XUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.41Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | N35 | sing | 1.37Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | N33 | sing | 1.35Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.52Å | |
| C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | O8 | doub | 1.22Å | 1.23Å | |
| C7 | N9 | sing | 1.35Å | 1.35Å | |
| N9 | C10 | sing | 1.45Å | 1.48Å | |
| N9 | C15 | sing | 1.45Å | 1.48Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C11 | C12 | sing | 1.52Å | 1.47Å | |
| C12 | C13 | doub | 1.35Å | 1.38Å | Aromatic |
| C12 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.52Å | 1.50Å | |
| C13 | N16 | sing | 1.35Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| N16 | N17 | sing | 1.40Å | 1.37Å | Aromatic |
| N17 | C18 | doub | 1.31Å | 1.31Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.35Å | |
| O19 | C20 | sing | 1.43Å | 1.45Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C29 | sing | 1.51Å | 1.55Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | CL28 | sing | 1.74Å | 1.73Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C27 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.57Å | |
| C29 | C32 | sing | 1.53Å | 1.55Å | |
| N33 | N34 | doub | 1.29Å | 1.31Å | Aromatic |
| N34 | N35 | sing | 1.40Å | 1.34Å | Aromatic |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C15 | H45 | sing | 1.09Å | 1.10Å | |
| C15 | H46 | sing | 1.09Å | 1.10Å | |
| C20 | H48 | sing | 1.09Å | 1.10Å | |
| C20 | H49 | sing | 1.09Å | 1.10Å | |
| C23 | H50 | sing | 1.08Å | 1.08Å | |
| C26 | H51 | sing | 1.08Å | 1.08Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.08Å | 1.08Å | |
| C5 | H37 | sing | 1.08Å | 1.08Å | |
| C6 | H38 | sing | 1.08Å | 1.08Å | |
| C14 | H44 | sing | 1.09Å | 1.10Å | |
| C14 | H43 | sing | 1.09Å | 1.10Å | |
| N16 | H47 | sing | 0.97Å | 1.00Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| N35 | H64 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.1° | 120.2° |
| C2 | C1 | N35 | 104.1° | 106.1° |
| C1 | C2 | C3 | 119.8° | 119.4° |
| C1 | C2 | N33 | 108.1° | 107.6° |
| C6 | C1 | N35 | 133.8° | 133.7° |
| C1 | C6 | C5 | 118.4° | 120.2° |
| C1 | C6 | H38 | 120.8° | 119.9° |
| C1 | N35 | N34 | 110.8° | 106.7° |
| C1 | N35 | H64 | 124.6° | 126.7° |
| C3 | C2 | N33 | 132.1° | 133.1° |
| C2 | C3 | C4 | 118.7° | 119.6° |
| C2 | C3 | H36 | 120.7° | 120.2° |
| C2 | N33 | N34 | 108.3° | 110.2° |
| C3 | C4 | C5 | 119.2° | 120.3° |
| C3 | C4 | C7 | 121.0° | 119.9° |
| C4 | C3 | H36 | 120.7° | 120.3° |
| C5 | C4 | C7 | 119.8° | 119.8° |
| C4 | C5 | C6 | 121.8° | 120.4° |
| C4 | C5 | H37 | 119.1° | 119.8° |
| C4 | C7 | O8 | 119.6° | 120.0° |
| C4 | C7 | N9 | 120.1° | 120.0° |
| C6 | C5 | H37 | 119.1° | 119.7° |
| C5 | C6 | H38 | 120.8° | 119.9° |
| O8 | C7 | N9 | 120.3° | 120.0° |
| C7 | N9 | C10 | 121.0° | 117.0° |
| C7 | N9 | C15 | 118.9° | 116.9° |
| C10 | N9 | C15 | 120.0° | 126.1° |
| N9 | C10 | C11 | 115.5° | 109.5° |
| N9 | C10 | H40 | 108.0° | 109.4° |
| N9 | C10 | H39 | 107.9° | 109.5° |
| N9 | C15 | C14 | 113.7° | 109.5° |
| N9 | C15 | H45 | 108.4° | 109.5° |
| N9 | C15 | H46 | 108.4° | 109.5° |
| C10 | C11 | C12 | 118.1° | 107.0° |
| C11 | C10 | H40 | 107.9° | 109.5° |
| C11 | C10 | H39 | 107.9° | 109.5° |
| C10 | C11 | H41 | 107.3° | 110.0° |
| C10 | C11 | H42 | 107.3° | 110.0° |
| C11 | C12 | C13 | 128.0° | 124.8° |
| C11 | C12 | C18 | 128.3° | 126.9° |
| C12 | C11 | H41 | 107.3° | 110.0° |
| C12 | C11 | H42 | 107.3° | 109.9° |
| C13 | C12 | C18 | 103.7° | 108.2° |
| C12 | C13 | C14 | 126.9° | 124.9° |
| C12 | C13 | N16 | 105.6° | 108.1° |
| C12 | C18 | N17 | 114.4° | 107.7° |
| C12 | C18 | O19 | 121.2° | 126.1° |
| C14 | C13 | N16 | 127.4° | 127.0° |
| C13 | C14 | C15 | 110.0° | 107.0° |
| C13 | C14 | H44 | 109.3° | 110.0° |
| C13 | C14 | H43 | 109.4° | 110.0° |
| C13 | N16 | N17 | 114.7° | 107.7° |
| C13 | N16 | H47 | 122.6° | 126.2° |
| C14 | C15 | H45 | 108.4° | 109.5° |
| C14 | C15 | H46 | 108.4° | 109.4° |
| C15 | C14 | H44 | 109.3° | 110.0° |
| C15 | C14 | H43 | 109.3° | 109.9° |
| N16 | N17 | C18 | 101.6° | 108.2° |
| N17 | N16 | H47 | 122.7° | 126.1° |
| N17 | C18 | O19 | 124.2° | 126.1° |
| C18 | O19 | C20 | 116.1° | 117.0° |
| O19 | C20 | C21 | 112.9° | 109.5° |
| O19 | C20 | H48 | 108.6° | 109.5° |
| O19 | C20 | H49 | 108.6° | 109.4° |
| C20 | C21 | C22 | 127.6° | 120.0° |
| C20 | C21 | C26 | 112.7° | 120.0° |
| C21 | C20 | H48 | 108.6° | 109.5° |
| C21 | C20 | H49 | 108.6° | 109.4° |
| C22 | C21 | C26 | 119.6° | 120.0° |
| C21 | C22 | C23 | 118.0° | 120.0° |
| C21 | C22 | C29 | 125.9° | 120.0° |
| C21 | C26 | C25 | 122.8° | 120.0° |
| C21 | C26 | H51 | 118.6° | 120.0° |
| C23 | C22 | C29 | 116.0° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C22 | C23 | H50 | 120.0° | 120.0° |
| C22 | C29 | C30 | 113.9° | 109.5° |
| C22 | C29 | C31 | 108.3° | 109.5° |
| C22 | C29 | C32 | 113.1° | 109.5° |
| C23 | C24 | C25 | 122.9° | 120.0° |
| C23 | C24 | CL28 | 118.5° | 120.0° |
| C24 | C23 | H50 | 120.0° | 120.0° |
| C25 | C24 | CL28 | 118.6° | 120.0° |
| C24 | C25 | C26 | 116.6° | 120.0° |
| C24 | C25 | C27 | 122.6° | 120.0° |
| C26 | C25 | C27 | 120.7° | 120.0° |
| C25 | C26 | H51 | 118.6° | 120.0° |
| C25 | C27 | H52 | 109.5° | 109.5° |
| C25 | C27 | H53 | 109.5° | 109.5° |
| C25 | C27 | H54 | 109.5° | 109.5° |
| C30 | C29 | C31 | 108.2° | 109.5° |
| C30 | C29 | C32 | 105.5° | 109.5° |
| C29 | C30 | H55 | 109.5° | 109.5° |
| C29 | C30 | H57 | 109.5° | 109.4° |
| C29 | C30 | H56 | 109.5° | 109.5° |
| C31 | C29 | C32 | 107.6° | 109.5° |
| C29 | C31 | H58 | 109.5° | 109.4° |
| C29 | C31 | H59 | 109.4° | 109.5° |
| C29 | C31 | H60 | 109.5° | 109.5° |
| C29 | C32 | H62 | 109.5° | 109.5° |
| C29 | C32 | H63 | 109.4° | 109.5° |
| C29 | C32 | H61 | 109.4° | 109.5° |
| N33 | N34 | N35 | 108.6° | 109.5° |
| N34 | N35 | H64 | 124.6° | 126.6° |
| H40 | C10 | H39 | 109.5° | 109.5° |
| H41 | C11 | H42 | 109.5° | 110.0° |
| H45 | C15 | H46 | 109.5° | 109.5° |
| H48 | C20 | H49 | 109.5° | 109.5° |
| H52 | C27 | H53 | 109.5° | 109.5° |
| H52 | C27 | H54 | 109.4° | 109.4° |
| H53 | C27 | H54 | 109.4° | 109.5° |
| H44 | C14 | H43 | 109.4° | 110.0° |
| H55 | C30 | H57 | 109.5° | 109.5° |
| H55 | C30 | H56 | 109.5° | 109.5° |
| H57 | C30 | H56 | 109.5° | 109.5° |
| H58 | C31 | H59 | 109.4° | 109.5° |
| H58 | C31 | H60 | 109.5° | 109.4° |
| H59 | C31 | H60 | 109.5° | 109.5° |
| H62 | C32 | H63 | 109.4° | 109.4° |
| H62 | C32 | H61 | 109.5° | 109.4° |
| H63 | C32 | H61 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N35 | 179.3° | 179.7° |
| C1 | C2 | C3 | N33 | 177.5° | 179.9° |
| C1 | C2 | C3 | C4 | 1.7° | 0.1° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C1 | C2 | N33 | N34 | 2.1° | 0.0° |
| C2 | C1 | N35 | N34 | 0.6° | 0.4° |
| C1 | C2 | C3 | H36 | 178.3° | 180.0° |
| C2 | C1 | C6 | H38 | 179.4° | 180.0° |
| C2 | C1 | N35 | H64 | 179.4° | 179.9° |
| C6 | C1 | C2 | C3 | 0.5° | 0.1° |
| C6 | C1 | C2 | N33 | 178.6° | 180.0° |
| C1 | C6 | C5 | C4 | 1.9° | 0.1° |
| C1 | C6 | C5 | H38 | 180.0° | 180.0° |
| C6 | C1 | N35 | N34 | 179.9° | 179.9° |
| C1 | C6 | C5 | H37 | 178.1° | 180.0° |
| C6 | C1 | N35 | H64 | 0.1° | 0.2° |
| N35 | C1 | C2 | C3 | 178.9° | 179.8° |
| N35 | C1 | C2 | N33 | 0.9° | 0.3° |
| N35 | C1 | C6 | C5 | 178.6° | 179.7° |
| C1 | N35 | N34 | N33 | 1.9° | 0.4° |
| C1 | N35 | N34 | H64 | 180.0° | 179.7° |
| N35 | C1 | C6 | H38 | 1.4° | 0.3° |
| C2 | C3 | C4 | H36 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.9° | 0.0° |
| C2 | C3 | C4 | C7 | 179.5° | 180.0° |
| C3 | C2 | N33 | N34 | 179.8° | 180.0° |
| N33 | C2 | C3 | C4 | 179.2° | 180.0° |
| C2 | N33 | N34 | N35 | 2.4° | 0.2° |
| N33 | C2 | C3 | H36 | 0.8° | 0.1° |
| C3 | C4 | C5 | C7 | 176.6° | 180.0° |
| C3 | C4 | C5 | C6 | 3.2° | 0.0° |
| C3 | C4 | C7 | O8 | 36.3° | 138.0° |
| C3 | C4 | C7 | N9 | 146.3° | 42.1° |
| C3 | C4 | C5 | H37 | 176.9° | 180.0° |
| C4 | C5 | C6 | H37 | 180.0° | 179.9° |
| C5 | C4 | C7 | O8 | 140.2° | 42.1° |
| C5 | C4 | C7 | N9 | 37.2° | 137.9° |
| C5 | C4 | C3 | H36 | 177.1° | 179.9° |
| C4 | C5 | C6 | H38 | 178.0° | 180.0° |
| C7 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | C7 | O8 | N9 | 177.4° | 180.0° |
| C4 | C7 | N9 | C10 | 27.3° | 4.2° |
| C4 | C7 | N9 | C15 | 150.3° | 175.8° |
| C7 | C4 | C3 | H36 | 0.5° | 0.1° |
| C7 | C4 | C5 | H37 | 0.2° | 0.0° |
| O8 | C7 | N9 | C10 | 155.3° | 175.8° |
| O8 | C7 | N9 | C15 | 27.1° | 4.2° |
| C7 | N9 | C10 | C15 | 177.5° | 180.0° |
| C7 | N9 | C10 | C11 | 141.1° | 109.0° |
| C7 | N9 | C15 | C14 | 136.9° | 109.0° |
| C7 | N9 | C10 | H40 | 20.2° | 11.0° |
| C7 | N9 | C10 | H39 | 98.1° | 131.0° |
| C7 | N9 | C15 | H45 | 16.3° | 11.0° |
| C7 | N9 | C15 | H46 | 102.4° | 131.0° |
| N9 | C10 | C11 | H40 | 120.9° | 120.0° |
| N9 | C10 | C11 | H39 | 120.9° | 120.0° |
| N9 | C10 | C11 | C12 | 67.7° | 74.9° |
| C10 | N9 | C15 | C14 | 40.7° | 71.0° |
| N9 | C10 | H40 | H39 | 117.3° | 120.0° |
| N9 | C10 | C11 | H41 | 53.6° | 165.7° |
| N9 | C10 | C11 | H42 | 171.1° | 44.5° |
| C10 | N9 | C15 | H45 | 161.3° | 169.0° |
| C10 | N9 | C15 | H46 | 80.0° | 49.0° |
| C15 | N9 | C10 | C11 | 41.4° | 71.0° |
| N9 | C15 | C14 | C13 | 82.2° | 74.8° |
| N9 | C15 | C14 | H45 | 120.6° | 120.1° |
| N9 | C15 | C14 | H46 | 120.6° | 120.0° |
| C15 | N9 | C10 | H40 | 162.2° | 169.0° |
| C15 | N9 | C10 | H39 | 79.5° | 49.0° |
| N9 | C15 | H45 | H46 | 118.1° | 120.1° |
| N9 | C15 | C14 | H44 | 157.7° | 165.8° |
| N9 | C15 | C14 | H43 | 37.9° | 44.5° |
| C10 | C11 | C12 | H41 | 121.2° | 119.4° |
| C10 | C11 | C12 | H42 | 121.3° | 119.4° |
| C10 | C11 | C12 | C13 | 22.8° | 65.5° |
| C10 | C11 | C12 | C18 | 158.3° | 114.5° |
| C11 | C10 | H40 | H39 | 117.2° | 120.0° |
| C10 | C11 | H41 | H42 | 116.1° | 121.3° |
| C11 | C12 | C13 | C18 | 179.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.9° | 0.0° |
| C11 | C12 | C13 | N16 | 179.6° | 179.9° |
| C11 | C12 | C18 | N17 | 179.5° | 180.0° |
| C11 | C12 | C18 | O19 | 4.8° | 0.0° |
| C12 | C11 | C10 | H40 | 171.4° | 165.1° |
| C12 | C11 | C10 | H39 | 53.2° | 45.1° |
| C12 | C11 | H41 | H42 | 116.1° | 121.2° |
| C12 | C13 | C14 | N16 | 177.2° | 179.9° |
| C12 | C13 | C14 | C15 | 42.6° | 65.5° |
| C12 | C13 | N16 | N17 | 1.1° | 0.1° |
| C13 | C12 | C18 | N17 | 1.5° | 0.0° |
| C13 | C12 | C18 | O19 | 176.1° | 180.0° |
| C13 | C12 | C11 | H41 | 98.4° | 175.1° |
| C13 | C12 | C11 | H42 | 144.1° | 53.9° |
| C12 | C13 | C14 | H44 | 162.7° | 175.1° |
| C12 | C13 | C14 | H43 | 77.5° | 53.8° |
| C12 | C13 | N16 | H47 | 178.9° | 180.0° |
| C18 | C12 | C13 | C14 | 179.1° | 180.0° |
| C18 | C12 | C13 | N16 | 1.4° | 0.0° |
| C12 | C18 | N17 | N16 | 0.8° | 0.1° |
| C12 | C18 | N17 | O19 | 174.5° | 180.0° |
| C12 | C18 | O19 | C20 | 169.3° | 180.0° |
| C18 | C12 | C11 | H41 | 80.4° | 5.0° |
| C18 | C12 | C11 | H42 | 37.1° | 126.2° |
| C13 | C14 | C15 | H44 | 120.1° | 119.4° |
| C13 | C14 | C15 | H43 | 120.1° | 119.4° |
| C14 | C13 | N16 | N17 | 178.7° | 180.0° |
| C13 | C14 | C15 | H45 | 157.2° | 165.1° |
| C13 | C14 | C15 | H46 | 38.4° | 45.2° |
| C13 | C14 | H44 | H43 | 119.8° | 121.3° |
| C14 | C13 | N16 | H47 | 1.3° | 0.1° |
| N16 | C13 | C14 | C15 | 140.2° | 114.4° |
| C13 | N16 | N17 | H47 | 180.0° | 179.9° |
| C13 | N16 | N17 | C18 | 0.2° | 0.1° |
| N16 | C13 | C14 | H44 | 20.1° | 4.9° |
| N16 | C13 | C14 | H43 | 99.7° | 126.3° |
| C14 | C15 | H45 | H46 | 118.1° | 119.9° |
| C15 | C14 | H44 | H43 | 119.7° | 121.2° |
| N16 | N17 | C18 | O19 | 175.3° | 179.9° |
| N17 | C18 | O19 | C20 | 16.6° | 0.0° |
| C18 | N17 | N16 | H47 | 179.8° | 180.0° |
| C18 | O19 | C20 | C21 | 179.3° | 180.0° |
| C18 | O19 | C20 | H48 | 58.8° | 60.0° |
| C18 | O19 | C20 | H49 | 60.2° | 60.0° |
| O19 | C20 | C21 | H48 | 120.5° | 120.0° |
| O19 | C20 | C21 | H49 | 120.5° | 119.9° |
| O19 | C20 | C21 | C22 | 80.8° | 174.4° |
| O19 | C20 | C21 | C26 | 103.0° | 5.9° |
| O19 | C20 | H48 | H49 | 118.5° | 120.0° |
| C20 | C21 | C22 | C26 | 176.0° | 179.7° |
| C20 | C21 | C22 | C23 | 177.3° | 179.9° |
| C20 | C21 | C22 | C29 | 0.9° | 0.0° |
| C20 | C21 | C26 | C25 | 179.9° | 179.7° |
| C21 | C20 | H48 | H49 | 118.4° | 120.0° |
| C20 | C21 | C26 | H51 | 0.1° | 0.0° |
| C21 | C22 | C23 | C29 | 178.4° | 179.9° |
| C21 | C22 | C23 | C24 | 1.2° | 0.1° |
| C22 | C21 | C26 | C25 | 3.3° | 0.6° |
| C21 | C22 | C29 | C30 | 167.8° | 171.9° |
| C21 | C22 | C29 | C31 | 71.7° | 52.0° |
| C21 | C22 | C29 | C32 | 47.4° | 68.1° |
| C22 | C21 | C20 | H48 | 158.7° | 65.6° |
| C22 | C21 | C20 | H49 | 39.7° | 54.4° |
| C21 | C22 | C23 | H50 | 178.8° | 180.0° |
| C22 | C21 | C26 | H51 | 176.7° | 179.7° |
| C26 | C21 | C22 | C23 | 1.3° | 0.2° |
| C26 | C21 | C22 | C29 | 176.9° | 179.7° |
| C21 | C26 | C25 | C24 | 2.6° | 0.6° |
| C21 | C26 | C25 | H51 | 180.0° | 179.7° |
| C21 | C26 | C25 | C27 | 179.9° | 179.7° |
| C26 | C21 | C20 | H48 | 17.5° | 114.1° |
| C26 | C21 | C20 | H49 | 136.5° | 125.9° |
| C22 | C23 | C24 | H50 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.9° | 0.0° |
| C22 | C23 | C24 | CL28 | 179.2° | 179.9° |
| C23 | C22 | C29 | C30 | 14.0° | 8.1° |
| C23 | C22 | C29 | C31 | 106.5° | 128.1° |
| C23 | C22 | C29 | C32 | 134.4° | 111.9° |
| C29 | C22 | C23 | C24 | 179.6° | 180.0° |
| C22 | C29 | C30 | C31 | 120.5° | 120.0° |
| C22 | C29 | C30 | C32 | 124.6° | 120.0° |
| C22 | C29 | C31 | C32 | 122.5° | 120.0° |
| C29 | C22 | C23 | H50 | 0.4° | 0.1° |
| C22 | C29 | C30 | H55 | 180.0° | 60.0° |
| C22 | C29 | C30 | H57 | 60.0° | 180.0° |
| C22 | C29 | C30 | H56 | 60.0° | 60.0° |
| C22 | C29 | C31 | H58 | 180.0° | 86.1° |
| C22 | C29 | C31 | H59 | 60.0° | 153.9° |
| C22 | C29 | C31 | H60 | 60.0° | 33.9° |
| C22 | C29 | C32 | H62 | 180.0° | 57.2° |
| C22 | C29 | C32 | H63 | 60.0° | 177.2° |
| C22 | C29 | C32 | H61 | 60.0° | 62.8° |
| C23 | C24 | C25 | CL28 | 177.2° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.3° |
| C23 | C24 | C25 | C27 | 177.2° | 180.0° |
| C24 | C25 | C26 | C27 | 177.3° | 179.7° |
| C25 | C24 | C23 | H50 | 178.0° | 179.9° |
| C24 | C25 | C26 | H51 | 177.4° | 179.7° |
| C24 | C25 | C27 | H52 | 91.5° | 89.9° |
| C24 | C25 | C27 | H53 | 148.5° | 150.0° |
| C24 | C25 | C27 | H54 | 28.5° | 30.1° |
| CL28 | C24 | C25 | C26 | 177.3° | 179.7° |
| CL28 | C24 | C25 | C27 | 0.1° | 0.1° |
| CL28 | C24 | C23 | H50 | 0.8° | 0.0° |
| C26 | C25 | C27 | H52 | 91.4° | 89.8° |
| C26 | C25 | C27 | H53 | 28.6° | 30.3° |
| C26 | C25 | C27 | H54 | 148.6° | 150.3° |
| C27 | C25 | C26 | H51 | 0.1° | 0.0° |
| C25 | C27 | H52 | H53 | 120.0° | 120.0° |
| C25 | C27 | H52 | H54 | 120.0° | 120.0° |
| C25 | C27 | H53 | H54 | 120.0° | 120.0° |
| C30 | C29 | C31 | C32 | 113.6° | 120.0° |
| C29 | C30 | H55 | H57 | 120.0° | 120.0° |
| C29 | C30 | H55 | H56 | 120.0° | 120.0° |
| C29 | C30 | H57 | H56 | 120.0° | 120.0° |
| C30 | C29 | C31 | H58 | 56.1° | 154.0° |
| C30 | C29 | C31 | H59 | 63.9° | 33.9° |
| C30 | C29 | C31 | H60 | 176.1° | 86.1° |
| C30 | C29 | C32 | H62 | 54.9° | 62.8° |
| C30 | C29 | C32 | H63 | 174.9° | 57.2° |
| C30 | C29 | C32 | H61 | 65.1° | 177.2° |
| C31 | C29 | C30 | H55 | 59.6° | 60.0° |
| C31 | C29 | C30 | H57 | 179.6° | 60.0° |
| C31 | C29 | C30 | H56 | 60.5° | 180.0° |
| C29 | C31 | H58 | H59 | 120.0° | 120.0° |
| C29 | C31 | H58 | H60 | 120.0° | 120.0° |
| C29 | C31 | H59 | H60 | 120.0° | 120.0° |
| C31 | C29 | C32 | H62 | 60.5° | 177.2° |
| C31 | C29 | C32 | H63 | 59.5° | 62.8° |
| C31 | C29 | C32 | H61 | 179.5° | 57.2° |
| C32 | C29 | C30 | H55 | 55.4° | 180.0° |
| C32 | C29 | C30 | H57 | 64.6° | 60.0° |
| C32 | C29 | C30 | H56 | 175.4° | 60.0° |
| C32 | C29 | C31 | H58 | 57.5° | 33.9° |
| C32 | C29 | C31 | H59 | 177.5° | 86.1° |
| C32 | C29 | C31 | H60 | 62.5° | 153.9° |
| C29 | C32 | H62 | H63 | 120.0° | 120.1° |
| C29 | C32 | H62 | H61 | 120.0° | 120.0° |
| C29 | C32 | H63 | H61 | 120.0° | 120.0° |
| N33 | N34 | N35 | H64 | 178.1° | 179.9° |
| H40 | C10 | C11 | H41 | 67.3° | 45.8° |
| H40 | C10 | C11 | H42 | 50.2° | 75.5° |
| H39 | C10 | C11 | H41 | 174.4° | 74.3° |
| H39 | C10 | C11 | H42 | 68.1° | 164.5° |
| H45 | C15 | C14 | H44 | 37.1° | 45.7° |
| H45 | C15 | C14 | H43 | 82.7° | 75.5° |
| H46 | C15 | C14 | H44 | 81.7° | 74.2° |
| H46 | C15 | C14 | H43 | 158.5° | 164.6° |
| H52 | C27 | H53 | H54 | 120.0° | 120.0° |
| H37 | C5 | C6 | H38 | 1.9° | 0.0° |
| H55 | C30 | H57 | H56 | 120.0° | 120.0° |
| H58 | C31 | H59 | H60 | 120.0° | 120.0° |
| H62 | C32 | H63 | H61 | 120.0° | 119.9° |
