XOE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C34 | sing | 1.51Å | 1.52Å | |
| S30 | C31 | sing | 1.81Å | 1.82Å | |
| O32 | S30 | doub | 1.42Å | 1.48Å | |
| O33 | S30 | doub | 1.42Å | 1.47Å | |
| N9 | S30 | sing | 1.66Å | 1.66Å | |
| C8 | N9 | sing | 1.40Å | 1.43Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| F1 | C4 | sing | 1.35Å | 1.37Å | |
| C4 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| F2 | C3 | sing | 1.35Å | 1.35Å | |
| C3 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| O10 | C5 | sing | 1.36Å | 1.39Å | |
| C11 | O10 | sing | 1.36Å | 1.39Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N16 | C15 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.48Å | 1.42Å | |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N20 | C19 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | N20 | sing | 1.32Å | 1.33Å | Aromatic |
| N22 | C21 | doub | 1.32Å | 1.33Å | Aromatic |
| N23 | C21 | sing | 1.38Å | 1.45Å | |
| C24 | N23 | sing | 1.46Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.48Å | |
| C26 | C25 | sing | 1.53Å | 1.47Å | |
| N28 | C27 | sing | 1.47Å | 1.50Å | |
| C29 | N28 | sing | 1.47Å | 1.49Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| F41 | C26 | sing | 1.40Å | 1.37Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| F40 | C7 | sing | 1.35Å | 1.36Å | |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C4 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | N16 | sing | 1.32Å | 1.32Å | Aromatic |
| C17 | N22 | sing | 1.33Å | 1.33Å | Aromatic |
| C24 | C29 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 1.01Å | 1.00Å | |
| N9 | H91 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 119.9° | 120.0° |
| C36 | C37 | C38 | 120.3° | 120.0° |
| C37 | C36 | H361 | 120.1° | 120.0° |
| C36 | C37 | H371 | 119.8° | 120.0° |
| C36 | C35 | C34 | 119.4° | 120.0° |
| C36 | C35 | H351 | 120.3° | 120.1° |
| C35 | C36 | H361 | 120.1° | 120.0° |
| C35 | C34 | C39 | 121.4° | 120.0° |
| C35 | C34 | C31 | 118.6° | 120.0° |
| C34 | C35 | H351 | 120.3° | 119.9° |
| C38 | C39 | C34 | 118.5° | 120.0° |
| C39 | C38 | C37 | 120.6° | 120.0° |
| C39 | C38 | H381 | 119.7° | 120.0° |
| C38 | C39 | H391 | 120.7° | 120.0° |
| C39 | C34 | C31 | 120.0° | 120.0° |
| C34 | C39 | H391 | 120.8° | 120.0° |
| C34 | C31 | S30 | 103.8° | 109.5° |
| C34 | C31 | H311 | 110.9° | 109.5° |
| C34 | C31 | H312 | 110.9° | 109.5° |
| C31 | S30 | O32 | 113.7° | 110.5° |
| C31 | S30 | O33 | 113.7° | 110.5° |
| C31 | S30 | N9 | 105.5° | 104.4° |
| S30 | C31 | H311 | 110.9° | 109.4° |
| S30 | C31 | H312 | 110.9° | 109.5° |
| O32 | S30 | O33 | 107.6° | 121.0° |
| O32 | S30 | N9 | 109.8° | 104.3° |
| O33 | S30 | N9 | 106.2° | 104.3° |
| S30 | N9 | C8 | 125.8° | 120.0° |
| S30 | N9 | H91 | 105.2° | 120.0° |
| N9 | C8 | C7 | 131.5° | 120.0° |
| N9 | C8 | C4 | 106.7° | 120.0° |
| C8 | N9 | H91 | 105.3° | 120.0° |
| C8 | C7 | C6 | 118.2° | 120.0° |
| C8 | C7 | F40 | 124.3° | 120.0° |
| C7 | C8 | C4 | 121.8° | 119.9° |
| C6 | C5 | C3 | 120.9° | 120.0° |
| C6 | C5 | O10 | 127.1° | 120.0° |
| C5 | C6 | C7 | 118.9° | 120.0° |
| C5 | C6 | H61 | 120.5° | 120.0° |
| F1 | C4 | C3 | 121.6° | 120.1° |
| F1 | C4 | C8 | 118.5° | 120.0° |
| C4 | C3 | F2 | 119.0° | 120.0° |
| C4 | C3 | C5 | 120.3° | 120.0° |
| C3 | C4 | C8 | 119.9° | 119.9° |
| F2 | C3 | C5 | 120.7° | 120.0° |
| C3 | C5 | O10 | 112.0° | 120.0° |
| C5 | O10 | C11 | 123.6° | 118.0° |
| O10 | C11 | C12 | 117.4° | 119.8° |
| O10 | C11 | N16 | 119.9° | 119.8° |
| C11 | C12 | C13 | 117.7° | 118.9° |
| C11 | C12 | C17 | 123.6° | 120.5° |
| C12 | C11 | N16 | 122.6° | 120.4° |
| C13 | C14 | C15 | 120.5° | 119.4° |
| C14 | C13 | C12 | 118.2° | 118.4° |
| C14 | C13 | H131 | 120.9° | 120.8° |
| C13 | C14 | H141 | 119.7° | 120.3° |
| C14 | C15 | N16 | 120.3° | 121.1° |
| C14 | C15 | H151 | 119.9° | 119.4° |
| C15 | C14 | H141 | 119.7° | 120.3° |
| C15 | N16 | C11 | 120.6° | 121.8° |
| N16 | C15 | H151 | 119.9° | 119.5° |
| C13 | C12 | C17 | 118.6° | 120.6° |
| C12 | C13 | H131 | 120.9° | 120.8° |
| C12 | C17 | C18 | 123.3° | 120.5° |
| C12 | C17 | N22 | 119.4° | 120.5° |
| C17 | C18 | C19 | 120.2° | 118.4° |
| C18 | C17 | N22 | 117.3° | 119.0° |
| C17 | C18 | H181 | 119.9° | 120.7° |
| C18 | C19 | N20 | 118.8° | 119.3° |
| C19 | C18 | H181 | 119.9° | 120.8° |
| C18 | C19 | H191 | 120.6° | 120.3° |
| C19 | N20 | C21 | 120.2° | 121.0° |
| N20 | C19 | H191 | 120.6° | 120.3° |
| N20 | C21 | N22 | 122.4° | 121.7° |
| N20 | C21 | N23 | 117.5° | 119.2° |
| N22 | C21 | N23 | 120.0° | 119.1° |
| C21 | N22 | C17 | 121.1° | 120.6° |
| C21 | N23 | C24 | 123.0° | 120.0° |
| C21 | N23 | H231 | 106.0° | 120.0° |
| N23 | C24 | C25 | 108.0° | 109.5° |
| N23 | C24 | C29 | 111.4° | 109.5° |
| N23 | C24 | H241 | 109.3° | 109.5° |
| C24 | N23 | H231 | 106.0° | 120.1° |
| C24 | C25 | C26 | 107.2° | 109.2° |
| C25 | C24 | C29 | 111.2° | 109.2° |
| C25 | C24 | H241 | 108.7° | 109.5° |
| C24 | C25 | H251 | 110.0° | 109.5° |
| C24 | C25 | H252 | 110.0° | 109.6° |
| C25 | C26 | C27 | 114.3° | 109.3° |
| C25 | C26 | F41 | 104.6° | 109.5° |
| C25 | C26 | H261 | 110.1° | 109.5° |
| C26 | C25 | H251 | 110.0° | 109.5° |
| C26 | C25 | H252 | 110.1° | 109.5° |
| C27 | N28 | C29 | 117.4° | 111.2° |
| N28 | C27 | C26 | 116.8° | 109.5° |
| N28 | C27 | H272 | 107.6° | 109.5° |
| N28 | C27 | H271 | 107.6° | 109.4° |
| C27 | N28 | H281 | 107.5° | 111.0° |
| N28 | C29 | C24 | 114.1° | 109.5° |
| N28 | C29 | H291 | 108.3° | 109.5° |
| N28 | C29 | H292 | 108.3° | 109.5° |
| C29 | N28 | H281 | 107.4° | 111.0° |
| C27 | C26 | F41 | 106.7° | 109.5° |
| C27 | C26 | H261 | 109.4° | 109.5° |
| C26 | C27 | H272 | 107.6° | 109.5° |
| C26 | C27 | H271 | 107.6° | 109.5° |
| F41 | C26 | H261 | 111.6° | 109.5° |
| C6 | C7 | F40 | 117.5° | 120.0° |
| C7 | C6 | H61 | 120.6° | 120.0° |
| C38 | C37 | H371 | 119.9° | 120.1° |
| C37 | C38 | H381 | 119.7° | 120.0° |
| C29 | C24 | H241 | 108.2° | 109.6° |
| C24 | C29 | H291 | 108.3° | 109.5° |
| C24 | C29 | H292 | 108.3° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H361 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.8° | 0.1° |
| C36 | C37 | C38 | C39 | 0.6° | 0.2° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C37 | C36 | C35 | H351 | 179.2° | 180.0° |
| C36 | C37 | C38 | H381 | 179.4° | 180.0° |
| C36 | C35 | C34 | H351 | 180.0° | 179.9° |
| C36 | C35 | C34 | C39 | 0.8° | 0.3° |
| C36 | C35 | C34 | C31 | 178.7° | 180.0° |
| C35 | C36 | C37 | C38 | 0.7° | 0.0° |
| C35 | C36 | C37 | H371 | 179.3° | 180.0° |
| C35 | C34 | C39 | C38 | 0.7° | 0.5° |
| C35 | C34 | C39 | C31 | 177.9° | 179.7° |
| C35 | C34 | C31 | S30 | 66.7° | 90.0° |
| C35 | C34 | C31 | H311 | 52.4° | 150.0° |
| C35 | C34 | C31 | H312 | 174.2° | 29.9° |
| C34 | C35 | C36 | H361 | 179.2° | 179.9° |
| C35 | C34 | C39 | H391 | 179.3° | 179.9° |
| C38 | C39 | C34 | H391 | 180.0° | 179.6° |
| C38 | C39 | C34 | C31 | 178.5° | 179.8° |
| C39 | C38 | C37 | H381 | 180.0° | 179.8° |
| C39 | C38 | C37 | H371 | 179.4° | 179.8° |
| C39 | C34 | C31 | S30 | 111.2° | 90.3° |
| C34 | C39 | C38 | C37 | 0.6° | 0.5° |
| C39 | C34 | C31 | H311 | 129.7° | 29.7° |
| C39 | C34 | C31 | H312 | 7.9° | 149.7° |
| C39 | C34 | C35 | H351 | 179.3° | 179.8° |
| C34 | C39 | C38 | H381 | 179.4° | 179.7° |
| C34 | C31 | S30 | H311 | 119.1° | 120.0° |
| C34 | C31 | S30 | H312 | 119.1° | 120.0° |
| C34 | C31 | S30 | O32 | 140.1° | 73.3° |
| C34 | C31 | S30 | O33 | 16.4° | 63.4° |
| C34 | C31 | S30 | N9 | 99.5° | 175.0° |
| C34 | C31 | H311 | H312 | 122.6° | 120.0° |
| C31 | C34 | C35 | H351 | 1.4° | 0.1° |
| C31 | C34 | C39 | H391 | 1.5° | 0.2° |
| C31 | S30 | O32 | O33 | 126.8° | 131.5° |
| C31 | S30 | O32 | N9 | 118.0° | 111.7° |
| C31 | S30 | O33 | N9 | 115.6° | 111.7° |
| C31 | S30 | N9 | C8 | 174.6° | 62.0° |
| S30 | C31 | H311 | H312 | 122.7° | 120.0° |
| C31 | S30 | N9 | H91 | 63.3° | 118.1° |
| O32 | S30 | O33 | N9 | 117.5° | 116.8° |
| O32 | S30 | N9 | C8 | 51.6° | 54.1° |
| O32 | S30 | C31 | H311 | 100.8° | 166.7° |
| O32 | S30 | C31 | H312 | 21.0° | 46.7° |
| O32 | S30 | N9 | H91 | 173.7° | 125.9° |
| O33 | S30 | N9 | C8 | 64.5° | 178.0° |
| O33 | S30 | C31 | H311 | 135.6° | 56.6° |
| O33 | S30 | C31 | H312 | 102.6° | 176.6° |
| O33 | S30 | N9 | H91 | 57.7° | 2.0° |
| S30 | N9 | C8 | H91 | 122.2° | 180.0° |
| S30 | N9 | C8 | C7 | 10.9° | 60.6° |
| S30 | N9 | C8 | C4 | 169.8° | 119.5° |
| N9 | S30 | C31 | H311 | 19.6° | 55.0° |
| N9 | S30 | C31 | H312 | 141.4° | 65.0° |
| N9 | C8 | C7 | C4 | 179.2° | 180.0° |
| N9 | C8 | C4 | F1 | 1.3° | 0.2° |
| N9 | C8 | C4 | C3 | 179.3° | 180.0° |
| N9 | C8 | C7 | C6 | 179.2° | 180.0° |
| N9 | C8 | C7 | F40 | 0.2° | 0.0° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C8 | C4 | F1 | 179.3° | 179.7° |
| C7 | C8 | C4 | C3 | 0.1° | 0.1° |
| C8 | C7 | C6 | F40 | 179.4° | 180.0° |
| C8 | C7 | C6 | H61 | 179.6° | 180.0° |
| C7 | C8 | N9 | H91 | 111.3° | 119.4° |
| C6 | C5 | C3 | C4 | 0.8° | 0.0° |
| C6 | C5 | C3 | F2 | 179.2° | 180.0° |
| C6 | C5 | C3 | O10 | 177.7° | 180.0° |
| C6 | C5 | O10 | C11 | 28.7° | 99.3° |
| C5 | C6 | C7 | H61 | 180.0° | 180.0° |
| C5 | C6 | C7 | F40 | 179.0° | 180.0° |
| F1 | C4 | C3 | C8 | 179.4° | 179.8° |
| F1 | C4 | C3 | F2 | 0.3° | 0.2° |
| F1 | C4 | C3 | C5 | 179.7° | 179.8° |
| C4 | C3 | F2 | C5 | 180.0° | 180.0° |
| C4 | C3 | C5 | O10 | 178.5° | 180.0° |
| F2 | C3 | C5 | O10 | 1.5° | 0.0° |
| F2 | C3 | C4 | C8 | 179.7° | 180.0° |
| C3 | C5 | O10 | C11 | 153.7° | 80.7° |
| C3 | C5 | C6 | C7 | 0.8° | 0.0° |
| C5 | C3 | C4 | C8 | 0.3° | 0.0° |
| C3 | C5 | C6 | H61 | 179.2° | 180.0° |
| C5 | O10 | C11 | C12 | 143.8° | 175.4° |
| O10 | C5 | C6 | C7 | 178.1° | 180.0° |
| C5 | O10 | C11 | N16 | 39.3° | 5.2° |
| O10 | C5 | C6 | H61 | 1.9° | 0.0° |
| O10 | C11 | C12 | N16 | 176.7° | 179.4° |
| O10 | C11 | N16 | C15 | 178.8° | 180.0° |
| O10 | C11 | C12 | C13 | 178.6° | 180.0° |
| O10 | C11 | C12 | C17 | 2.7° | 0.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.3° |
| C12 | C11 | N16 | C15 | 2.1° | 0.6° |
| C11 | C12 | C13 | C17 | 178.7° | 180.0° |
| C11 | C12 | C17 | C18 | 21.3° | 179.7° |
| C11 | C12 | C17 | N22 | 161.1° | 0.0° |
| C11 | C12 | C13 | H131 | 179.4° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 0.2° | 0.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 179.3° | 179.7° |
| C13 | C14 | C15 | H151 | 179.8° | 180.0° |
| C14 | C15 | N16 | H151 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C14 | C15 | N16 | C11 | 1.0° | 0.3° |
| C15 | C14 | C13 | H131 | 179.6° | 179.8° |
| N16 | C15 | C14 | H141 | 179.7° | 180.0° |
| C13 | C12 | C17 | C18 | 157.4° | 0.3° |
| C13 | C12 | C11 | N16 | 1.9° | 0.6° |
| C13 | C12 | C17 | N22 | 20.3° | 180.0° |
| C12 | C13 | C14 | H141 | 179.6° | 180.0° |
| C12 | C17 | C18 | N22 | 177.7° | 179.7° |
| C12 | C17 | C18 | C19 | 179.0° | 180.0° |
| C12 | C17 | N22 | C21 | 180.0° | 179.8° |
| C17 | C12 | C11 | N16 | 179.5° | 179.4° |
| C17 | C12 | C13 | H131 | 0.7° | 0.0° |
| C12 | C17 | C18 | H181 | 1.0° | 0.1° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | N20 | 0.4° | 0.1° |
| C18 | C17 | N22 | C21 | 2.2° | 0.5° |
| C17 | C18 | C19 | H191 | 179.6° | 180.0° |
| C18 | C19 | N20 | H191 | 180.0° | 179.9° |
| C18 | C19 | N20 | C21 | 1.1° | 0.1° |
| C19 | C18 | C17 | N22 | 1.3° | 0.3° |
| C19 | N20 | C21 | N22 | 0.2° | 0.3° |
| C19 | N20 | C21 | N23 | 178.7° | 180.0° |
| N20 | C19 | C18 | H181 | 179.6° | 180.0° |
| N20 | C21 | N22 | N23 | 178.9° | 179.7° |
| N20 | C21 | N23 | C24 | 173.6° | 0.0° |
| N20 | C21 | N22 | C17 | 1.6° | 0.5° |
| C21 | N20 | C19 | H191 | 178.8° | 180.0° |
| N20 | C21 | N23 | H231 | 64.6° | 180.0° |
| N22 | C21 | N23 | C24 | 5.4° | 179.7° |
| N22 | C21 | N23 | H231 | 116.5° | 0.2° |
| C21 | N23 | C24 | H231 | 121.9° | 180.0° |
| C21 | N23 | C24 | C25 | 171.0° | 155.2° |
| N23 | C21 | N22 | C17 | 179.5° | 179.7° |
| C21 | N23 | C24 | C29 | 66.6° | 85.0° |
| C21 | N23 | C24 | H241 | 52.9° | 35.1° |
| N23 | C24 | C25 | C29 | 122.5° | 119.9° |
| N23 | C24 | C25 | H241 | 118.5° | 120.1° |
| N23 | C24 | C25 | C26 | 171.7° | 177.6° |
| N23 | C24 | C29 | N28 | 172.3° | 179.1° |
| N23 | C24 | C29 | H241 | 120.2° | 120.2° |
| N23 | C24 | C25 | H251 | 52.1° | 62.5° |
| N23 | C24 | C25 | H252 | 68.6° | 57.7° |
| N23 | C24 | C29 | H291 | 67.0° | 59.0° |
| N23 | C24 | C29 | H292 | 51.6° | 60.9° |
| C24 | C25 | C26 | H251 | 119.7° | 119.9° |
| C24 | C25 | C26 | H252 | 119.6° | 120.0° |
| C25 | C24 | C29 | N28 | 51.7° | 59.2° |
| C24 | C25 | C26 | C27 | 57.8° | 57.7° |
| C24 | C25 | C26 | F41 | 58.6° | 62.3° |
| C25 | C24 | C29 | H241 | 119.3° | 120.0° |
| C24 | C25 | C26 | H261 | 178.6° | 177.6° |
| C24 | C25 | H251 | H252 | 121.0° | 120.2° |
| C25 | C24 | C29 | H291 | 172.4° | 60.8° |
| C25 | C24 | C29 | H292 | 68.9° | 179.2° |
| C25 | C24 | N23 | H231 | 49.2° | 24.7° |
| C25 | C26 | C27 | N28 | 36.1° | 59.1° |
| C25 | C26 | C27 | F41 | 115.1° | 120.0° |
| C25 | C26 | C27 | H261 | 124.0° | 120.0° |
| C25 | C26 | F41 | H261 | 119.0° | 120.1° |
| C26 | C25 | C24 | C29 | 65.7° | 57.7° |
| C26 | C25 | C24 | H241 | 53.2° | 62.3° |
| C26 | C25 | H251 | H252 | 121.1° | 120.1° |
| C25 | C26 | C27 | H272 | 85.0° | 179.2° |
| C25 | C26 | C27 | H271 | 157.1° | 60.8° |
| C27 | N28 | C29 | H281 | 121.1° | 124.1° |
| N28 | C27 | C26 | H272 | 121.0° | 120.1° |
| N28 | C27 | C26 | H271 | 121.0° | 120.0° |
| N28 | C27 | C26 | F41 | 79.0° | 60.8° |
| C27 | N28 | C29 | C24 | 28.3° | 61.7° |
| N28 | C27 | C26 | H261 | 160.0° | 179.1° |
| N28 | C27 | H272 | H271 | 116.7° | 119.9° |
| C27 | N28 | C29 | H291 | 149.0° | 58.3° |
| C27 | N28 | C29 | H292 | 92.4° | 178.2° |
| C29 | N28 | C27 | C26 | 20.6° | 61.7° |
| N28 | C29 | C24 | H291 | 120.7° | 120.0° |
| N28 | C29 | C24 | H292 | 120.7° | 120.0° |
| N28 | C29 | C24 | H241 | 67.5° | 60.8° |
| C29 | N28 | C27 | H272 | 100.5° | 178.2° |
| C29 | N28 | C27 | H271 | 141.7° | 58.3° |
| N28 | C29 | H291 | H292 | 117.9° | 120.0° |
| C27 | C26 | F41 | H261 | 119.5° | 120.1° |
| C27 | C26 | C25 | H251 | 177.5° | 177.6° |
| C27 | C26 | C25 | H252 | 61.8° | 62.3° |
| C26 | C27 | H272 | H271 | 116.7° | 120.0° |
| C26 | C27 | N28 | H281 | 100.5° | 62.4° |
| F41 | C26 | C25 | H251 | 61.1° | 57.6° |
| F41 | C26 | C25 | H252 | 178.2° | 177.7° |
| F41 | C26 | C27 | H272 | 159.9° | 59.2° |
| F41 | C26 | C27 | H271 | 42.0° | 179.2° |
| C6 | C7 | C8 | C4 | 0.1° | 0.0° |
| F40 | C7 | C8 | C4 | 179.4° | 179.9° |
| F40 | C7 | C6 | H61 | 0.9° | 0.1° |
| C38 | C37 | C36 | H361 | 179.3° | 180.0° |
| C37 | C38 | C39 | H391 | 179.4° | 180.0° |
| C4 | C8 | N9 | H91 | 68.0° | 60.6° |
| C11 | N16 | C15 | H151 | 179.0° | 179.7° |
| N22 | C17 | C18 | H181 | 178.7° | 179.8° |
| C29 | C24 | C25 | H251 | 174.6° | 177.6° |
| C29 | C24 | C25 | H252 | 53.9° | 62.2° |
| C24 | C29 | H291 | H292 | 117.9° | 120.0° |
| C29 | C24 | N23 | H231 | 171.6° | 95.0° |
| C24 | C29 | N28 | H281 | 92.9° | 62.4° |
| H131 | C13 | C14 | H141 | 0.4° | 0.2° |
| H151 | C15 | C14 | H141 | 0.3° | 0.0° |
| H241 | C24 | C25 | H251 | 66.4° | 57.6° |
| H241 | C24 | C25 | H252 | 172.9° | 177.8° |
| H241 | C24 | C29 | H291 | 53.2° | 179.2° |
| H241 | C24 | C29 | H292 | 171.8° | 59.2° |
| H241 | C24 | N23 | H231 | 69.0° | 144.8° |
| H261 | C26 | C25 | H251 | 58.9° | 62.4° |
| H261 | C26 | C25 | H252 | 61.8° | 57.7° |
| H261 | C26 | C27 | H272 | 39.0° | 60.8° |
| H261 | C26 | C27 | H271 | 78.9° | 59.1° |
| H181 | C18 | C19 | H191 | 0.4° | 0.1° |
| H272 | C27 | N28 | H281 | 138.4° | 57.7° |
| H271 | C27 | N28 | H281 | 20.5° | 177.6° |
| H291 | C29 | N28 | H281 | 27.8° | 177.6° |
| H292 | C29 | N28 | H281 | 146.4° | 57.6° |
| H351 | C35 | C36 | H361 | 0.8° | 0.0° |
| H361 | C36 | C37 | H371 | 0.7° | 0.0° |
| H371 | C37 | C38 | H381 | 0.6° | 0.0° |
| H381 | C38 | C39 | H391 | 0.6° | 0.1° |
