B80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | S35 | doub | 1.42Å | 1.49Å | |
| S35 | O30 | doub | 1.42Å | 1.48Å | |
| S35 | C20 | sing | 1.81Å | 1.66Å | |
| S35 | N26 | sing | 1.66Å | 1.53Å | |
| N26 | C10 | sing | 1.40Å | 1.37Å | |
| C10 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C12 | doub | 1.37Å | 1.40Å | Aromatic |
| C12 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | S34 | sing | 1.77Å | 1.61Å | |
| C9 | N23 | sing | 1.36Å | 1.35Å | |
| N23 | C15 | doub | 1.30Å | 1.36Å | |
| S34 | O28 | doub | 1.42Å | 1.48Å | |
| S34 | O29 | doub | 1.42Å | 1.47Å | |
| S34 | N24 | sing | 1.67Å | 1.60Å | |
| N24 | C15 | sing | 1.38Å | 1.36Å | |
| C15 | C13 | sing | 1.47Å | 1.51Å | |
| C13 | C14 | doub | 1.36Å | 1.34Å | |
| C13 | C16 | sing | 1.47Å | 1.48Å | |
| C14 | O32 | sing | 1.34Å | 1.33Å | |
| C14 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C22 | sing | 1.53Å | 1.53Å | |
| C18 | N25 | sing | 1.46Å | 1.48Å | |
| C22 | C19 | sing | 1.53Å | 1.51Å | |
| C16 | O27 | doub | 1.22Å | 1.22Å | |
| C16 | N25 | sing | 1.35Å | 1.34Å | |
| N25 | C21 | sing | 1.47Å | 1.46Å | |
| C21 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | F33 | sing | 1.35Å | 1.34Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | S35 | O30 | 108.5° | 121.1° |
| O31 | S35 | C20 | 110.6° | 110.5° |
| O31 | S35 | N26 | 112.2° | 104.2° |
| O30 | S35 | C20 | 107.6° | 110.6° |
| O30 | S35 | N26 | 109.3° | 104.2° |
| C20 | S35 | N26 | 108.5° | 104.4° |
| S35 | C20 | H20 | 109.5° | 109.5° |
| S35 | C20 | H20A | 109.4° | 109.5° |
| S35 | C20 | H20B | 109.5° | 109.4° |
| S35 | N26 | C10 | 127.0° | 120.0° |
| S35 | N26 | HN26 | 104.0° | 120.0° |
| N26 | C10 | C4 | 117.4° | 120.1° |
| N26 | C10 | C7 | 123.7° | 120.1° |
| C10 | N26 | HN26 | 104.0° | 120.0° |
| C4 | C10 | C7 | 118.9° | 119.8° |
| C10 | C4 | C3 | 120.6° | 120.5° |
| C10 | C4 | H4 | 119.7° | 119.7° |
| C10 | C7 | C12 | 120.9° | 119.6° |
| C10 | C7 | H7 | 119.6° | 120.2° |
| C4 | C3 | C9 | 120.3° | 120.1° |
| C3 | C4 | H4 | 119.7° | 119.7° |
| C4 | C3 | H3 | 119.9° | 119.9° |
| C3 | C9 | C12 | 120.2° | 118.7° |
| C3 | C9 | N23 | 118.3° | 120.4° |
| C9 | C3 | H3 | 119.9° | 120.0° |
| C7 | C12 | C9 | 119.2° | 121.3° |
| C7 | C12 | S34 | 121.5° | 121.3° |
| C12 | C7 | H7 | 119.6° | 120.2° |
| C9 | C12 | S34 | 119.3° | 117.5° |
| C12 | C9 | N23 | 121.5° | 121.0° |
| C12 | S34 | O28 | 110.8° | 107.0° |
| C12 | S34 | O29 | 109.8° | 107.0° |
| C12 | S34 | N24 | 108.5° | 103.4° |
| C9 | N23 | C15 | 124.4° | 127.5° |
| N23 | C15 | N24 | 121.0° | 123.3° |
| N23 | C15 | C13 | 119.0° | 118.4° |
| O28 | S34 | O29 | 108.8° | 123.7° |
| O28 | S34 | N24 | 108.9° | 107.0° |
| O29 | S34 | N24 | 109.9° | 107.0° |
| S34 | N24 | C15 | 121.5° | 116.5° |
| S34 | N24 | HN24 | 119.3° | 121.8° |
| N24 | C15 | C13 | 120.0° | 118.3° |
| C15 | N24 | HN24 | 119.2° | 121.7° |
| C15 | C13 | C14 | 120.7° | 120.4° |
| C15 | C13 | C16 | 120.3° | 120.4° |
| C14 | C13 | C16 | 119.1° | 119.3° |
| C13 | C14 | O32 | 121.0° | 120.1° |
| C13 | C14 | C17 | 120.7° | 119.8° |
| C13 | C16 | O27 | 120.7° | 120.2° |
| C13 | C16 | N25 | 118.8° | 119.8° |
| O32 | C14 | C17 | 118.4° | 120.1° |
| C14 | O32 | HO32 | 109.5° | 117.1° |
| C14 | C17 | C18 | 112.4° | 110.1° |
| C14 | C17 | H17 | 108.5° | 109.4° |
| C14 | C17 | H17A | 108.5° | 109.4° |
| C17 | C18 | C22 | 110.4° | 109.3° |
| C17 | C18 | N25 | 107.2° | 110.5° |
| C18 | C17 | H17 | 108.5° | 109.4° |
| C18 | C17 | H17A | 108.5° | 109.3° |
| C17 | C18 | H18 | 110.2° | 109.3° |
| C22 | C18 | N25 | 108.8° | 109.2° |
| C18 | C22 | C19 | 111.3° | 109.4° |
| C22 | C18 | H18 | 108.6° | 109.3° |
| C18 | C22 | H22 | 108.9° | 109.5° |
| C18 | C22 | H22A | 108.9° | 109.5° |
| C18 | N25 | C16 | 124.2° | 120.5° |
| C18 | N25 | C21 | 111.8° | 119.7° |
| N25 | C18 | H18 | 111.7° | 109.1° |
| C19 | C22 | H22 | 108.9° | 109.5° |
| C19 | C22 | H22A | 108.9° | 109.4° |
| C22 | C19 | H19 | 109.5° | 109.5° |
| C22 | C19 | H19A | 109.4° | 109.5° |
| C22 | C19 | H19B | 109.5° | 109.5° |
| O27 | C16 | N25 | 120.5° | 120.0° |
| C16 | N25 | C21 | 124.0° | 119.7° |
| N25 | C21 | C8 | 109.5° | 109.5° |
| N25 | C21 | H21 | 109.5° | 109.5° |
| N25 | C21 | H21A | 109.5° | 109.4° |
| C21 | C8 | C1 | 119.3° | 120.0° |
| C21 | C8 | C2 | 120.3° | 120.0° |
| C8 | C21 | H21 | 109.5° | 109.5° |
| C8 | C21 | H21A | 109.5° | 109.5° |
| C1 | C8 | C2 | 120.5° | 120.0° |
| C8 | C1 | C5 | 120.0° | 120.1° |
| C8 | C1 | H1 | 120.0° | 119.9° |
| C8 | C2 | C6 | 119.6° | 120.0° |
| C8 | C2 | H2 | 120.2° | 120.0° |
| C1 | C5 | C11 | 119.4° | 119.9° |
| C5 | C1 | H1 | 120.0° | 120.0° |
| C1 | C5 | H5 | 120.3° | 120.1° |
| C5 | C11 | C6 | 120.6° | 120.0° |
| C5 | C11 | F33 | 119.6° | 120.0° |
| C11 | C5 | H5 | 120.3° | 120.0° |
| C2 | C6 | C11 | 119.9° | 120.0° |
| C6 | C2 | H2 | 120.2° | 120.0° |
| C2 | C6 | H6 | 120.0° | 120.0° |
| C6 | C11 | F33 | 119.8° | 120.0° |
| C11 | C6 | H6 | 120.0° | 120.1° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H17 | C17 | H17A | 110.4° | 109.2° |
| H22 | C22 | H22A | 110.0° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | S35 | O30 | C20 | 119.7° | 131.6° |
| O31 | S35 | O30 | N26 | 122.6° | 116.7° |
| O31 | S35 | C20 | N26 | 123.5° | 111.6° |
| O31 | S35 | N26 | C10 | 35.2° | 51.0° |
| O31 | S35 | C20 | H20 | 180.0° | 51.5° |
| O31 | S35 | C20 | H20A | 60.0° | 171.6° |
| O31 | S35 | C20 | H20B | 60.0° | 68.4° |
| O31 | S35 | N26 | HN26 | 84.8° | 128.9° |
| O30 | S35 | C20 | N26 | 118.2° | 111.6° |
| O30 | S35 | N26 | C10 | 155.5° | 178.9° |
| O30 | S35 | C20 | H20 | 61.7° | 171.6° |
| O30 | S35 | C20 | H20A | 58.3° | 51.6° |
| O30 | S35 | C20 | H20B | 178.3° | 68.4° |
| O30 | S35 | N26 | HN26 | 35.6° | 1.0° |
| C20 | S35 | N26 | C10 | 87.3° | 65.0° |
| S35 | C20 | H20 | H20A | 120.0° | 120.0° |
| S35 | C20 | H20 | H20B | 120.0° | 120.0° |
| S35 | C20 | H20A | H20B | 120.0° | 119.9° |
| C20 | S35 | N26 | HN26 | 152.7° | 115.0° |
| S35 | N26 | C10 | HN26 | 120.0° | 179.9° |
| S35 | N26 | C10 | C4 | 160.1° | 45.0° |
| S35 | N26 | C10 | C7 | 20.4° | 135.2° |
| N26 | S35 | C20 | H20 | 56.5° | 60.0° |
| N26 | S35 | C20 | H20A | 176.5° | 60.0° |
| N26 | S35 | C20 | H20B | 63.5° | 180.0° |
| N26 | C10 | C4 | C7 | 179.6° | 179.8° |
| N26 | C10 | C4 | C3 | 180.0° | 179.7° |
| N26 | C10 | C7 | C12 | 179.9° | 180.0° |
| N26 | C10 | C4 | H4 | 0.0° | 0.3° |
| N26 | C10 | C7 | H7 | 0.0° | 0.1° |
| C10 | C4 | C3 | H4 | 180.0° | 179.9° |
| C10 | C4 | C3 | C9 | 0.5° | 0.0° |
| C4 | C10 | C7 | C12 | 0.4° | 0.2° |
| C4 | C10 | N26 | HN26 | 40.1° | 135.0° |
| C10 | C4 | C3 | H3 | 179.5° | 180.0° |
| C4 | C10 | C7 | H7 | 179.6° | 179.7° |
| C7 | C10 | C4 | C3 | 0.4° | 0.5° |
| C10 | C7 | C12 | H7 | 180.0° | 179.9° |
| C10 | C7 | C12 | C9 | 0.4° | 0.6° |
| C10 | C7 | C12 | S34 | 179.7° | 178.9° |
| C7 | C10 | N26 | HN26 | 140.4° | 44.8° |
| C7 | C10 | C4 | H4 | 179.6° | 179.5° |
| C4 | C3 | C9 | H3 | 180.0° | 180.0° |
| C4 | C3 | C9 | C12 | 0.5° | 0.8° |
| C4 | C3 | C9 | N23 | 179.9° | 179.9° |
| C3 | C9 | C12 | C7 | 0.5° | 1.1° |
| C3 | C9 | C12 | N23 | 179.4° | 179.3° |
| C3 | C9 | C12 | S34 | 179.7° | 178.4° |
| C3 | C9 | N23 | C15 | 164.8° | 166.9° |
| C9 | C3 | C4 | H4 | 179.6° | 180.0° |
| C7 | C12 | C9 | S34 | 179.9° | 179.5° |
| C7 | C12 | C9 | N23 | 179.9° | 179.6° |
| C7 | C12 | S34 | O28 | 46.1° | 89.5° |
| C7 | C12 | S34 | O29 | 74.1° | 44.9° |
| C7 | C12 | S34 | N24 | 165.6° | 157.7° |
| C12 | C9 | N23 | C15 | 15.8° | 13.7° |
| C9 | C12 | S34 | O28 | 133.7° | 90.0° |
| C9 | C12 | S34 | O29 | 106.0° | 135.6° |
| C9 | C12 | S34 | N24 | 14.2° | 22.8° |
| C12 | C9 | C3 | H3 | 179.5° | 179.2° |
| C9 | C12 | C7 | H7 | 179.6° | 179.5° |
| S34 | C12 | C9 | N23 | 0.3° | 0.9° |
| C12 | S34 | O28 | O29 | 120.9° | 124.8° |
| C12 | S34 | O28 | N24 | 119.3° | 110.3° |
| C12 | S34 | O29 | N24 | 119.4° | 110.3° |
| C12 | S34 | N24 | C15 | 17.1° | 36.0° |
| S34 | C12 | C7 | H7 | 0.3° | 1.0° |
| C12 | S34 | N24 | HN24 | 162.9° | 143.9° |
| C9 | N23 | C15 | N24 | 13.0° | 1.7° |
| C9 | N23 | C15 | C13 | 167.5° | 177.7° |
| N23 | C9 | C3 | H3 | 0.1° | 0.1° |
| N23 | C15 | N24 | S34 | 5.2° | 29.8° |
| N23 | C15 | N24 | C13 | 179.5° | 179.4° |
| N23 | C15 | C13 | C14 | 158.9° | 65.3° |
| N23 | C15 | C13 | C16 | 20.8° | 115.0° |
| N23 | C15 | N24 | HN24 | 174.9° | 150.1° |
| O28 | S34 | O29 | N24 | 119.2° | 124.9° |
| O28 | S34 | N24 | C15 | 137.8° | 76.8° |
| O28 | S34 | N24 | HN24 | 42.2° | 103.3° |
| O29 | S34 | N24 | C15 | 103.0° | 148.7° |
| O29 | S34 | N24 | HN24 | 76.9° | 31.1° |
| S34 | N24 | C15 | HN24 | 180.0° | 179.8° |
| S34 | N24 | C15 | C13 | 174.3° | 149.6° |
| N24 | C15 | C13 | C14 | 20.7° | 114.2° |
| N24 | C15 | C13 | C16 | 159.7° | 65.6° |
| C15 | C13 | C14 | C16 | 179.7° | 179.7° |
| C15 | C13 | C14 | O32 | 6.3° | 1.8° |
| C15 | C13 | C14 | C17 | 173.3° | 178.1° |
| C15 | C13 | C16 | O27 | 6.8° | 13.7° |
| C15 | C13 | C16 | N25 | 173.8° | 166.6° |
| C13 | C15 | N24 | HN24 | 5.6° | 30.5° |
| C13 | C14 | O32 | C17 | 179.6° | 179.9° |
| C13 | C14 | C17 | C18 | 34.6° | 33.9° |
| C14 | C13 | C16 | O27 | 172.9° | 166.6° |
| C14 | C13 | C16 | N25 | 6.5° | 13.2° |
| C13 | C14 | O32 | HO32 | 180.0° | 5.3° |
| C13 | C14 | C17 | H17 | 154.6° | 86.3° |
| C13 | C14 | C17 | H17A | 85.4° | 154.1° |
| C16 | C13 | C14 | O32 | 174.0° | 177.9° |
| C16 | C13 | C14 | C17 | 6.4° | 2.2° |
| C13 | C16 | N25 | C18 | 12.1° | 7.3° |
| C13 | C16 | O27 | N25 | 179.3° | 179.7° |
| C13 | C16 | N25 | C21 | 166.7° | 173.0° |
| O32 | C14 | C17 | C18 | 145.8° | 146.2° |
| O32 | C14 | C17 | H17 | 25.8° | 93.6° |
| O32 | C14 | C17 | H17A | 94.2° | 26.0° |
| C14 | C17 | C18 | H17 | 120.0° | 120.2° |
| C14 | C17 | C18 | H17A | 120.0° | 120.2° |
| C14 | C17 | C18 | C22 | 71.8° | 170.7° |
| C14 | C17 | C18 | N25 | 46.6° | 50.4° |
| C17 | C14 | O32 | HO32 | 0.4° | 174.8° |
| C14 | C17 | H17 | H17A | 118.8° | 119.7° |
| C14 | C17 | C18 | H18 | 168.3° | 69.7° |
| C17 | C18 | C22 | N25 | 117.4° | 121.0° |
| C17 | C18 | C22 | H18 | 120.9° | 119.6° |
| C17 | C18 | N25 | H18 | 120.7° | 120.2° |
| C17 | C18 | C22 | C19 | 91.1° | 63.3° |
| C17 | C18 | N25 | C16 | 38.5° | 39.4° |
| C17 | C18 | N25 | C21 | 140.4° | 140.9° |
| C18 | C17 | H17 | H17A | 118.8° | 119.6° |
| C17 | C18 | C22 | H22 | 148.9° | 176.7° |
| C17 | C18 | C22 | H22A | 28.9° | 56.7° |
| C22 | C18 | N25 | H18 | 119.8° | 119.5° |
| C18 | C22 | C19 | H22 | 120.0° | 120.1° |
| C18 | C22 | C19 | H22A | 120.0° | 120.0° |
| C22 | C18 | N25 | C16 | 80.9° | 159.8° |
| C22 | C18 | N25 | C21 | 100.2° | 20.5° |
| C22 | C18 | C17 | H17 | 48.2° | 50.4° |
| C22 | C18 | C17 | H17A | 168.2° | 69.1° |
| C18 | C22 | H22 | H22A | 119.3° | 120.0° |
| C18 | C22 | C19 | H19 | 180.0° | 174.8° |
| C18 | C22 | C19 | H19A | 60.0° | 65.1° |
| C18 | C22 | C19 | H19B | 60.0° | 54.9° |
| N25 | C18 | C22 | C19 | 151.5° | 175.7° |
| C18 | N25 | C16 | O27 | 168.6° | 173.0° |
| C18 | N25 | C16 | C21 | 178.8° | 179.7° |
| C18 | N25 | C21 | C8 | 83.6° | 93.9° |
| N25 | C18 | C17 | H17 | 166.6° | 69.8° |
| N25 | C18 | C17 | H17A | 73.4° | 170.6° |
| N25 | C18 | C22 | H22 | 31.5° | 55.7° |
| N25 | C18 | C22 | H22A | 88.5° | 64.3° |
| C18 | N25 | C21 | H21 | 156.4° | 146.1° |
| C18 | N25 | C21 | H21A | 36.4° | 26.1° |
| C19 | C22 | C18 | H18 | 29.8° | 56.4° |
| C19 | C22 | H22 | H22A | 119.2° | 119.9° |
| C22 | C19 | H19 | H19A | 120.0° | 120.1° |
| C22 | C19 | H19 | H19B | 120.0° | 120.0° |
| C22 | C19 | H19A | H19B | 120.0° | 120.0° |
| O27 | C16 | N25 | C21 | 12.6° | 6.7° |
| C16 | N25 | C21 | C8 | 95.3° | 85.8° |
| C16 | N25 | C18 | H18 | 159.3° | 80.8° |
| C16 | N25 | C21 | H21 | 24.7° | 34.2° |
| C16 | N25 | C21 | H21A | 144.6° | 154.2° |
| N25 | C21 | C8 | H21 | 120.0° | 120.0° |
| N25 | C21 | C8 | H21A | 120.0° | 119.9° |
| N25 | C21 | C8 | C1 | 119.6° | 95.2° |
| N25 | C21 | C8 | C2 | 60.1° | 85.0° |
| C21 | N25 | C18 | H18 | 19.7° | 98.9° |
| N25 | C21 | H21 | H21A | 120.0° | 119.9° |
| C21 | C8 | C1 | C2 | 179.7° | 179.8° |
| C21 | C8 | C1 | C5 | 179.6° | 180.0° |
| C21 | C8 | C2 | C6 | 179.5° | 179.9° |
| C8 | C21 | H21 | H21A | 120.0° | 120.0° |
| C21 | C8 | C1 | H1 | 0.4° | 0.0° |
| C21 | C8 | C2 | H2 | 0.4° | 0.1° |
| C8 | C1 | C5 | H1 | 180.0° | 180.0° |
| C8 | C1 | C5 | C11 | 0.0° | 0.0° |
| C1 | C8 | C2 | C6 | 0.1° | 0.1° |
| C1 | C8 | C21 | H21 | 120.4° | 24.8° |
| C1 | C8 | C21 | H21A | 0.4° | 144.8° |
| C8 | C1 | C5 | H5 | 180.0° | 180.0° |
| C1 | C8 | C2 | H2 | 179.9° | 179.7° |
| C2 | C8 | C1 | C5 | 0.0° | 0.2° |
| C8 | C2 | C6 | H2 | 180.0° | 179.8° |
| C8 | C2 | C6 | C11 | 0.2° | 0.1° |
| C2 | C8 | C21 | H21 | 59.9° | 155.0° |
| C2 | C8 | C21 | H21A | 179.9° | 35.0° |
| C2 | C8 | C1 | H1 | 180.0° | 179.8° |
| C8 | C2 | C6 | H6 | 179.9° | 180.0° |
| C1 | C5 | C11 | H5 | 180.0° | 179.9° |
| C1 | C5 | C11 | C6 | 0.0° | 0.3° |
| C1 | C5 | C11 | F33 | 179.8° | 180.0° |
| C5 | C11 | C6 | C2 | 0.1° | 0.3° |
| C5 | C11 | C6 | F33 | 179.8° | 179.7° |
| C11 | C5 | C1 | H1 | 180.0° | 180.0° |
| C5 | C11 | C6 | H6 | 179.9° | 179.7° |
| C2 | C6 | C11 | H6 | 180.0° | 179.9° |
| C2 | C6 | C11 | F33 | 179.7° | 179.9° |
| C6 | C11 | C5 | H5 | 180.0° | 179.8° |
| C11 | C6 | C2 | H2 | 179.9° | 180.0° |
| F33 | C11 | C5 | H5 | 0.2° | 0.0° |
| F33 | C11 | C6 | H6 | 0.3° | 0.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H4 | C4 | C3 | H3 | 0.4° | 0.1° |
| H17 | C17 | C18 | H18 | 71.7° | 170.1° |
| H17A | C17 | C18 | H18 | 48.3° | 50.5° |
| H18 | C18 | C22 | H22 | 90.3° | 63.7° |
| H18 | C18 | C22 | H22A | 149.7° | 176.3° |
| H22 | C22 | C19 | H19 | 60.0° | 54.8° |
| H22 | C22 | C19 | H19A | 180.0° | 174.8° |
| H22 | C22 | C19 | H19B | 60.0° | 65.2° |
| H22A | C22 | C19 | H19 | 60.0° | 65.2° |
| H22A | C22 | C19 | H19A | 60.0° | 54.8° |
| H22A | C22 | C19 | H19B | 180.0° | 174.9° |
| H19 | C19 | H19A | H19B | 120.0° | 119.9° |
| H1 | C1 | C5 | H5 | 0.0° | 0.0° |
| H2 | C2 | C6 | H6 | 0.1° | 0.1° |
