NSI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O52 | S48 | doub | 1.42Å | 1.41Å | |
| S48 | O50 | doub | 1.42Å | 1.42Å | |
| S48 | C51 | sing | 1.76Å | 1.63Å | |
| S48 | N17 | sing | 1.66Å | 1.54Å | |
| C51 | C55 | doub | 1.38Å | 1.41Å | Aromatic |
| C51 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.40Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | C53 | doub | 1.38Å | 1.41Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C53 | C57 | sing | 1.38Å | 1.40Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C57 | C54 | doub | 1.38Å | 1.40Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| N17 | C15 | sing | 1.35Å | 1.32Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C15 | C13 | sing | 1.47Å | 1.49Å | |
| C13 | N10 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| N10 | C12 | sing | 1.47Å | 1.47Å | |
| N10 | C6 | sing | 1.37Å | 1.33Å | Aromatic |
| C12 | C34 | sing | 1.51Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C34 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C36 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | C43 | sing | 1.51Å | 1.51Å | |
| C39 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | F47 | sing | 1.40Å | 1.29Å | |
| C43 | F46 | sing | 1.40Å | 1.28Å | |
| C43 | F45 | sing | 1.40Å | 1.27Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C1 | sing | 1.37Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | C3 | sing | 1.47Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.48Å | 1.43Å | Aromatic |
| C14 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | O27 | sing | 1.36Å | 1.39Å | |
| O27 | C28 | sing | 1.43Å | 1.42Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O52 | S48 | O50 | 107.7° | 125.3° |
| O52 | S48 | C51 | 105.4° | 105.8° |
| O52 | S48 | N17 | 115.3° | 105.8° |
| O50 | S48 | C51 | 112.3° | 105.8° |
| O50 | S48 | N17 | 113.9° | 105.8° |
| C51 | S48 | N17 | 101.9° | 107.4° |
| S48 | C51 | C55 | 120.6° | 120.0° |
| S48 | C51 | C54 | 121.2° | 120.0° |
| S48 | N17 | C15 | 124.9° | 120.0° |
| S48 | N17 | HN17 | 117.5° | 120.0° |
| C55 | C51 | C54 | 118.3° | 120.0° |
| C51 | C55 | C56 | 119.8° | 120.0° |
| C51 | C55 | H55 | 120.1° | 120.0° |
| C51 | C54 | C57 | 122.3° | 120.0° |
| C51 | C54 | H54 | 118.8° | 120.0° |
| C56 | C55 | H55 | 120.1° | 120.0° |
| C55 | C56 | C53 | 121.5° | 119.9° |
| C55 | C56 | H56 | 119.3° | 120.0° |
| C53 | C56 | H56 | 119.3° | 120.0° |
| C56 | C53 | C57 | 118.8° | 120.1° |
| C56 | C53 | H53 | 120.6° | 120.0° |
| C57 | C53 | H53 | 120.6° | 119.9° |
| C53 | C57 | C54 | 119.4° | 119.9° |
| C53 | C57 | H57 | 120.3° | 120.0° |
| C54 | C57 | H57 | 120.3° | 120.0° |
| C57 | C54 | H54 | 118.8° | 120.0° |
| C15 | N17 | HN17 | 117.6° | 120.0° |
| N17 | C15 | O16 | 120.5° | 120.0° |
| N17 | C15 | C13 | 116.5° | 120.0° |
| O16 | C15 | C13 | 118.1° | 120.0° |
| C15 | C13 | N10 | 125.4° | 125.5° |
| C15 | C13 | C7 | 123.4° | 125.5° |
| N10 | C13 | C7 | 110.9° | 109.0° |
| C13 | N10 | C12 | 124.4° | 124.9° |
| C13 | N10 | C6 | 108.9° | 110.1° |
| C13 | C7 | C3 | 103.1° | 106.4° |
| C13 | C7 | C14 | 128.3° | 126.7° |
| C12 | N10 | C6 | 126.7° | 124.9° |
| N10 | C12 | C34 | 110.4° | 109.5° |
| N10 | C12 | H121 | 109.0° | 109.5° |
| N10 | C12 | H122 | 109.1° | 109.4° |
| N10 | C6 | C2 | 131.7° | 132.8° |
| N10 | C6 | C3 | 107.5° | 108.0° |
| C34 | C12 | H121 | 108.9° | 109.5° |
| C34 | C12 | H122 | 109.2° | 109.5° |
| C12 | C34 | C37 | 123.0° | 120.0° |
| C12 | C34 | C36 | 116.9° | 120.0° |
| H121 | C12 | H122 | 110.2° | 109.5° |
| C37 | C34 | C36 | 120.1° | 120.0° |
| C34 | C37 | C38 | 119.9° | 120.0° |
| C34 | C37 | H37 | 120.1° | 120.0° |
| C34 | C36 | C39 | 120.1° | 120.0° |
| C34 | C36 | H36 | 120.0° | 120.0° |
| C38 | C37 | H37 | 120.1° | 120.0° |
| C37 | C38 | C35 | 119.5° | 120.0° |
| C37 | C38 | H38 | 120.2° | 120.0° |
| C35 | C38 | H38 | 120.3° | 120.0° |
| C38 | C35 | C39 | 120.5° | 120.0° |
| C38 | C35 | H35 | 119.7° | 120.0° |
| C39 | C36 | H36 | 119.9° | 120.0° |
| C36 | C39 | C43 | 119.3° | 120.0° |
| C36 | C39 | C35 | 119.8° | 120.0° |
| C43 | C39 | C35 | 120.8° | 120.0° |
| C39 | C43 | F47 | 115.9° | 109.5° |
| C39 | C43 | F46 | 110.2° | 109.5° |
| C39 | C43 | F45 | 111.3° | 109.5° |
| C39 | C35 | H35 | 119.7° | 120.0° |
| F47 | C43 | F46 | 104.0° | 109.5° |
| F47 | C43 | F45 | 109.2° | 109.5° |
| F46 | C43 | F45 | 105.5° | 109.4° |
| C2 | C6 | C3 | 120.7° | 119.2° |
| C6 | C2 | C5 | 120.4° | 119.8° |
| C6 | C2 | H2 | 119.8° | 120.1° |
| C6 | C3 | C1 | 119.2° | 120.0° |
| C6 | C3 | C7 | 109.6° | 106.5° |
| C5 | C2 | H2 | 119.8° | 120.1° |
| C2 | C5 | C4 | 118.8° | 120.7° |
| C2 | C5 | H5 | 120.6° | 119.6° |
| C4 | C5 | H5 | 120.6° | 119.7° |
| C5 | C4 | C1 | 121.5° | 120.6° |
| C5 | C4 | H4 | 119.2° | 119.7° |
| C1 | C4 | H4 | 119.3° | 119.7° |
| C4 | C1 | C3 | 119.3° | 119.8° |
| C4 | C1 | H1 | 120.3° | 120.1° |
| C3 | C1 | H1 | 120.3° | 120.1° |
| C1 | C3 | C7 | 131.0° | 133.5° |
| C3 | C7 | C14 | 128.6° | 126.8° |
| C7 | C14 | C20 | 117.6° | 120.1° |
| C7 | C14 | C19 | 124.9° | 120.1° |
| C20 | C14 | C19 | 117.2° | 119.9° |
| C14 | C20 | C21 | 122.1° | 119.9° |
| C14 | C20 | H20 | 119.0° | 120.1° |
| C14 | C19 | C22 | 121.2° | 119.9° |
| C14 | C19 | H19 | 119.4° | 120.1° |
| C21 | C20 | H20 | 119.0° | 120.0° |
| C20 | C21 | C18 | 121.3° | 120.1° |
| C20 | C21 | H21 | 119.4° | 120.0° |
| C18 | C21 | H21 | 119.3° | 120.0° |
| C21 | C18 | C22 | 118.7° | 120.2° |
| C21 | C18 | O27 | 117.4° | 119.9° |
| C22 | C19 | H19 | 119.4° | 120.0° |
| C19 | C22 | C18 | 119.4° | 120.1° |
| C19 | C22 | H22 | 120.3° | 119.9° |
| C18 | C22 | H22 | 120.3° | 120.0° |
| C22 | C18 | O27 | 123.9° | 119.9° |
| C18 | O27 | C28 | 117.0° | 106.8° |
| O27 | C28 | H281 | 109.5° | 109.5° |
| O27 | C28 | H282 | 109.4° | 109.5° |
| O27 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O52 | S48 | O50 | C51 | 115.6° | 123.1° |
| O52 | S48 | O50 | N17 | 129.2° | 123.1° |
| O52 | S48 | C51 | N17 | 120.8° | 112.6° |
| O52 | S48 | C51 | C55 | 31.3° | 157.4° |
| O52 | S48 | C51 | C54 | 149.8° | 22.3° |
| O52 | S48 | N17 | C15 | 84.0° | 47.7° |
| O52 | S48 | N17 | HN17 | 96.0° | 132.4° |
| O50 | S48 | C51 | N17 | 122.3° | 112.6° |
| O50 | S48 | C51 | C55 | 148.2° | 22.6° |
| O50 | S48 | C51 | C54 | 32.8° | 157.1° |
| O50 | S48 | N17 | C15 | 41.2° | 177.6° |
| O50 | S48 | N17 | HN17 | 138.8° | 2.3° |
| S48 | C51 | C55 | C54 | 179.0° | 179.8° |
| S48 | C51 | C55 | C56 | 179.9° | 180.0° |
| S48 | C51 | C55 | H55 | 0.1° | 0.0° |
| S48 | C51 | C54 | C57 | 179.7° | 179.8° |
| S48 | C51 | C54 | H54 | 0.4° | 0.2° |
| C51 | S48 | N17 | C15 | 162.4° | 65.0° |
| C51 | S48 | N17 | HN17 | 17.6° | 115.0° |
| N17 | S48 | C51 | C55 | 89.5° | 90.0° |
| N17 | S48 | C51 | C54 | 89.5° | 90.3° |
| S48 | N17 | C15 | HN17 | 180.0° | 179.9° |
| S48 | N17 | C15 | O16 | 38.2° | 4.4° |
| S48 | N17 | C15 | C13 | 167.2° | 175.5° |
| C51 | C55 | C56 | H55 | 180.0° | 180.0° |
| C51 | C55 | C56 | C53 | 0.4° | 0.0° |
| C51 | C55 | C56 | H56 | 179.6° | 180.0° |
| C55 | C51 | C54 | C57 | 0.7° | 0.4° |
| C55 | C51 | C54 | H54 | 179.3° | 180.0° |
| C54 | C51 | C55 | C56 | 0.9° | 0.2° |
| C54 | C51 | C55 | H55 | 179.0° | 179.7° |
| C51 | C54 | C57 | C53 | 0.2° | 0.4° |
| C51 | C54 | C57 | H54 | 180.0° | 179.5° |
| C51 | C54 | C57 | H57 | 179.8° | 179.7° |
| C55 | C56 | C53 | H56 | 180.0° | 180.0° |
| C55 | C56 | C53 | C57 | 0.5° | 0.1° |
| C55 | C56 | C53 | H53 | 179.5° | 179.9° |
| H55 | C55 | C56 | C53 | 179.6° | 180.0° |
| H55 | C55 | C56 | H56 | 0.4° | 0.0° |
| C56 | C53 | C57 | H53 | 180.0° | 180.0° |
| C56 | C53 | C57 | C54 | 0.7° | 0.1° |
| C56 | C53 | C57 | H57 | 179.3° | 179.9° |
| H56 | C56 | C53 | C57 | 179.5° | 180.0° |
| H56 | C56 | C53 | H53 | 0.4° | 0.0° |
| C53 | C57 | C54 | H57 | 180.0° | 179.9° |
| C53 | C57 | C54 | H54 | 179.8° | 179.9° |
| H53 | C53 | C57 | C54 | 179.3° | 179.9° |
| H53 | C53 | C57 | H57 | 0.7° | 0.1° |
| H57 | C57 | C54 | H54 | 0.2° | 0.1° |
| N17 | C15 | O16 | C13 | 154.2° | 180.0° |
| N17 | C15 | C13 | N10 | 137.1° | 81.9° |
| N17 | C15 | C13 | C7 | 50.3° | 97.7° |
| HN17 | N17 | C15 | O16 | 141.8° | 175.5° |
| HN17 | N17 | C15 | C13 | 12.8° | 4.5° |
| O16 | C15 | C13 | N10 | 18.1° | 98.1° |
| O16 | C15 | C13 | C7 | 154.4° | 82.3° |
| C15 | C13 | N10 | C7 | 173.3° | 179.6° |
| C15 | C13 | N10 | C12 | 7.8° | 0.3° |
| C15 | C13 | N10 | C6 | 174.6° | 180.0° |
| C15 | C13 | C7 | C3 | 174.8° | 180.0° |
| C15 | C13 | C7 | C14 | 3.4° | 0.3° |
| C13 | N10 | C12 | C6 | 177.3° | 179.7° |
| C13 | N10 | C12 | C34 | 101.4° | 91.1° |
| C13 | N10 | C12 | H121 | 139.0° | 28.9° |
| C13 | N10 | C12 | H122 | 18.6° | 148.9° |
| C13 | N10 | C6 | C2 | 178.3° | 179.7° |
| C13 | N10 | C6 | C3 | 0.5° | 0.2° |
| N10 | C13 | C7 | C3 | 1.3° | 0.4° |
| N10 | C13 | C7 | C14 | 176.9° | 179.9° |
| C7 | C13 | N10 | C12 | 178.9° | 179.9° |
| C7 | C13 | N10 | C6 | 1.2° | 0.4° |
| C13 | C7 | C3 | C6 | 1.0° | 0.2° |
| C13 | C7 | C3 | C1 | 175.9° | 179.7° |
| C13 | C7 | C3 | C14 | 178.2° | 179.8° |
| C13 | C7 | C14 | C20 | 119.0° | 115.3° |
| C13 | C7 | C14 | C19 | 66.8° | 64.7° |
| N10 | C12 | C34 | H121 | 119.6° | 120.0° |
| N10 | C12 | C34 | H122 | 120.0° | 120.0° |
| N10 | C12 | H121 | H122 | 119.7° | 120.0° |
| N10 | C12 | C34 | C37 | 2.2° | 93.4° |
| N10 | C12 | C34 | C36 | 175.6° | 86.9° |
| C12 | N10 | C6 | C2 | 4.1° | 0.1° |
| C12 | N10 | C6 | C3 | 178.1° | 180.0° |
| C6 | N10 | C12 | C34 | 75.9° | 88.6° |
| C6 | N10 | C12 | H121 | 43.8° | 151.4° |
| C6 | N10 | C12 | H122 | 164.2° | 31.4° |
| N10 | C6 | C2 | C3 | 177.5° | 179.9° |
| N10 | C6 | C2 | C5 | 177.8° | 179.9° |
| N10 | C6 | C2 | H2 | 2.2° | 0.1° |
| N10 | C6 | C3 | C1 | 175.9° | 180.0° |
| N10 | C6 | C3 | C7 | 0.3° | 0.0° |
| C34 | C12 | H121 | H122 | 119.8° | 120.0° |
| C12 | C34 | C37 | C36 | 177.7° | 179.8° |
| C12 | C34 | C37 | C38 | 178.6° | 180.0° |
| C12 | C34 | C37 | H37 | 1.4° | 0.0° |
| C12 | C34 | C36 | C39 | 179.6° | 179.7° |
| C12 | C34 | C36 | H36 | 0.4° | 0.2° |
| H121 | C12 | C34 | C37 | 121.8° | 26.7° |
| H121 | C12 | C34 | C36 | 55.9° | 153.1° |
| H122 | C12 | C34 | C37 | 117.8° | 146.7° |
| H122 | C12 | C34 | C36 | 64.5° | 33.1° |
| C34 | C37 | C38 | H37 | 180.0° | 180.0° |
| C34 | C37 | C38 | C35 | 1.7° | 0.0° |
| C34 | C37 | C38 | H38 | 178.3° | 179.9° |
| C37 | C34 | C36 | C39 | 2.6° | 0.5° |
| C37 | C34 | C36 | H36 | 177.4° | 180.0° |
| C36 | C34 | C37 | C38 | 0.9° | 0.2° |
| C36 | C34 | C37 | H37 | 179.1° | 179.8° |
| C34 | C36 | C39 | H36 | 180.0° | 179.5° |
| C34 | C36 | C39 | C43 | 180.0° | 179.7° |
| C34 | C36 | C39 | C35 | 1.5° | 0.5° |
| C37 | C38 | C35 | H38 | 180.0° | 179.9° |
| C37 | C38 | C35 | C39 | 2.7° | 0.0° |
| C37 | C38 | C35 | H35 | 177.3° | 179.9° |
| H37 | C37 | C38 | C35 | 178.3° | 180.0° |
| H37 | C37 | C38 | H38 | 1.7° | 0.1° |
| C38 | C35 | C39 | C36 | 1.1° | 0.2° |
| C38 | C35 | C39 | C43 | 177.3° | 180.0° |
| C38 | C35 | C39 | H35 | 180.0° | 180.0° |
| H38 | C38 | C35 | C39 | 177.3° | 179.9° |
| H38 | C38 | C35 | H35 | 2.7° | 0.1° |
| C36 | C39 | C43 | C35 | 178.5° | 179.8° |
| C36 | C39 | C43 | F47 | 36.9° | 179.8° |
| C36 | C39 | C43 | F46 | 80.9° | 59.8° |
| C36 | C39 | C43 | F45 | 162.4° | 60.2° |
| C36 | C39 | C35 | H35 | 178.9° | 179.8° |
| H36 | C36 | C39 | C43 | 0.0° | 0.2° |
| H36 | C36 | C39 | C35 | 178.5° | 180.0° |
| C39 | C43 | F47 | F46 | 121.1° | 120.0° |
| C39 | C43 | F47 | F45 | 126.6° | 120.0° |
| C39 | C43 | F46 | F45 | 120.3° | 120.0° |
| C43 | C39 | C35 | H35 | 2.6° | 0.0° |
| C35 | C39 | C43 | F47 | 144.7° | 0.0° |
| C35 | C39 | C43 | F46 | 97.6° | 120.0° |
| C35 | C39 | C43 | F45 | 19.1° | 120.0° |
| F47 | C43 | F46 | F45 | 114.9° | 120.0° |
| C6 | C2 | C5 | H2 | 180.0° | 180.0° |
| C6 | C2 | C5 | C4 | 1.7° | 0.0° |
| C6 | C2 | C5 | H5 | 178.3° | 179.9° |
| C2 | C6 | C3 | C1 | 2.1° | 0.0° |
| C2 | C6 | C3 | C7 | 177.7° | 179.9° |
| C3 | C6 | C2 | C5 | 0.3° | 0.0° |
| C3 | C6 | C2 | H2 | 179.7° | 180.0° |
| C6 | C3 | C1 | C4 | 3.1° | 0.0° |
| C6 | C3 | C1 | C7 | 174.5° | 180.0° |
| C6 | C3 | C1 | H1 | 176.9° | 180.0° |
| C6 | C3 | C7 | C14 | 177.2° | 180.0° |
| C2 | C5 | C4 | H5 | 180.0° | 180.0° |
| C2 | C5 | C4 | C1 | 0.6° | 0.0° |
| C2 | C5 | C4 | H4 | 179.4° | 180.0° |
| H2 | C2 | C5 | C4 | 178.3° | 180.0° |
| H2 | C2 | C5 | H5 | 1.7° | 0.0° |
| C5 | C4 | C1 | H4 | 180.0° | 180.0° |
| C5 | C4 | C1 | C3 | 1.8° | 0.0° |
| C5 | C4 | C1 | H1 | 178.2° | 180.0° |
| H5 | C5 | C4 | C1 | 179.3° | 179.9° |
| H5 | C5 | C4 | H4 | 0.7° | 0.1° |
| C4 | C1 | C3 | H1 | 180.0° | 180.0° |
| C4 | C1 | C3 | C7 | 177.6° | 179.9° |
| H4 | C4 | C1 | C3 | 178.2° | 180.0° |
| H4 | C4 | C1 | H1 | 1.8° | 0.0° |
| C1 | C3 | C7 | C14 | 2.3° | 0.0° |
| H1 | C1 | C3 | C7 | 2.4° | 0.0° |
| C3 | C7 | C14 | C20 | 63.2° | 65.0° |
| C3 | C7 | C14 | C19 | 111.0° | 115.0° |
| C7 | C14 | C20 | C19 | 174.7° | 179.9° |
| C7 | C14 | C20 | C21 | 174.6° | 180.0° |
| C7 | C14 | C20 | H20 | 5.4° | 0.0° |
| C7 | C14 | C19 | C22 | 174.6° | 179.7° |
| C7 | C14 | C19 | H19 | 5.4° | 0.0° |
| C14 | C20 | C21 | H20 | 180.0° | 180.0° |
| C14 | C20 | C21 | C18 | 0.0° | 0.0° |
| C14 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C14 | C19 | C22 | 0.4° | 0.2° |
| C20 | C14 | C19 | H19 | 179.6° | 180.0° |
| C19 | C14 | C20 | C21 | 0.0° | 0.0° |
| C19 | C14 | C20 | H20 | 180.0° | 180.0° |
| C14 | C19 | C22 | H19 | 180.0° | 179.8° |
| C14 | C19 | C22 | C18 | 0.9° | 0.5° |
| C14 | C19 | C22 | H22 | 179.1° | 180.0° |
| C20 | C21 | C18 | H21 | 180.0° | 180.0° |
| C20 | C21 | C18 | C22 | 0.5° | 0.3° |
| C20 | C21 | C18 | O27 | 179.7° | 180.0° |
| H20 | C20 | C21 | C18 | 179.9° | 180.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| C21 | C18 | C22 | C19 | 0.9° | 0.5° |
| C21 | C18 | C22 | O27 | 179.8° | 179.7° |
| C21 | C18 | C22 | H22 | 179.0° | 180.0° |
| C21 | C18 | O27 | C28 | 175.3° | 180.0° |
| H21 | C21 | C18 | C22 | 179.5° | 179.7° |
| H21 | C21 | C18 | O27 | 0.3° | 0.0° |
| C19 | C22 | C18 | H22 | 180.0° | 179.5° |
| C19 | C22 | C18 | O27 | 179.3° | 179.8° |
| H19 | C19 | C22 | C18 | 179.1° | 179.7° |
| H19 | C19 | C22 | H22 | 0.9° | 0.3° |
| C22 | C18 | O27 | C28 | 4.9° | 0.3° |
| H22 | C22 | C18 | O27 | 0.7° | 0.3° |
| C18 | O27 | C28 | H281 | 36.5° | 180.0° |
| C18 | O27 | C28 | H282 | 83.5° | 60.0° |
| C18 | O27 | C28 | H283 | 156.5° | 60.0° |
| O27 | C28 | H281 | H282 | 120.0° | 120.0° |
| O27 | C28 | H281 | H283 | 120.0° | 120.1° |
| O27 | C28 | H282 | H283 | 120.0° | 120.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
