3P5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C2 | sing | 1.89Å | 1.88Å | |
| C9 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | O54 | sing | 1.36Å | 1.40Å | |
| C6 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | C8 | sing | 1.51Å | 1.53Å | |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | C14 | sing | 1.53Å | 1.56Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C16 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O52 | C16 | sing | 1.43Å | 1.42Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| N29 | C18 | sing | 1.47Å | 1.49Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | S23 | sing | 1.82Å | 1.79Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C24 | S23 | sing | 1.82Å | 1.83Å | |
| S23 | O27 | doub | 1.42Å | 1.42Å | |
| S23 | O28 | doub | 1.42Å | 1.46Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N29 | C31 | sing | 1.47Å | 1.47Å | |
| N29 | HN29 | sing | 1.01Å | 1.00Å | |
| C31 | C34 | sing | 1.51Å | 1.55Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C35 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | C44 | sing | 1.51Å | 1.54Å | |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C46 | C44 | sing | 1.53Å | 1.52Å | |
| C49 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | C49 | sing | 1.53Å | 1.52Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| O52 | HO52 | sing | 0.97Å | 0.95Å | |
| O54 | HO54 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C2 | C9 | 120.6° | 120.1° |
| BR1 | C2 | C3 | 119.4° | 120.0° |
| C9 | C2 | C3 | 120.0° | 119.9° |
| C2 | C9 | C8 | 120.0° | 120.1° |
| C2 | C9 | H9 | 120.0° | 119.9° |
| C2 | C3 | C4 | 119.5° | 119.9° |
| C2 | C3 | O54 | 120.5° | 120.0° |
| C4 | C3 | O54 | 120.1° | 120.1° |
| C3 | C4 | C6 | 120.9° | 120.0° |
| C3 | C4 | H4 | 119.5° | 120.0° |
| C3 | O54 | HO54 | 109.5° | 114.0° |
| C6 | C4 | H4 | 119.6° | 120.0° |
| C4 | C6 | C8 | 119.8° | 120.0° |
| C4 | C6 | H6 | 120.1° | 119.9° |
| C8 | C6 | H6 | 120.1° | 120.0° |
| C6 | C8 | C11 | 119.4° | 119.9° |
| C6 | C8 | C9 | 119.7° | 120.1° |
| C11 | C8 | C9 | 120.9° | 120.0° |
| C8 | C11 | C14 | 110.1° | 109.4° |
| C8 | C11 | H11 | 109.3° | 109.4° |
| C8 | C11 | H11A | 109.3° | 109.5° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C14 | C11 | H11 | 109.3° | 109.5° |
| C14 | C11 | H11A | 109.2° | 109.5° |
| C11 | C14 | C16 | 109.3° | 109.3° |
| C11 | C14 | C24 | 111.3° | 109.4° |
| C11 | C14 | H14 | 108.7° | 109.4° |
| H11 | C11 | H11A | 109.7° | 109.5° |
| C16 | C14 | C24 | 110.5° | 109.9° |
| C16 | C14 | H14 | 109.5° | 109.3° |
| C14 | C16 | O52 | 109.9° | 109.3° |
| C14 | C16 | C18 | 113.1° | 110.7° |
| C14 | C16 | H16 | 106.0° | 109.3° |
| C24 | C14 | H14 | 107.4° | 109.4° |
| C14 | C24 | S23 | 105.9° | 109.0° |
| C14 | C24 | H24 | 110.7° | 109.6° |
| C14 | C24 | H24A | 110.7° | 109.5° |
| O52 | C16 | C18 | 107.5° | 109.2° |
| O52 | C16 | H16 | 111.8° | 109.2° |
| C16 | O52 | HO52 | 109.5° | 114.1° |
| C18 | C16 | H16 | 108.5° | 109.2° |
| C16 | C18 | N29 | 106.7° | 109.4° |
| C16 | C18 | C20 | 111.9° | 110.0° |
| C16 | C18 | H18 | 110.1° | 109.3° |
| N29 | C18 | C20 | 110.5° | 109.4° |
| N29 | C18 | H18 | 111.5° | 109.3° |
| C18 | N29 | C31 | 114.6° | 111.0° |
| C18 | N29 | HN29 | 107.8° | 111.0° |
| C20 | C18 | H18 | 106.2° | 109.4° |
| C18 | C20 | S23 | 107.8° | 109.0° |
| C18 | C20 | H20 | 110.0° | 109.6° |
| C18 | C20 | H20A | 110.1° | 109.5° |
| S23 | C20 | H20 | 110.0° | 109.5° |
| S23 | C20 | H20A | 110.0° | 109.6° |
| C20 | S23 | C24 | 100.0° | 101.3° |
| C20 | S23 | O27 | 109.4° | 108.7° |
| C20 | S23 | O28 | 108.8° | 108.7° |
| H20 | C20 | H20A | 108.9° | 109.7° |
| C24 | S23 | O27 | 109.4° | 108.6° |
| C24 | S23 | O28 | 108.1° | 108.7° |
| S23 | C24 | H24 | 110.7° | 109.6° |
| S23 | C24 | H24A | 110.7° | 109.5° |
| O27 | S23 | O28 | 119.3° | 119.3° |
| H24 | C24 | H24A | 108.2° | 109.7° |
| C31 | N29 | HN29 | 107.8° | 111.0° |
| N29 | C31 | C34 | 113.7° | 109.5° |
| N29 | C31 | H31 | 108.1° | 109.5° |
| N29 | C31 | H31A | 108.1° | 109.5° |
| C34 | C31 | H31 | 108.1° | 109.4° |
| C34 | C31 | H31A | 108.1° | 109.5° |
| C31 | C34 | C35 | 122.3° | 120.0° |
| C31 | C34 | C42 | 117.9° | 120.0° |
| H31 | C31 | H31A | 110.9° | 109.5° |
| C35 | C34 | C42 | 119.8° | 120.0° |
| C34 | C35 | C37 | 119.6° | 120.0° |
| C34 | C35 | H35 | 120.2° | 120.0° |
| C34 | C42 | C40 | 120.2° | 120.0° |
| C34 | C42 | H42 | 119.9° | 120.0° |
| C37 | C35 | H35 | 120.2° | 120.0° |
| C35 | C37 | C44 | 124.1° | 120.0° |
| C35 | C37 | C38 | 119.9° | 120.0° |
| C44 | C37 | C38 | 116.0° | 120.0° |
| C37 | C44 | C46 | 111.5° | 117.5° |
| C37 | C44 | C49 | 111.0° | 117.5° |
| C37 | C44 | H44 | 99.9° | 115.5° |
| C37 | C38 | C40 | 120.0° | 120.0° |
| C37 | C38 | H38 | 120.0° | 120.0° |
| C40 | C38 | H38 | 120.0° | 120.0° |
| C38 | C40 | C42 | 120.5° | 120.0° |
| C38 | C40 | H40 | 119.7° | 120.0° |
| C42 | C40 | H40 | 119.7° | 120.0° |
| C40 | C42 | H42 | 119.9° | 120.0° |
| C46 | C44 | C49 | 60.0° | 60.0° |
| C46 | C44 | H44 | 135.2° | 117.5° |
| C44 | C46 | C49 | 60.1° | 60.0° |
| C44 | C46 | H46 | 130.8° | 117.5° |
| C44 | C46 | H46A | 130.8° | 117.5° |
| C49 | C44 | H44 | 135.6° | 117.6° |
| C44 | C49 | C46 | 59.9° | 60.0° |
| C44 | C49 | H49 | 130.9° | 117.5° |
| C44 | C49 | H49A | 131.0° | 117.5° |
| C49 | C46 | H46 | 130.8° | 117.5° |
| C49 | C46 | H46A | 130.8° | 117.5° |
| C46 | C49 | H49 | 131.0° | 117.5° |
| C46 | C49 | H49A | 130.9° | 117.5° |
| H46 | C46 | H46A | 81.9° | 115.6° |
| H49 | C49 | H49A | 81.7° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C2 | C9 | C3 | 179.7° | 179.7° |
| BR1 | C2 | C3 | C4 | 177.9° | 180.0° |
| BR1 | C2 | C3 | O54 | 2.0° | 0.0° |
| BR1 | C2 | C9 | C8 | 178.4° | 179.7° |
| BR1 | C2 | C9 | H9 | 1.6° | 0.1° |
| C9 | C2 | C3 | C4 | 1.8° | 0.2° |
| C9 | C2 | C3 | O54 | 178.2° | 179.7° |
| C2 | C9 | C8 | C6 | 0.1° | 0.7° |
| C2 | C9 | C8 | C11 | 179.8° | 179.7° |
| C2 | C9 | C8 | H9 | 180.0° | 179.6° |
| C2 | C3 | C4 | O54 | 179.9° | 179.9° |
| C2 | C3 | C4 | C6 | 1.1° | 0.0° |
| C2 | C3 | C4 | H4 | 178.9° | 180.0° |
| C3 | C2 | C9 | C8 | 1.3° | 0.6° |
| C3 | C2 | C9 | H9 | 178.7° | 179.8° |
| C2 | C3 | O54 | HO54 | 180.0° | 90.0° |
| C3 | C4 | C6 | H4 | 180.0° | 180.0° |
| C3 | C4 | C6 | C8 | 0.1° | 0.0° |
| C3 | C4 | C6 | H6 | 179.9° | 179.9° |
| C4 | C3 | O54 | HO54 | 0.0° | 89.9° |
| O54 | C3 | C4 | C6 | 178.9° | 180.0° |
| O54 | C3 | C4 | H4 | 1.1° | 0.0° |
| C4 | C6 | C8 | H6 | 180.0° | 179.9° |
| C4 | C6 | C8 | C11 | 179.1° | 179.9° |
| C4 | C6 | C8 | C9 | 0.6° | 0.4° |
| H4 | C4 | C6 | C8 | 179.9° | 180.0° |
| H4 | C4 | C6 | H6 | 0.1° | 0.1° |
| C6 | C8 | C11 | C9 | 179.8° | 179.7° |
| C6 | C8 | C9 | H9 | 179.9° | 179.7° |
| C6 | C8 | C11 | C14 | 81.5° | 90.0° |
| C6 | C8 | C11 | H11 | 38.5° | 150.0° |
| C6 | C8 | C11 | H11A | 158.5° | 30.0° |
| H6 | C6 | C8 | C11 | 0.9° | 0.0° |
| H6 | C6 | C8 | C9 | 179.3° | 179.7° |
| C11 | C8 | C9 | H9 | 0.2° | 0.0° |
| C8 | C11 | C14 | H11 | 120.0° | 120.0° |
| C8 | C11 | C14 | H11A | 120.0° | 120.0° |
| C8 | C11 | H11 | H11A | 119.8° | 120.0° |
| C8 | C11 | C14 | C16 | 171.0° | 174.5° |
| C8 | C11 | C14 | C24 | 48.6° | 65.1° |
| C8 | C11 | C14 | H14 | 69.6° | 54.8° |
| C9 | C8 | C11 | C14 | 98.3° | 89.7° |
| C9 | C8 | C11 | H11 | 141.7° | 30.3° |
| C9 | C8 | C11 | H11A | 21.7° | 150.3° |
| C14 | C11 | H11 | H11A | 119.7° | 120.0° |
| C11 | C14 | C16 | C24 | 122.8° | 120.1° |
| C11 | C14 | C16 | H14 | 119.0° | 119.7° |
| C11 | C14 | C24 | H14 | 118.9° | 119.8° |
| C11 | C14 | C16 | O52 | 53.1° | 49.6° |
| C11 | C14 | C16 | C18 | 173.3° | 169.9° |
| C11 | C14 | C16 | H16 | 67.9° | 69.8° |
| C11 | C14 | C24 | S23 | 172.8° | 176.2° |
| C11 | C14 | C24 | H24 | 67.2° | 63.9° |
| C11 | C14 | C24 | H24A | 52.8° | 56.4° |
| H11 | C11 | C14 | C16 | 69.0° | 54.5° |
| H11 | C11 | C14 | C24 | 168.6° | 175.0° |
| H11 | C11 | C14 | H14 | 50.5° | 65.2° |
| H11A | C11 | C14 | C16 | 51.0° | 65.5° |
| H11A | C11 | C14 | C24 | 71.4° | 54.9° |
| H11A | C11 | C14 | H14 | 170.4° | 174.8° |
| C16 | C14 | C24 | H14 | 119.4° | 120.1° |
| C14 | C16 | O52 | C18 | 123.6° | 121.2° |
| C14 | C16 | O52 | H16 | 117.4° | 119.5° |
| C14 | C16 | C18 | H16 | 117.3° | 120.4° |
| C14 | C16 | C18 | N29 | 177.6° | 169.8° |
| C14 | C16 | C18 | C20 | 61.4° | 70.0° |
| C14 | C16 | C18 | H18 | 56.5° | 50.1° |
| C16 | C14 | C24 | S23 | 65.5° | 63.7° |
| C16 | C14 | C24 | H24 | 54.5° | 56.2° |
| C16 | C14 | C24 | H24A | 174.5° | 176.5° |
| C14 | C16 | O52 | HO52 | 180.0° | 174.1° |
| C24 | C14 | C16 | O52 | 175.9° | 169.7° |
| C24 | C14 | C16 | C18 | 63.8° | 70.0° |
| C24 | C14 | C16 | H16 | 54.9° | 50.3° |
| C14 | C24 | S23 | C20 | 63.0° | 54.3° |
| C14 | C24 | S23 | H24 | 120.0° | 119.9° |
| C14 | C24 | S23 | H24A | 120.0° | 119.8° |
| C14 | C24 | S23 | O27 | 177.8° | 168.7° |
| C14 | C24 | S23 | O28 | 50.7° | 60.0° |
| C14 | C24 | H24 | H24A | 121.4° | 120.2° |
| H14 | C14 | C16 | O52 | 65.9° | 70.2° |
| H14 | C14 | C16 | C18 | 54.3° | 50.1° |
| H14 | C14 | C16 | H16 | 173.1° | 170.4° |
| H14 | C14 | C24 | S23 | 53.9° | 56.4° |
| H14 | C14 | C24 | H24 | 174.0° | 176.3° |
| H14 | C14 | C24 | H24A | 66.1° | 63.4° |
| O52 | C16 | C18 | H16 | 121.1° | 119.3° |
| O52 | C16 | C18 | N29 | 56.0° | 49.5° |
| O52 | C16 | C18 | C20 | 177.0° | 169.7° |
| O52 | C16 | C18 | H18 | 65.1° | 70.2° |
| C16 | C18 | N29 | C20 | 121.9° | 120.6° |
| C16 | C18 | N29 | H18 | 120.2° | 119.7° |
| C16 | C18 | C20 | H18 | 120.2° | 120.1° |
| C16 | C18 | C20 | S23 | 62.6° | 63.6° |
| C16 | C18 | C20 | H20 | 177.4° | 176.5° |
| C16 | C18 | C20 | H20A | 57.4° | 56.2° |
| C16 | C18 | N29 | C31 | 164.6° | 63.6° |
| C16 | C18 | N29 | HN29 | 44.6° | 172.5° |
| C18 | C16 | O52 | HO52 | 56.4° | 64.8° |
| H16 | C16 | C18 | N29 | 65.1° | 69.8° |
| H16 | C16 | C18 | C20 | 56.0° | 50.4° |
| H16 | C16 | C18 | H18 | 173.8° | 170.5° |
| H16 | C16 | O52 | HO52 | 62.6° | 54.6° |
| N29 | C18 | C20 | H18 | 121.0° | 119.7° |
| N29 | C18 | C20 | S23 | 178.6° | 176.2° |
| N29 | C18 | C20 | H20 | 58.6° | 56.4° |
| N29 | C18 | C20 | H20A | 61.4° | 64.0° |
| C18 | N29 | C31 | HN29 | 120.0° | 123.9° |
| C18 | N29 | C31 | C34 | 58.5° | 180.0° |
| C18 | N29 | C31 | H31 | 178.5° | 60.1° |
| C18 | N29 | C31 | H31A | 61.5° | 60.0° |
| C18 | C20 | S23 | H20 | 120.0° | 119.9° |
| C18 | C20 | S23 | H20A | 120.0° | 119.8° |
| C18 | C20 | H20 | H20A | 120.7° | 120.2° |
| C18 | C20 | S23 | C24 | 61.1° | 54.3° |
| C18 | C20 | S23 | O27 | 175.9° | 168.6° |
| C18 | C20 | S23 | O28 | 52.1° | 60.1° |
| C20 | C18 | N29 | C31 | 73.5° | 56.9° |
| C20 | C18 | N29 | HN29 | 166.5° | 67.0° |
| H18 | C18 | C20 | S23 | 57.6° | 56.5° |
| H18 | C18 | C20 | H20 | 62.4° | 63.3° |
| H18 | C18 | C20 | H20A | 177.6° | 176.4° |
| H18 | C18 | N29 | C31 | 44.4° | 176.7° |
| H18 | C18 | N29 | HN29 | 75.6° | 52.8° |
| S23 | C20 | H20 | H20A | 120.7° | 120.2° |
| C20 | S23 | C24 | O27 | 114.8° | 114.3° |
| C20 | S23 | C24 | O28 | 113.7° | 114.4° |
| C20 | S23 | O27 | O28 | 126.2° | 125.3° |
| C20 | S23 | C24 | H24 | 57.0° | 65.6° |
| C20 | S23 | C24 | H24A | 177.0° | 174.1° |
| H20 | C20 | S23 | C24 | 178.9° | 174.2° |
| H20 | C20 | S23 | O27 | 64.1° | 71.6° |
| H20 | C20 | S23 | O28 | 67.9° | 59.8° |
| H20A | C20 | S23 | C24 | 58.9° | 65.5° |
| H20A | C20 | S23 | O27 | 55.9° | 48.7° |
| H20A | C20 | S23 | O28 | 172.1° | 179.9° |
| C24 | S23 | O27 | O28 | 125.2° | 125.3° |
| S23 | C24 | H24 | H24A | 121.5° | 120.3° |
| O27 | S23 | C24 | H24 | 57.8° | 48.8° |
| O27 | S23 | C24 | H24A | 62.2° | 71.6° |
| O28 | S23 | C24 | H24 | 170.7° | 179.9° |
| O28 | S23 | C24 | H24A | 69.3° | 59.7° |
| N29 | C31 | C34 | H31 | 120.0° | 119.9° |
| N29 | C31 | C34 | H31A | 120.0° | 120.0° |
| N29 | C31 | H31 | H31A | 118.3° | 120.0° |
| N29 | C31 | C34 | C35 | 59.0° | 89.8° |
| N29 | C31 | C34 | C42 | 121.0° | 89.9° |
| HN29 | N29 | C31 | C34 | 61.5° | 56.1° |
| HN29 | N29 | C31 | H31 | 58.5° | 176.0° |
| HN29 | N29 | C31 | H31A | 178.5° | 63.9° |
| C34 | C31 | H31 | H31A | 118.3° | 120.0° |
| C31 | C34 | C35 | C42 | 180.0° | 179.7° |
| C31 | C34 | C35 | C37 | 179.7° | 180.0° |
| C31 | C34 | C35 | H35 | 0.3° | 0.0° |
| C31 | C34 | C42 | C40 | 179.8° | 179.8° |
| C31 | C34 | C42 | H42 | 0.3° | 0.0° |
| H31 | C31 | C34 | C35 | 61.0° | 150.3° |
| H31 | C31 | C34 | C42 | 119.0° | 30.0° |
| H31A | C31 | C34 | C35 | 179.0° | 30.3° |
| H31A | C31 | C34 | C42 | 1.0° | 150.0° |
| C34 | C35 | C37 | H35 | 180.0° | 180.0° |
| C34 | C35 | C37 | C44 | 179.5° | 180.0° |
| C34 | C35 | C37 | C38 | 0.3° | 0.0° |
| C35 | C34 | C42 | C40 | 0.2° | 0.5° |
| C35 | C34 | C42 | H42 | 179.7° | 179.7° |
| C42 | C34 | C35 | C37 | 0.3° | 0.3° |
| C42 | C34 | C35 | H35 | 179.7° | 179.7° |
| C34 | C42 | C40 | C38 | 0.7° | 0.5° |
| C34 | C42 | C40 | H42 | 180.0° | 179.7° |
| C34 | C42 | C40 | H40 | 179.3° | 179.7° |
| C35 | C37 | C44 | C38 | 179.8° | 180.0° |
| C35 | C37 | C38 | C40 | 0.1° | 0.0° |
| C35 | C37 | C38 | H38 | 179.9° | 179.9° |
| C35 | C37 | C44 | C46 | 32.4° | 120.1° |
| C35 | C37 | C44 | C49 | 32.5° | 171.3° |
| C35 | C37 | C44 | H44 | 179.9° | 25.6° |
| H35 | C35 | C37 | C44 | 0.6° | 0.0° |
| H35 | C35 | C37 | C38 | 179.7° | 180.0° |
| C44 | C37 | C38 | C40 | 179.9° | 180.0° |
| C44 | C37 | C38 | H38 | 0.1° | 0.1° |
| C37 | C44 | C46 | C49 | 102.6° | 107.5° |
| C37 | C44 | C46 | H44 | 131.3° | 144.9° |
| C37 | C44 | C49 | H44 | 131.0° | 145.0° |
| C37 | C44 | C46 | H46 | 17.4° | 0.0° |
| C37 | C44 | C46 | H46A | 137.4° | 145.0° |
| C37 | C44 | C49 | H49 | 136.6° | 145.1° |
| C37 | C44 | C49 | H49A | 16.6° | 0.1° |
| C37 | C38 | C40 | H38 | 180.0° | 179.9° |
| C37 | C38 | C40 | C42 | 0.7° | 0.3° |
| C37 | C38 | C40 | H40 | 179.4° | 179.9° |
| C38 | C37 | C44 | C46 | 147.8° | 60.0° |
| C38 | C37 | C44 | C49 | 147.3° | 8.7° |
| C38 | C37 | C44 | H44 | 0.3° | 154.4° |
| C38 | C40 | C42 | H40 | 180.0° | 179.8° |
| C38 | C40 | C42 | H42 | 179.3° | 179.7° |
| H38 | C38 | C40 | C42 | 179.4° | 179.8° |
| H38 | C38 | C40 | H40 | 0.6° | 0.0° |
| H40 | C40 | C42 | H42 | 0.7° | 0.1° |
| C46 | C44 | C49 | H44 | 125.6° | 107.5° |
| C44 | C46 | C49 | H46 | 120.0° | 107.5° |
| C44 | C46 | C49 | H46A | 120.0° | 107.4° |
| C44 | C46 | H46 | H46A | 138.6° | 145.7° |
| C44 | C46 | C49 | H49 | 120.0° | 107.5° |
| C44 | C46 | C49 | H49A | 120.0° | 107.5° |
| C44 | C49 | H49 | H49A | 138.6° | 145.7° |
| H44 | C44 | C46 | H46 | 113.9° | 145.0° |
| H44 | C44 | C46 | H46A | 6.1° | 0.1° |
| H44 | C44 | C49 | H49 | 5.6° | 0.0° |
| H44 | C44 | C49 | H49A | 114.4° | 145.0° |
| C49 | C46 | H46 | H46A | 138.6° | 145.8° |
| C46 | C49 | H49 | H49A | 138.6° | 145.7° |
| H46 | C46 | C49 | H49 | 120.0° | 145.1° |
| H46 | C46 | C49 | H49A | 0.1° | 0.0° |
| H46A | C46 | C49 | H49 | 0.0° | 0.0° |
| H46A | C46 | C49 | H49A | 120.0° | 145.1° |
