XNI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.50Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C34 | sing | 1.53Å | 1.54Å | |
| C2 | C35 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.52Å | 1.51Å | |
| C4 | C5 | doub | 1.34Å | 1.37Å | |
| C4 | N7 | sing | 1.36Å | 1.39Å | |
| C5 | C6 | sing | 1.42Å | 1.48Å | |
| C5 | C11 | sing | 1.51Å | 1.53Å | |
| C6 | O33 | doub | 1.22Å | 1.20Å | |
| C8 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.39Å | 1.41Å | |
| N10 | C11 | sing | 1.45Å | 1.46Å | |
| N10 | C17 | sing | 1.35Å | 1.40Å | |
| N10 | C9 | sing | 1.40Å | 1.42Å | |
| C11 | C16 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.51Å | 1.51Å | |
| C17 | O18 | doub | 1.21Å | 1.22Å | |
| C21 | CL36 | sing | 1.74Å | 1.71Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| O25 | C22 | sing | 1.36Å | 1.36Å | |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| C27 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 113.5° | 108.6° |
| C1 | C2 | C3 | 108.3° | 107.7° |
| C1 | C2 | C34 | 109.6° | 109.8° |
| C1 | C2 | C35 | 111.1° | 109.8° |
| C2 | C1 | H1 | 108.1° | 109.6° |
| C2 | C1 | H1A | 107.3° | 109.6° |
| C1 | C6 | C5 | 122.1° | 122.3° |
| C1 | C6 | O33 | 117.9° | 118.9° |
| C6 | C1 | H1 | 108.2° | 109.6° |
| C6 | C1 | H1A | 107.3° | 109.6° |
| C3 | C2 | C34 | 110.3° | 109.8° |
| C3 | C2 | C35 | 107.0° | 109.8° |
| C2 | C3 | C4 | 117.4° | 109.9° |
| C2 | C3 | H3 | 106.9° | 109.4° |
| C2 | C3 | H3A | 105.1° | 109.4° |
| C34 | C2 | C35 | 110.6° | 109.9° |
| C2 | C34 | H34 | 109.5° | 109.5° |
| C2 | C34 | H34A | 109.5° | 109.4° |
| C2 | C34 | H34B | 109.4° | 109.5° |
| C2 | C35 | H35 | 109.5° | 109.5° |
| C2 | C35 | H35A | 109.4° | 109.4° |
| C2 | C35 | H35B | 109.5° | 109.5° |
| C3 | C4 | C5 | 120.6° | 120.4° |
| C3 | C4 | N7 | 109.8° | 114.7° |
| C4 | C3 | H3 | 106.9° | 109.5° |
| C4 | C3 | H3A | 105.1° | 109.4° |
| C5 | C4 | N7 | 129.6° | 124.9° |
| C4 | C5 | C6 | 118.3° | 120.3° |
| C4 | C5 | C11 | 123.9° | 125.9° |
| C4 | N7 | C8 | 131.7° | 124.8° |
| C4 | N7 | HN7 | 114.2° | 117.6° |
| C6 | C5 | C11 | 117.7° | 113.8° |
| C5 | C6 | O33 | 120.0° | 118.8° |
| C5 | C11 | N10 | 104.9° | 114.5° |
| C5 | C11 | C16 | 117.1° | 108.5° |
| C5 | C11 | H11 | 108.0° | 108.4° |
| C12 | C8 | C9 | 120.0° | 120.5° |
| C12 | C8 | N7 | 118.4° | 122.2° |
| C8 | C12 | C13 | 120.5° | 119.3° |
| C8 | C12 | H12 | 119.8° | 120.4° |
| C9 | C8 | N7 | 121.5° | 117.2° |
| C8 | C9 | N10 | 118.4° | 118.4° |
| C8 | C9 | C15 | 119.5° | 120.1° |
| C8 | N7 | HN7 | 114.1° | 117.6° |
| C11 | N10 | C17 | 119.5° | 119.4° |
| C11 | N10 | C9 | 118.5° | 121.1° |
| N10 | C11 | C16 | 110.8° | 108.5° |
| N10 | C11 | H11 | 114.6° | 108.5° |
| C17 | N10 | C9 | 121.7° | 119.5° |
| N10 | C17 | C19 | 121.5° | 120.0° |
| N10 | C17 | O18 | 119.2° | 120.0° |
| N10 | C9 | C15 | 122.1° | 121.5° |
| C11 | C16 | C24 | 120.8° | 119.9° |
| C11 | C16 | C20 | 119.6° | 119.9° |
| C16 | C11 | H11 | 101.8° | 108.3° |
| C12 | C13 | C14 | 120.0° | 120.3° |
| C13 | C12 | H12 | 119.7° | 120.3° |
| C12 | C13 | H13 | 120.0° | 119.8° |
| C9 | C15 | C14 | 120.8° | 119.4° |
| C9 | C15 | H15 | 119.6° | 120.3° |
| C15 | C14 | C13 | 119.2° | 120.4° |
| C14 | C15 | H15 | 119.6° | 120.3° |
| C15 | C14 | H14 | 120.4° | 119.8° |
| C24 | C16 | C20 | 119.5° | 120.1° |
| C16 | C24 | C23 | 120.4° | 120.0° |
| C16 | C24 | H24 | 119.8° | 120.0° |
| C16 | C20 | C21 | 119.7° | 120.0° |
| C16 | C20 | H20 | 120.2° | 120.0° |
| C19 | C17 | O18 | 119.3° | 120.0° |
| C17 | C19 | H19 | 109.5° | 109.5° |
| C17 | C19 | H19A | 109.5° | 109.4° |
| C17 | C19 | H19B | 109.5° | 109.5° |
| CL36 | C21 | C20 | 121.3° | 120.0° |
| CL36 | C21 | C22 | 118.2° | 120.1° |
| C20 | C21 | C22 | 120.5° | 119.9° |
| C21 | C20 | H20 | 120.2° | 120.0° |
| C21 | C22 | C23 | 119.8° | 119.9° |
| C21 | C22 | O25 | 119.3° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C24 | C23 | H23 | 120.0° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C23 | C22 | O25 | 120.9° | 120.1° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C22 | O25 | C26 | 120.6° | 117.0° |
| O25 | C26 | C27 | 110.8° | 109.5° |
| O25 | C26 | H26 | 109.0° | 109.4° |
| O25 | C26 | H26A | 108.7° | 109.5° |
| C32 | C27 | C26 | 119.2° | 120.0° |
| C32 | C27 | C28 | 119.9° | 120.0° |
| C27 | C32 | C31 | 120.5° | 120.0° |
| C27 | C32 | H32 | 119.8° | 120.0° |
| C26 | C27 | C28 | 120.9° | 120.0° |
| C27 | C26 | H26 | 109.0° | 109.5° |
| C27 | C26 | H26A | 108.7° | 109.5° |
| C27 | C28 | C29 | 119.7° | 120.1° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C31 | C30 | C29 | 120.6° | 120.0° |
| C30 | C31 | C32 | 119.4° | 120.0° |
| C31 | C30 | H30 | 119.7° | 120.0° |
| C30 | C31 | H31 | 120.3° | 120.0° |
| C30 | C29 | C28 | 119.8° | 120.0° |
| C29 | C30 | H30 | 119.7° | 120.0° |
| C30 | C29 | H29 | 120.1° | 120.0° |
| C32 | C31 | H31 | 120.3° | 120.0° |
| C31 | C32 | H32 | 119.7° | 120.0° |
| C28 | C29 | H29 | 120.1° | 120.1° |
| C29 | C28 | H28 | 120.1° | 119.9° |
| C13 | C14 | H14 | 120.4° | 119.7° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| H1 | C1 | H1A | 112.6° | 109.8° |
| H3 | C3 | H3A | 115.9° | 109.3° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.4° |
| H26 | C26 | H26A | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 120.0° | 119.7° |
| C2 | C1 | C6 | H1A | 118.3° | 119.7° |
| C1 | C2 | C3 | C34 | 119.9° | 119.5° |
| C1 | C2 | C3 | C35 | 119.8° | 119.5° |
| C1 | C2 | C34 | C35 | 122.8° | 120.8° |
| C1 | C2 | C3 | C4 | 48.3° | 59.9° |
| C2 | C1 | C6 | C5 | 27.8° | 27.6° |
| C2 | C1 | C6 | O33 | 150.8° | 152.5° |
| C2 | C1 | H1 | H1A | 118.4° | 120.4° |
| C1 | C2 | C3 | H3 | 71.7° | 180.0° |
| C1 | C2 | C3 | H3A | 164.6° | 60.3° |
| C1 | C2 | C34 | H34 | 62.6° | 60.0° |
| C1 | C2 | C34 | H34A | 57.4° | 180.0° |
| C1 | C2 | C34 | H34B | 177.4° | 60.0° |
| C1 | C2 | C35 | H35 | 143.8° | 60.0° |
| C1 | C2 | C35 | H35A | 23.8° | 179.9° |
| C1 | C2 | C35 | H35B | 96.2° | 60.0° |
| C6 | C1 | C2 | C3 | 46.8° | 56.6° |
| C6 | C1 | C2 | C34 | 167.2° | 62.9° |
| C6 | C1 | C2 | C35 | 70.4° | 176.2° |
| C1 | C6 | C5 | C4 | 4.7° | 1.3° |
| C1 | C6 | C5 | O33 | 178.5° | 180.0° |
| C1 | C6 | C5 | C11 | 178.9° | 178.6° |
| C6 | C1 | H1 | H1A | 118.4° | 120.4° |
| C3 | C2 | C34 | C35 | 118.1° | 120.9° |
| C2 | C3 | C4 | H3 | 120.0° | 120.1° |
| C2 | C3 | C4 | H3A | 116.3° | 120.1° |
| C2 | C3 | C4 | C5 | 27.9° | 32.6° |
| C2 | C3 | C4 | N7 | 155.1° | 147.6° |
| C3 | C2 | C1 | H1 | 166.8° | 63.1° |
| C3 | C2 | C1 | H1A | 71.5° | 176.3° |
| C2 | C3 | H3 | H3A | 116.8° | 119.7° |
| C3 | C2 | C34 | H34 | 56.5° | 178.3° |
| C3 | C2 | C34 | H34A | 176.5° | 61.7° |
| C3 | C2 | C34 | H34B | 63.4° | 58.2° |
| C3 | C2 | C35 | H35 | 98.3° | 58.3° |
| C3 | C2 | C35 | H35A | 141.7° | 61.8° |
| C3 | C2 | C35 | H35B | 21.7° | 178.3° |
| C34 | C2 | C3 | C4 | 168.2° | 59.7° |
| C34 | C2 | C1 | H1 | 72.8° | 177.3° |
| C34 | C2 | C1 | H1A | 48.9° | 56.8° |
| C34 | C2 | C3 | H3 | 48.2° | 60.5° |
| C34 | C2 | C3 | H3A | 75.5° | 179.8° |
| C2 | C34 | H34 | H34A | 120.0° | 119.9° |
| C2 | C34 | H34 | H34B | 120.0° | 120.0° |
| C2 | C34 | H34A | H34B | 120.0° | 120.0° |
| C34 | C2 | C35 | H35 | 21.9° | 179.2° |
| C34 | C2 | C35 | H35A | 98.1° | 59.1° |
| C34 | C2 | C35 | H35B | 141.9° | 60.8° |
| C35 | C2 | C3 | C4 | 71.5° | 179.4° |
| C35 | C2 | C1 | H1 | 49.6° | 56.4° |
| C35 | C2 | C1 | H1A | 171.4° | 64.1° |
| C35 | C2 | C3 | H3 | 168.5° | 60.4° |
| C35 | C2 | C3 | H3A | 44.8° | 59.3° |
| C35 | C2 | C34 | H34 | 174.6° | 60.8° |
| C35 | C2 | C34 | H34A | 65.3° | 59.2° |
| C35 | C2 | C34 | H34B | 54.7° | 179.1° |
| C2 | C35 | H35 | H35A | 120.0° | 120.0° |
| C2 | C35 | H35 | H35B | 120.0° | 120.0° |
| C2 | C35 | H35A | H35B | 120.0° | 120.0° |
| C3 | C4 | C5 | N7 | 176.2° | 179.8° |
| C3 | C4 | C5 | C6 | 4.1° | 1.2° |
| C3 | C4 | C5 | C11 | 179.7° | 179.0° |
| C3 | C4 | N7 | C8 | 175.4° | 133.0° |
| C4 | C3 | H3 | H3A | 116.7° | 119.8° |
| C3 | C4 | N7 | HN7 | 4.6° | 47.0° |
| C4 | C5 | C6 | C11 | 176.4° | 179.9° |
| C4 | C5 | C6 | O33 | 173.8° | 178.7° |
| C5 | C4 | N7 | C8 | 8.0° | 46.7° |
| C4 | C5 | C11 | N10 | 39.4° | 11.7° |
| C4 | C5 | C11 | C16 | 84.0° | 109.6° |
| C5 | C4 | C3 | H3 | 92.0° | 152.7° |
| C5 | C4 | C3 | H3A | 144.3° | 87.5° |
| C4 | C5 | C11 | H11 | 162.0° | 133.0° |
| C5 | C4 | N7 | HN7 | 172.0° | 133.2° |
| N7 | C4 | C5 | C6 | 179.7° | 179.1° |
| N7 | C4 | C5 | C11 | 3.5° | 0.8° |
| C4 | N7 | C8 | C12 | 151.1° | 117.8° |
| C4 | N7 | C8 | C9 | 24.8° | 65.3° |
| C4 | N7 | C8 | HN7 | 180.0° | 180.0° |
| N7 | C4 | C3 | H3 | 84.9° | 27.5° |
| N7 | C4 | C3 | H3A | 38.8° | 92.3° |
| C6 | C5 | C11 | N10 | 144.4° | 168.2° |
| C6 | C5 | C11 | C16 | 92.3° | 70.5° |
| C5 | C6 | C1 | H1 | 147.8° | 92.2° |
| C5 | C6 | C1 | H1A | 90.5° | 147.3° |
| C6 | C5 | C11 | H11 | 21.8° | 46.9° |
| C11 | C5 | C6 | O33 | 2.6° | 1.4° |
| C5 | C11 | N10 | C16 | 127.3° | 121.3° |
| C5 | C11 | N10 | H11 | 118.3° | 121.3° |
| C5 | C11 | N10 | C17 | 86.1° | 115.4° |
| C5 | C11 | N10 | C9 | 88.1° | 64.6° |
| C5 | C11 | C16 | H11 | 117.4° | 117.5° |
| C5 | C11 | C16 | C24 | 23.1° | 63.5° |
| C5 | C11 | C16 | C20 | 156.5° | 116.2° |
| O33 | C6 | C1 | H1 | 30.8° | 87.8° |
| O33 | C6 | C1 | H1A | 91.0° | 32.7° |
| C12 | C8 | C9 | N7 | 175.8° | 176.9° |
| C12 | C8 | C9 | N10 | 178.6° | 176.5° |
| C8 | C12 | C13 | H12 | 180.0° | 180.0° |
| C12 | C8 | C9 | C15 | 0.4° | 2.4° |
| C8 | C12 | C13 | C14 | 0.4° | 0.0° |
| C8 | C12 | C13 | H13 | 179.6° | 180.0° |
| C12 | C8 | N7 | HN7 | 28.9° | 62.2° |
| C8 | C9 | N10 | C11 | 73.1° | 64.5° |
| C8 | C9 | N10 | C17 | 100.9° | 115.5° |
| C8 | C9 | N10 | C15 | 178.2° | 178.8° |
| C9 | C8 | C12 | C13 | 0.0° | 1.6° |
| C8 | C9 | C15 | C14 | 0.3° | 1.6° |
| C9 | C8 | C12 | H12 | 180.0° | 178.4° |
| C8 | C9 | C15 | H15 | 179.7° | 178.5° |
| C9 | C8 | N7 | HN7 | 155.2° | 114.6° |
| N7 | C8 | C9 | N10 | 5.5° | 6.6° |
| N7 | C8 | C12 | C13 | 176.0° | 175.2° |
| N7 | C8 | C9 | C15 | 176.2° | 174.6° |
| N7 | C8 | C12 | H12 | 4.0° | 4.8° |
| C11 | N10 | C17 | C9 | 174.0° | 180.0° |
| N10 | C11 | C16 | H11 | 122.3° | 117.6° |
| C11 | N10 | C9 | C15 | 108.7° | 114.3° |
| N10 | C11 | C16 | C24 | 97.2° | 61.4° |
| N10 | C11 | C16 | C20 | 83.3° | 118.9° |
| C11 | N10 | C17 | C19 | 177.3° | 180.0° |
| C11 | N10 | C17 | O18 | 4.3° | 0.0° |
| C17 | N10 | C11 | C16 | 146.7° | 123.3° |
| C17 | N10 | C9 | C15 | 77.3° | 65.7° |
| N10 | C17 | C19 | O18 | 178.4° | 180.0° |
| C17 | N10 | C11 | H11 | 32.2° | 5.9° |
| N10 | C17 | C19 | H19 | 7.9° | 60.0° |
| N10 | C17 | C19 | H19A | 112.1° | 180.0° |
| N10 | C17 | C19 | H19B | 127.9° | 60.0° |
| C9 | N10 | C11 | C16 | 39.1° | 56.7° |
| N10 | C9 | C15 | C14 | 178.5° | 177.2° |
| C9 | N10 | C17 | C19 | 3.3° | 0.0° |
| C9 | N10 | C17 | O18 | 178.3° | 180.0° |
| C9 | N10 | C11 | H11 | 153.6° | 174.1° |
| N10 | C9 | C15 | H15 | 1.5° | 2.7° |
| C11 | C16 | C24 | C20 | 179.5° | 179.7° |
| C11 | C16 | C20 | C21 | 180.0° | 179.9° |
| C11 | C16 | C24 | C23 | 179.9° | 180.0° |
| C11 | C16 | C24 | H24 | 0.1° | 0.0° |
| C11 | C16 | C20 | H20 | 0.0° | 0.1° |
| C12 | C13 | C14 | C15 | 0.5° | 0.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.5° | 179.2° |
| C9 | C15 | C14 | H15 | 180.0° | 180.0° |
| C9 | C15 | C14 | C13 | 0.2° | 0.1° |
| C9 | C15 | C14 | H14 | 179.8° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | H13 | 179.5° | 179.2° |
| C24 | C16 | C20 | C21 | 0.5° | 0.3° |
| C16 | C24 | C23 | H24 | 180.0° | 180.0° |
| C16 | C24 | C23 | C22 | 0.2° | 0.1° |
| C24 | C16 | C11 | H11 | 140.5° | 179.0° |
| C16 | C24 | C23 | H23 | 179.8° | 180.0° |
| C24 | C16 | C20 | H20 | 179.5° | 179.8° |
| C16 | C20 | C21 | CL36 | 179.3° | 180.0° |
| C16 | C20 | C21 | H20 | 180.0° | 180.0° |
| C16 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C16 | C24 | C23 | 0.6° | 0.3° |
| C20 | C16 | C11 | H11 | 39.0° | 1.3° |
| C20 | C16 | C24 | H24 | 179.4° | 179.7° |
| C17 | C19 | H19 | H19A | 120.0° | 120.0° |
| C17 | C19 | H19 | H19B | 120.0° | 120.0° |
| C17 | C19 | H19A | H19B | 120.0° | 120.0° |
| O18 | C17 | C19 | H19 | 173.8° | 120.0° |
| O18 | C17 | C19 | H19A | 66.3° | 0.0° |
| O18 | C17 | C19 | H19B | 53.7° | 120.0° |
| CL36 | C21 | C20 | C22 | 179.2° | 180.0° |
| CL36 | C21 | C22 | C23 | 179.0° | 179.7° |
| CL36 | C21 | C22 | O25 | 1.7° | 0.0° |
| CL36 | C21 | C20 | H20 | 0.7° | 0.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.3° |
| C20 | C21 | C22 | O25 | 179.1° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C21 | C22 | C23 | O25 | 179.3° | 179.7° |
| C21 | C22 | O25 | C26 | 165.5° | 180.0° |
| C21 | C22 | C23 | H23 | 179.9° | 179.7° |
| C22 | C21 | C20 | H20 | 179.9° | 180.0° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | O25 | 179.2° | 179.9° |
| C23 | C22 | O25 | C26 | 15.2° | 0.2° |
| C22 | C23 | C24 | H24 | 179.7° | 179.9° |
| C22 | O25 | C26 | C27 | 68.5° | 180.0° |
| O25 | C22 | C23 | H23 | 0.8° | 0.0° |
| C22 | O25 | C26 | H26 | 171.5° | 60.0° |
| C22 | O25 | C26 | H26A | 51.0° | 60.0° |
| O25 | C26 | C27 | C32 | 31.6° | 90.0° |
| O25 | C26 | C27 | H26 | 120.0° | 120.0° |
| O25 | C26 | C27 | H26A | 119.4° | 120.0° |
| O25 | C26 | C27 | C28 | 148.3° | 89.7° |
| O25 | C26 | H26 | H26A | 119.5° | 120.0° |
| C32 | C27 | C26 | C28 | 179.9° | 179.7° |
| C27 | C32 | C31 | C30 | 0.5° | 0.0° |
| C27 | C32 | C31 | H32 | 180.0° | 180.0° |
| C32 | C27 | C28 | C29 | 0.1° | 0.0° |
| C27 | C32 | C31 | H31 | 179.4° | 179.4° |
| C32 | C27 | C26 | H26 | 88.4° | 30.0° |
| C32 | C27 | C26 | H26A | 151.0° | 150.0° |
| C32 | C27 | C28 | H28 | 179.8° | 180.0° |
| C26 | C27 | C32 | C31 | 179.7° | 180.0° |
| C26 | C27 | C28 | C29 | 180.0° | 179.7° |
| C26 | C27 | C32 | H32 | 0.2° | 0.0° |
| C27 | C26 | H26 | H26A | 119.5° | 120.0° |
| C26 | C27 | C28 | H28 | 0.0° | 0.3° |
| C27 | C28 | C29 | C30 | 0.1° | 0.6° |
| C28 | C27 | C32 | C31 | 0.4° | 0.3° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C32 | H32 | 179.7° | 179.7° |
| C28 | C27 | C26 | H26 | 91.7° | 150.3° |
| C28 | C27 | C26 | H26A | 28.8° | 30.3° |
| C27 | C28 | C29 | H29 | 179.9° | 179.7° |
| C31 | C30 | C29 | H30 | 180.0° | 179.4° |
| C30 | C31 | C32 | H31 | 180.0° | 179.4° |
| C31 | C30 | C29 | C28 | 0.3° | 0.9° |
| C30 | C31 | C32 | H32 | 179.5° | 180.0° |
| C31 | C30 | C29 | H29 | 179.7° | 180.0° |
| C29 | C30 | C31 | C32 | 0.5° | 0.6° |
| C30 | C29 | C28 | H29 | 180.0° | 179.1° |
| C29 | C30 | C31 | H31 | 179.5° | 180.0° |
| C30 | C29 | C28 | H28 | 179.9° | 179.4° |
| C32 | C31 | C30 | H30 | 179.5° | 180.0° |
| C28 | C29 | C30 | H30 | 179.7° | 179.7° |
| C14 | C13 | C12 | H12 | 179.6° | 180.0° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.1° |
| H15 | C15 | C14 | H14 | 0.2° | 0.1° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H23 | C23 | C24 | H24 | 0.3° | 0.0° |
| H30 | C30 | C31 | H31 | 0.5° | 0.6° |
| H30 | C30 | C29 | H29 | 0.3° | 0.6° |
| H31 | C31 | C32 | H32 | 0.5° | 0.6° |
| H34 | C34 | H34A | H34B | 120.0° | 120.1° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H29 | C29 | C28 | H28 | 0.1° | 0.3° |
| H14 | C14 | C13 | H13 | 0.5° | 0.9° |
