.7° | 0.3° |
| H29 | C29 | C30 | S31 | 179.3° | 179.8° |
| H33A | C33 | C34 | H33 | 113.3° | 145.0° |
| H33A | C33 | C34 | H34A | 120.0° | 145.1° |
| H33A | C33 | C34 | H34 | 6.7° | 0.0° |
| C33 | C34 | H34A | H34 | 138.5° | 145.8° |
| H33 | C33 | C34 | H34A | 6.6° | 0.0° |
| H33 | C33 | C34 | H34 | 106.6° | 145.0° |
