XKU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N7 | sing | 1.46Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C6 | sing | 1.47Å | 1.48Å | |
| N5 | S8 | sing | 1.66Å | 1.62Å | |
| N7 | C9 | sing | 1.38Å | 1.38Å | |
| S8 | O20 | doub | 1.42Å | 1.45Å | |
| S8 | O21 | doub | 1.42Å | 1.44Å | |
| S8 | C22 | sing | 1.81Å | 1.77Å | |
| C9 | N10 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | N14 | sing | 1.33Å | 1.35Å | Aromatic |
| N10 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C15 | sing | 1.48Å | 1.50Å | |
| C12 | C25 | sing | 1.51Å | 1.48Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N14 | doub | 1.32Å | 1.33Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C15 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | N17 | sing | 1.35Å | 1.31Å | Aromatic |
| N17 | N18 | sing | 1.40Å | 1.34Å | Aromatic |
| N17 | C24 | sing | 1.46Å | 1.46Å | |
| N18 | C19 | doub | 1.31Å | 1.32Å | Aromatic |
| C22 | C32 | sing | 1.53Å | 1.46Å | |
| C22 | C33 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | O29 | sing | 1.43Å | 1.45Å | |
| C23 | C30 | sing | 1.53Å | 1.50Å | |
| C23 | C31 | sing | 1.53Å | 1.51Å | |
| C25 | F26 | sing | 1.40Å | 1.33Å | |
| C25 | F27 | sing | 1.40Å | 1.36Å | |
| C25 | F28 | sing | 1.40Å | 1.35Å | |
| C32 | C33 | sing | 1.53Å | 1.47Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H47 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C6 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H42 | sing | 1.09Å | 1.10Å | |
| N7 | H43 | sing | 0.97Å | 1.00Å | |
| C13 | H44 | sing | 1.08Å | 1.08Å | |
| C16 | H45 | sing | 1.08Å | 1.08Å | |
| C19 | H46 | sing | 1.08Å | 1.08Å | |
| O29 | H50 | sing | 0.97Å | 0.95Å | |
| C31 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 109.8° | 109.3° |
| C1 | C2 | C3 | 109.7° | 109.5° |
| C1 | C2 | N7 | 109.3° | 109.5° |
| C2 | C1 | H35 | 109.4° | 109.5° |
| C2 | C1 | H34 | 109.4° | 109.5° |
| C1 | C2 | H36 | 108.5° | 109.4° |
| C1 | C6 | N5 | 109.2° | 108.8° |
| C6 | C1 | H35 | 109.4° | 109.5° |
| C6 | C1 | H34 | 109.4° | 109.5° |
| C1 | C6 | H41 | 109.5° | 109.6° |
| C1 | C6 | H42 | 109.5° | 109.6° |
| C3 | C2 | N7 | 111.3° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.3° |
| C3 | C2 | H36 | 108.7° | 109.5° |
| C2 | C3 | H37 | 108.9° | 109.5° |
| C2 | C3 | H38 | 108.9° | 109.5° |
| C2 | N7 | C9 | 123.1° | 120.0° |
| N7 | C2 | H36 | 109.2° | 109.5° |
| C2 | N7 | H43 | 106.0° | 120.0° |
| C3 | C4 | N5 | 107.5° | 108.8° |
| C4 | C3 | H37 | 108.9° | 109.5° |
| C4 | C3 | H38 | 108.9° | 109.5° |
| C3 | C4 | H39 | 110.0° | 109.6° |
| C3 | C4 | H40 | 110.0° | 109.6° |
| C4 | N5 | C6 | 111.6° | 118.7° |
| C4 | N5 | S8 | 115.5° | 120.7° |
| N5 | C4 | H39 | 110.0° | 109.6° |
| N5 | C4 | H40 | 109.9° | 109.5° |
| C6 | N5 | S8 | 116.6° | 120.6° |
| N5 | C6 | H41 | 109.5° | 109.6° |
| N5 | C6 | H42 | 109.5° | 109.6° |
| N5 | S8 | O20 | 106.2° | 104.2° |
| N5 | S8 | O21 | 108.0° | 104.3° |
| N5 | S8 | C22 | 107.7° | 104.5° |
| N7 | C9 | N10 | 116.0° | 119.2° |
| N7 | C9 | N14 | 118.0° | 119.2° |
| C9 | N7 | H43 | 106.0° | 120.0° |
| O20 | S8 | O21 | 117.8° | 121.0° |
| O20 | S8 | C22 | 106.1° | 110.5° |
| O21 | S8 | C22 | 110.6° | 110.6° |
| S8 | C22 | C32 | 122.2° | 117.5° |
| S8 | C22 | C33 | 126.0° | 117.5° |
| S8 | C22 | H47 | 110.5° | 115.6° |
| N10 | C9 | N14 | 126.0° | 121.6° |
| C9 | N10 | C11 | 117.0° | 120.6° |
| C9 | N14 | C13 | 116.4° | 121.0° |
| N10 | C11 | C12 | 121.6° | 119.0° |
| N10 | C11 | C15 | 112.6° | 120.5° |
| C12 | C11 | C15 | 125.7° | 120.5° |
| C11 | C12 | C25 | 126.6° | 120.8° |
| C11 | C12 | C13 | 115.8° | 118.5° |
| C11 | C15 | C16 | 135.3° | 126.2° |
| C11 | C15 | C19 | 122.5° | 126.2° |
| C25 | C12 | C13 | 117.5° | 120.8° |
| C12 | C25 | F26 | 111.9° | 109.5° |
| C12 | C25 | F27 | 112.2° | 109.5° |
| C12 | C25 | F28 | 110.1° | 109.4° |
| C12 | C13 | N14 | 123.1° | 119.3° |
| C12 | C13 | H44 | 118.4° | 120.3° |
| N14 | C13 | H44 | 118.5° | 120.4° |
| C16 | C15 | C19 | 102.2° | 107.5° |
| C15 | C16 | N17 | 109.2° | 107.6° |
| C15 | C16 | H45 | 125.4° | 126.2° |
| C15 | C19 | N18 | 112.1° | 108.0° |
| C15 | C19 | H46 | 124.0° | 126.0° |
| C16 | N17 | N18 | 111.9° | 108.3° |
| C16 | N17 | C24 | 127.7° | 125.8° |
| N17 | C16 | H45 | 125.4° | 126.2° |
| N18 | N17 | C24 | 120.3° | 125.9° |
| N17 | N18 | C19 | 104.5° | 108.6° |
| N17 | C24 | C23 | 111.4° | 109.5° |
| N17 | C24 | H48 | 109.0° | 109.5° |
| N17 | C24 | H49 | 109.0° | 109.5° |
| N18 | C19 | H46 | 124.0° | 126.0° |
| C32 | C22 | C33 | 60.1° | 60.0° |
| C22 | C32 | C33 | 61.0° | 60.0° |
| C32 | C22 | H47 | 115.2° | 117.5° |
| C22 | C32 | H58 | 119.8° | 117.5° |
| C22 | C32 | H57 | 119.8° | 117.5° |
| C22 | C33 | C32 | 58.9° | 60.0° |
| C33 | C22 | H47 | 114.7° | 117.5° |
| C22 | C33 | H59 | 120.2° | 117.5° |
| C22 | C33 | H60 | 120.2° | 117.4° |
| C24 | C23 | O29 | 108.4° | 109.5° |
| C24 | C23 | C30 | 107.3° | 109.4° |
| C24 | C23 | C31 | 113.4° | 109.5° |
| C23 | C24 | H48 | 109.0° | 109.4° |
| C23 | C24 | H49 | 109.0° | 109.4° |
| O29 | C23 | C30 | 110.3° | 109.5° |
| O29 | C23 | C31 | 107.4° | 109.5° |
| C23 | O29 | H50 | 109.5° | 114.0° |
| C30 | C23 | C31 | 110.1° | 109.5° |
| C23 | C30 | H53 | 109.5° | 109.5° |
| C23 | C30 | H51 | 109.5° | 109.5° |
| C23 | C30 | H52 | 109.5° | 109.5° |
| C23 | C31 | H55 | 109.5° | 109.5° |
| C23 | C31 | H56 | 109.5° | 109.4° |
| C23 | C31 | H54 | 109.5° | 109.4° |
| F26 | C25 | F27 | 107.4° | 109.5° |
| F26 | C25 | F28 | 106.5° | 109.5° |
| F27 | C25 | F28 | 108.6° | 109.5° |
| C33 | C32 | H58 | 119.8° | 117.5° |
| C33 | C32 | H57 | 119.8° | 117.5° |
| C32 | C33 | H59 | 120.2° | 117.5° |
| C32 | C33 | H60 | 120.2° | 117.5° |
| H35 | C1 | H34 | 109.4° | 109.5° |
| H48 | C24 | H49 | 109.5° | 109.4° |
| H53 | C30 | H51 | 109.5° | 109.5° |
| H53 | C30 | H52 | 109.4° | 109.5° |
| H51 | C30 | H52 | 109.5° | 109.5° |
| H58 | C32 | H57 | 109.5° | 115.6° |
| H37 | C3 | H38 | 109.5° | 109.5° |
| H39 | C4 | H40 | 109.5° | 109.7° |
| H41 | C6 | H42 | 109.5° | 109.7° |
| H55 | C31 | H56 | 109.5° | 109.5° |
| H55 | C31 | H54 | 109.4° | 109.5° |
| H56 | C31 | H54 | 109.5° | 109.4° |
| H59 | C33 | H60 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H35 | 120.1° | 119.9° |
| C2 | C1 | C6 | H34 | 120.0° | 120.0° |
| C1 | C2 | C3 | N7 | 121.1° | 120.0° |
| C1 | C2 | C3 | H36 | 118.5° | 119.9° |
| C1 | C2 | N7 | H36 | 118.6° | 119.9° |
| C1 | C2 | C3 | C4 | 56.8° | 61.4° |
| C2 | C1 | C6 | N5 | 57.6° | 54.6° |
| C1 | C2 | N7 | C9 | 74.1° | 155.0° |
| C2 | C1 | H35 | H34 | 119.8° | 120.1° |
| C1 | C2 | C3 | H37 | 177.2° | 178.7° |
| C1 | C2 | C3 | H38 | 63.6° | 58.6° |
| C2 | C1 | C6 | H41 | 177.5° | 174.4° |
| C2 | C1 | C6 | H42 | 62.4° | 65.1° |
| C1 | C2 | N7 | H43 | 47.8° | 25.0° |
| C6 | C1 | C2 | C3 | 55.0° | 61.3° |
| C6 | C1 | C2 | N7 | 177.4° | 178.6° |
| C1 | C6 | N5 | C4 | 62.4° | 53.6° |
| C1 | C6 | N5 | H41 | 120.0° | 119.8° |
| C1 | C6 | N5 | H42 | 119.9° | 119.7° |
| C1 | C6 | N5 | S8 | 161.8° | 126.4° |
| C6 | C1 | H35 | H34 | 119.9° | 120.1° |
| C6 | C1 | C2 | H36 | 63.6° | 58.7° |
| C1 | C6 | H41 | H42 | 120.1° | 120.3° |
| C3 | C2 | N7 | H36 | 120.0° | 120.0° |
| C2 | C3 | C4 | H37 | 120.4° | 119.9° |
| C2 | C3 | C4 | H38 | 120.4° | 120.0° |
| C2 | C3 | C4 | N5 | 59.0° | 54.7° |
| C3 | C2 | N7 | C9 | 164.5° | 84.9° |
| C3 | C2 | C1 | H35 | 65.0° | 58.6° |
| C3 | C2 | C1 | H34 | 175.1° | 178.7° |
| C2 | C3 | H37 | H38 | 118.9° | 120.1° |
| C2 | C3 | C4 | H39 | 60.7° | 65.1° |
| C2 | C3 | C4 | H40 | 178.6° | 174.4° |
| C3 | C2 | N7 | H43 | 73.6° | 95.1° |
| N7 | C2 | C3 | C4 | 177.9° | 178.6° |
| C2 | N7 | C9 | H43 | 121.8° | 180.0° |
| C2 | N7 | C9 | N10 | 6.0° | 180.0° |
| C2 | N7 | C9 | N14 | 174.7° | 0.2° |
| N7 | C2 | C1 | H35 | 57.3° | 61.5° |
| N7 | C2 | C1 | H34 | 62.6° | 58.6° |
| N7 | C2 | C3 | H37 | 61.7° | 58.7° |
| N7 | C2 | C3 | H38 | 57.6° | 61.4° |
| C3 | C4 | N5 | H39 | 119.7° | 119.8° |
| C3 | C4 | N5 | H40 | 119.7° | 119.8° |
| C3 | C4 | N5 | C6 | 61.9° | 53.6° |
| C3 | C4 | N5 | S8 | 161.8° | 126.4° |
| C4 | C3 | C2 | H36 | 61.7° | 58.6° |
| C4 | C3 | H37 | H38 | 118.9° | 120.1° |
| C3 | C4 | H39 | H40 | 120.9° | 120.4° |
| C4 | N5 | C6 | S8 | 135.8° | 180.0° |
| C4 | N5 | S8 | O20 | 44.1° | 26.1° |
| C4 | N5 | S8 | O21 | 171.3° | 153.9° |
| C4 | N5 | S8 | C22 | 69.2° | 90.0° |
| N5 | C4 | C3 | H37 | 179.3° | 174.6° |
| N5 | C4 | C3 | H38 | 61.4° | 65.3° |
| N5 | C4 | H39 | H40 | 120.9° | 120.3° |
| C4 | N5 | C6 | H41 | 177.7° | 173.4° |
| C4 | N5 | C6 | H42 | 57.6° | 66.2° |
| C6 | N5 | S8 | O20 | 178.2° | 154.0° |
| C6 | N5 | S8 | O21 | 54.6° | 26.1° |
| C6 | N5 | S8 | C22 | 64.9° | 90.0° |
| N5 | C6 | C1 | H35 | 62.5° | 65.3° |
| N5 | C6 | C1 | H34 | 177.6° | 174.6° |
| C6 | N5 | C4 | H39 | 57.8° | 66.2° |
| C6 | N5 | C4 | H40 | 178.4° | 173.4° |
| N5 | C6 | H41 | H42 | 120.1° | 120.3° |
| N5 | S8 | O20 | O21 | 121.1° | 116.7° |
| N5 | S8 | O20 | C22 | 114.4° | 111.7° |
| N5 | S8 | O21 | C22 | 117.6° | 111.8° |
| N5 | S8 | C22 | C32 | 89.7° | 180.0° |
| N5 | S8 | C22 | C33 | 163.9° | 111.4° |
| N5 | S8 | C22 | H47 | 50.8° | 34.3° |
| S8 | N5 | C4 | H39 | 78.5° | 113.8° |
| S8 | N5 | C4 | H40 | 42.1° | 6.6° |
| S8 | N5 | C6 | H41 | 41.9° | 6.6° |
| S8 | N5 | C6 | H42 | 78.2° | 113.9° |
| N7 | C9 | N10 | N14 | 179.2° | 179.8° |
| N7 | C9 | N10 | C11 | 178.7° | 180.0° |
| N7 | C9 | N14 | C13 | 178.4° | 179.8° |
| C9 | N7 | C2 | H36 | 44.5° | 35.1° |
| O20 | S8 | O21 | C22 | 122.3° | 131.5° |
| O20 | S8 | C22 | C32 | 156.9° | 68.4° |
| O20 | S8 | C22 | C33 | 82.7° | 137.0° |
| O20 | S8 | C22 | H47 | 62.5° | 77.3° |
| O21 | S8 | C22 | C32 | 28.1° | 68.3° |
| O21 | S8 | C22 | C33 | 46.1° | 0.3° |
| O21 | S8 | C22 | H47 | 168.6° | 146.0° |
| S8 | C22 | C32 | C33 | 116.0° | 107.5° |
| S8 | C22 | C32 | H47 | 138.8° | 145.0° |
| S8 | C22 | C33 | H47 | 144.0° | 145.0° |
| S8 | C22 | C32 | H58 | 6.3° | 0.0° |
| S8 | C22 | C32 | H57 | 134.3° | 145.0° |
| S8 | C22 | C33 | H59 | 140.9° | 145.0° |
| S8 | C22 | C33 | H60 | 0.7° | 0.1° |
| C9 | N10 | C11 | C12 | 0.7° | 0.0° |
| C9 | N10 | C11 | C15 | 178.6° | 180.0° |
| N10 | C9 | N14 | C13 | 0.8° | 0.5° |
| N10 | C9 | N7 | H43 | 127.9° | 0.0° |
| N14 | C9 | N10 | C11 | 0.5° | 0.2° |
| C9 | N14 | C13 | C12 | 1.4° | 0.5° |
| N14 | C9 | N7 | H43 | 52.9° | 179.7° |
| C9 | N14 | C13 | H44 | 178.6° | 179.8° |
| N10 | C11 | C12 | C15 | 177.5° | 180.0° |
| N10 | C11 | C12 | C25 | 178.2° | 180.0° |
| N10 | C11 | C12 | C13 | 1.3° | 0.0° |
| N10 | C11 | C15 | C16 | 173.7° | 131.9° |
| N10 | C11 | C15 | C19 | 7.5° | 47.7° |
| C11 | C12 | C25 | C13 | 179.5° | 179.9° |
| C11 | C12 | C13 | N14 | 1.6° | 0.3° |
| C12 | C11 | C15 | C16 | 4.0° | 48.1° |
| C12 | C11 | C15 | C19 | 174.8° | 132.2° |
| C11 | C12 | C25 | F26 | 179.2° | 173.4° |
| C11 | C12 | C25 | F27 | 60.0° | 66.7° |
| C11 | C12 | C25 | F28 | 61.0° | 53.3° |
| C11 | C12 | C13 | H44 | 178.4° | 180.0° |
| C15 | C11 | C12 | C25 | 0.7° | 0.0° |
| C15 | C11 | C12 | C13 | 178.8° | 180.0° |
| C11 | C15 | C16 | C19 | 179.0° | 179.7° |
| C11 | C15 | C16 | N17 | 179.8° | 179.9° |
| C11 | C15 | C19 | N18 | 178.3° | 179.9° |
| C11 | C15 | C16 | H45 | 0.2° | 0.0° |
| C11 | C15 | C19 | H46 | 1.7° | 0.0° |
| C25 | C12 | C13 | N14 | 177.9° | 179.8° |
| C12 | C25 | F26 | F27 | 123.5° | 120.0° |
| C12 | C25 | F26 | F28 | 120.4° | 120.0° |
| C12 | C25 | F27 | F28 | 121.9° | 120.0° |
| C25 | C12 | C13 | H44 | 2.1° | 0.1° |
| C12 | C13 | N14 | H44 | 180.0° | 179.7° |
| C13 | C12 | C25 | F26 | 0.2° | 6.7° |
| C13 | C12 | C25 | F27 | 120.5° | 113.3° |
| C13 | C12 | C25 | F28 | 118.5° | 126.7° |
| C15 | C16 | N17 | H45 | 180.0° | 179.9° |
| C15 | C16 | N17 | N18 | 2.9° | 0.0° |
| C15 | C16 | N17 | C24 | 173.9° | 180.0° |
| C16 | C15 | C19 | N18 | 0.9° | 0.4° |
| C16 | C15 | C19 | H46 | 179.1° | 179.8° |
| C19 | C15 | C16 | N17 | 1.2° | 0.2° |
| C15 | C19 | N18 | N17 | 2.5° | 0.4° |
| C15 | C19 | N18 | H46 | 180.0° | 179.9° |
| C19 | C15 | C16 | H45 | 178.8° | 179.8° |
| C16 | N17 | N18 | C24 | 177.1° | 179.9° |
| C16 | N17 | N18 | C19 | 3.3° | 0.3° |
| C16 | N17 | C24 | C23 | 92.6° | 125.1° |
| C16 | N17 | C24 | H48 | 27.6° | 5.1° |
| C16 | N17 | C24 | H49 | 147.1° | 114.9° |
| N18 | N17 | C24 | C23 | 84.0° | 55.0° |
| N18 | N17 | C24 | H48 | 155.8° | 175.0° |
| N18 | N17 | C24 | H49 | 36.4° | 65.0° |
| N18 | N17 | C16 | H45 | 177.1° | 180.0° |
| N17 | N18 | C19 | H46 | 177.5° | 179.8° |
| C24 | N17 | N18 | C19 | 173.8° | 179.8° |
| N17 | C24 | C23 | H48 | 120.3° | 120.0° |
| N17 | C24 | C23 | H49 | 120.3° | 120.0° |
| N17 | C24 | C23 | O29 | 58.4° | 65.0° |
| N17 | C24 | C23 | C30 | 177.5° | 55.0° |
| N17 | C24 | C23 | C31 | 60.7° | 175.0° |
| N17 | C24 | H48 | H49 | 119.1° | 120.1° |
| C24 | N17 | C16 | H45 | 6.1° | 0.1° |
| C32 | C22 | C33 | H47 | 106.1° | 107.5° |
| C22 | C32 | C33 | H58 | 109.7° | 107.5° |
| C22 | C32 | C33 | H57 | 109.7° | 107.5° |
| C22 | C32 | H58 | H57 | 144.2° | 145.6° |
| C32 | C22 | C33 | H59 | 109.2° | 107.6° |
| C32 | C22 | C33 | H60 | 109.2° | 107.5° |
| C22 | C33 | H59 | H60 | 145.3° | 145.6° |
| C24 | C23 | O29 | C30 | 117.2° | 119.9° |
| C24 | C23 | O29 | C31 | 122.8° | 120.0° |
| C24 | C23 | C30 | C31 | 123.9° | 120.0° |
| C23 | C24 | H48 | H49 | 119.2° | 119.9° |
| C24 | C23 | C30 | H53 | 180.0° | 60.0° |
| C24 | C23 | C30 | H51 | 60.0° | 180.0° |
| C24 | C23 | C30 | H52 | 60.0° | 60.0° |
| C24 | C23 | O29 | H50 | 180.0° | 60.0° |
| C24 | C23 | C31 | H55 | 180.0° | 60.0° |
| C24 | C23 | C31 | H56 | 60.0° | 180.0° |
| C24 | C23 | C31 | H54 | 60.0° | 60.1° |
| O29 | C23 | C30 | C31 | 118.3° | 120.0° |
| O29 | C23 | C24 | H48 | 61.9° | 175.0° |
| O29 | C23 | C24 | H49 | 178.6° | 55.1° |
| O29 | C23 | C30 | H53 | 62.2° | 60.0° |
| O29 | C23 | C30 | H51 | 57.9° | 60.0° |
| O29 | C23 | C30 | H52 | 177.9° | 180.0° |
| O29 | C23 | C31 | H55 | 60.3° | 180.0° |
| O29 | C23 | C31 | H56 | 179.7° | 59.9° |
| O29 | C23 | C31 | H54 | 59.7° | 60.0° |
| C30 | C23 | C24 | H48 | 57.2° | 65.0° |
| C30 | C23 | C24 | H49 | 62.3° | 175.0° |
| C23 | C30 | H53 | H51 | 120.0° | 120.0° |
| C23 | C30 | H53 | H52 | 120.0° | 120.0° |
| C23 | C30 | H51 | H52 | 120.0° | 120.0° |
| C30 | C23 | O29 | H50 | 62.8° | 180.0° |
| C30 | C23 | C31 | H55 | 59.8° | 60.0° |
| C30 | C23 | C31 | H56 | 60.2° | 60.1° |
| C30 | C23 | C31 | H54 | 179.8° | 180.0° |
| C31 | C23 | C24 | H48 | 179.0° | 54.9° |
| C31 | C23 | C24 | H49 | 59.5° | 65.0° |
| C31 | C23 | C30 | H53 | 56.1° | 180.0° |
| C31 | C23 | C30 | H51 | 176.2° | 60.0° |
| C31 | C23 | C30 | H52 | 63.8° | 60.0° |
| C31 | C23 | O29 | H50 | 57.2° | 60.0° |
| C23 | C31 | H55 | H56 | 120.0° | 120.0° |
| C23 | C31 | H55 | H54 | 120.0° | 120.0° |
| C23 | C31 | H56 | H54 | 120.0° | 119.9° |
| F26 | C25 | F27 | F28 | 114.7° | 120.1° |
| C33 | C32 | H58 | H57 | 144.2° | 145.7° |
| C32 | C33 | H59 | H60 | 145.3° | 145.8° |
| H35 | C1 | C2 | H36 | 176.4° | 178.6° |
| H35 | C1 | C6 | H41 | 57.5° | 54.5° |
| H35 | C1 | C6 | H42 | 177.6° | 174.9° |
| H34 | C1 | C2 | H36 | 56.5° | 61.3° |
| H34 | C1 | C6 | H41 | 62.4° | 65.6° |
| H34 | C1 | C6 | H42 | 57.7° | 54.9° |
| H36 | C2 | C3 | H37 | 58.6° | 61.3° |
| H36 | C2 | C3 | H38 | 177.9° | 178.5° |
| H36 | C2 | N7 | H43 | 166.4° | 144.9° |
| H47 | C22 | C32 | H58 | 145.1° | 145.0° |
| H47 | C22 | C32 | H57 | 4.6° | 0.0° |
| H47 | C22 | C33 | H59 | 3.1° | 0.1° |
| H47 | C22 | C33 | H60 | 144.7° | 145.0° |
| H53 | C30 | H51 | H52 | 120.0° | 120.0° |
| H58 | C32 | C33 | H59 | 141.1° | 145.1° |
| H58 | C32 | C33 | H60 | 0.6° | 0.0° |
| H57 | C32 | C33 | H59 | 0.5° | 0.0° |
| H57 | C32 | C33 | H60 | 141.1° | 145.1° |
| H37 | C3 | C4 | H39 | 59.6° | 54.8° |
| H37 | C3 | C4 | H40 | 61.0° | 65.7° |
| H38 | C3 | C4 | H39 | 178.9° | 174.9° |
| H38 | C3 | C4 | H40 | 58.3° | 54.4° |
| H55 | C31 | H56 | H54 | 120.0° | 120.0° |
