321
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | S35 | doub | 1.42Å | 1.45Å | |
| S35 | O30 | doub | 1.42Å | 1.45Å | |
| S35 | C19 | sing | 1.81Å | 1.78Å | |
| S35 | N26 | sing | 1.66Å | 1.72Å | |
| N26 | C8 | sing | 1.40Å | 1.43Å | |
| C8 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C9 | doub | 1.37Å | 1.41Å | Aromatic |
| C9 | S34 | sing | 1.77Å | 1.78Å | |
| C9 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| S34 | O28 | doub | 1.42Å | 1.45Å | |
| S34 | O29 | doub | 1.42Å | 1.45Å | |
| S34 | C11 | sing | 1.82Å | 1.72Å | |
| C11 | C14 | sing | 1.51Å | 1.35Å | |
| C14 | N24 | doub | 1.28Å | 1.38Å | |
| C14 | C13 | sing | 1.47Å | 1.45Å | |
| N24 | C7 | sing | 1.36Å | 1.39Å | |
| C7 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C15 | doub | 1.40Å | 1.35Å | |
| C13 | C16 | sing | 1.42Å | 1.51Å | |
| C15 | O32 | sing | 1.35Å | 1.38Å | |
| C15 | C12 | sing | 1.42Å | 1.49Å | |
| C16 | O27 | doub | 1.22Å | 1.24Å | |
| C16 | N25 | sing | 1.35Å | 1.39Å | |
| N25 | C21 | sing | 1.46Å | 1.46Å | |
| N25 | N23 | sing | 1.40Å | 1.37Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C18 | sing | 1.53Å | 1.53Å | |
| C22 | C17 | sing | 1.53Å | 1.54Å | |
| N23 | C12 | doub | 1.31Å | 1.30Å | |
| C12 | C10 | sing | 1.48Å | 1.47Å | |
| C10 | C4 | doub | 1.35Å | 1.38Å | Aromatic |
| C10 | S33 | sing | 1.76Å | 1.71Å | Aromatic |
| C4 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| S33 | C6 | sing | 1.76Å | 1.71Å | Aromatic |
| C6 | C1 | doub | 1.34Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | S35 | O30 | 120.8° | 121.1° |
| O31 | S35 | C19 | 109.3° | 110.6° |
| O31 | S35 | N26 | 110.3° | 104.3° |
| O30 | S35 | C19 | 104.3° | 110.5° |
| O30 | S35 | N26 | 107.6° | 104.2° |
| C19 | S35 | N26 | 102.9° | 104.4° |
| S35 | C19 | H19 | 109.5° | 109.5° |
| S35 | C19 | H19A | 109.5° | 109.5° |
| S35 | C19 | H19B | 109.4° | 109.5° |
| S35 | N26 | C8 | 124.3° | 120.0° |
| S35 | N26 | HN26 | 104.8° | 120.0° |
| N26 | C8 | C3 | 115.8° | 120.1° |
| N26 | C8 | C5 | 124.4° | 120.0° |
| C8 | N26 | HN26 | 104.8° | 120.0° |
| C3 | C8 | C5 | 119.9° | 119.8° |
| C8 | C3 | C2 | 120.4° | 120.4° |
| C8 | C3 | H3 | 119.8° | 119.7° |
| C8 | C5 | C9 | 119.6° | 119.8° |
| C8 | C5 | H5 | 120.2° | 120.1° |
| C3 | C2 | C7 | 120.4° | 120.2° |
| C2 | C3 | H3 | 119.8° | 119.8° |
| C3 | C2 | H2 | 119.8° | 119.9° |
| C5 | C9 | S34 | 120.5° | 120.5° |
| C5 | C9 | C7 | 120.2° | 120.9° |
| C9 | C5 | H5 | 120.2° | 120.0° |
| S34 | C9 | C7 | 119.3° | 118.6° |
| C9 | S34 | O28 | 107.2° | 104.6° |
| C9 | S34 | O29 | 108.3° | 104.6° |
| C9 | S34 | C11 | 106.1° | 102.3° |
| C9 | C7 | N24 | 122.4° | 121.7° |
| C9 | C7 | C2 | 119.4° | 118.8° |
| O28 | S34 | O29 | 120.4° | 121.3° |
| O28 | S34 | C11 | 106.2° | 110.9° |
| O29 | S34 | C11 | 107.9° | 110.8° |
| S34 | C11 | C14 | 120.8° | 108.2° |
| S34 | C11 | H11 | 105.9° | 109.8° |
| S34 | C11 | H11A | 103.2° | 109.7° |
| C11 | C14 | N24 | 125.5° | 123.9° |
| C11 | C14 | C13 | 118.9° | 118.1° |
| C14 | C11 | H11 | 105.9° | 109.7° |
| C14 | C11 | H11A | 103.2° | 109.7° |
| N24 | C14 | C13 | 115.5° | 118.0° |
| C14 | N24 | C7 | 126.0° | 128.3° |
| C14 | C13 | C15 | 124.5° | 120.6° |
| C14 | C13 | C16 | 117.6° | 120.6° |
| N24 | C7 | C2 | 118.2° | 119.5° |
| C7 | C2 | H2 | 119.8° | 119.9° |
| C15 | C13 | C16 | 117.9° | 118.8° |
| C13 | C15 | O32 | 123.6° | 120.4° |
| C13 | C15 | C12 | 118.7° | 119.1° |
| C13 | C16 | O27 | 120.4° | 120.2° |
| C13 | C16 | N25 | 116.5° | 119.5° |
| O32 | C15 | C12 | 117.6° | 120.4° |
| C15 | O32 | HO32 | 109.5° | 114.1° |
| C15 | C12 | N23 | 122.5° | 120.4° |
| C15 | C12 | C10 | 118.0° | 119.8° |
| O27 | C16 | N25 | 123.1° | 120.2° |
| C16 | N25 | C21 | 120.5° | 119.6° |
| C16 | N25 | N23 | 123.6° | 120.9° |
| C21 | N25 | N23 | 114.2° | 119.6° |
| N25 | C21 | C20 | 112.8° | 109.5° |
| N25 | C21 | H21 | 108.4° | 109.5° |
| N25 | C21 | H21A | 107.6° | 109.5° |
| N25 | N23 | C12 | 118.8° | 121.3° |
| C21 | C20 | C22 | 116.5° | 109.5° |
| C20 | C21 | H21 | 108.3° | 109.4° |
| C20 | C21 | H21A | 107.6° | 109.4° |
| C21 | C20 | H20 | 107.2° | 109.5° |
| C21 | C20 | H20A | 105.6° | 109.4° |
| C20 | C22 | C18 | 113.1° | 109.5° |
| C20 | C22 | C17 | 111.7° | 109.5° |
| C22 | C20 | H20 | 107.2° | 109.5° |
| C22 | C20 | H20A | 105.6° | 109.5° |
| C20 | C22 | H22 | 105.2° | 109.4° |
| C18 | C22 | C17 | 109.0° | 109.5° |
| C18 | C22 | H22 | 108.1° | 109.5° |
| C22 | C18 | H18 | 109.5° | 109.5° |
| C22 | C18 | H18A | 109.4° | 109.5° |
| C22 | C18 | H18B | 109.5° | 109.5° |
| C17 | C22 | H22 | 109.6° | 109.5° |
| C22 | C17 | H17 | 109.5° | 109.5° |
| C22 | C17 | H17A | 109.5° | 109.5° |
| C22 | C17 | H17B | 109.5° | 109.5° |
| N23 | C12 | C10 | 118.4° | 119.8° |
| C12 | C10 | C4 | 129.3° | 125.3° |
| C12 | C10 | S33 | 118.5° | 125.3° |
| C4 | C10 | S33 | 112.2° | 109.4° |
| C10 | C4 | C1 | 111.7° | 114.7° |
| C10 | C4 | H4 | 124.1° | 122.7° |
| C10 | S33 | C6 | 91.9° | 91.0° |
| C4 | C1 | C6 | 112.4° | 115.0° |
| C1 | C4 | H4 | 124.1° | 122.6° |
| C4 | C1 | H1 | 123.8° | 122.5° |
| S33 | C6 | C1 | 111.8° | 109.8° |
| S33 | C6 | H6 | 124.1° | 125.1° |
| C1 | C6 | H6 | 124.1° | 125.1° |
| C6 | C1 | H1 | 123.8° | 122.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H11 | C11 | H11A | 118.8° | 109.7° |
| H21 | C21 | H21A | 112.1° | 109.5° |
| H20 | C20 | H20A | 115.1° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H17 | C17 | H17B | 109.4° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | S35 | O30 | C19 | 123.3° | 131.6° |
| O31 | S35 | O30 | N26 | 127.8° | 116.8° |
| O31 | S35 | C19 | N26 | 117.2° | 111.6° |
| O31 | S35 | N26 | C8 | 49.8° | 51.0° |
| O31 | S35 | C19 | H19 | 76.0° | 51.6° |
| O31 | S35 | C19 | H19A | 164.0° | 171.6° |
| O31 | S35 | C19 | H19B | 44.0° | 68.4° |
| O31 | S35 | N26 | HN26 | 70.2° | 128.9° |
| O30 | S35 | C19 | N26 | 112.3° | 111.6° |
| O30 | S35 | N26 | C8 | 176.5° | 178.9° |
| O30 | S35 | C19 | H19 | 153.6° | 171.6° |
| O30 | S35 | C19 | H19A | 33.6° | 51.6° |
| O30 | S35 | C19 | H19B | 86.5° | 68.4° |
| O30 | S35 | N26 | HN26 | 63.5° | 1.0° |
| C19 | S35 | N26 | C8 | 66.7° | 65.1° |
| S35 | C19 | H19 | H19A | 120.0° | 120.0° |
| S35 | C19 | H19 | H19B | 120.0° | 120.0° |
| S35 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | S35 | N26 | HN26 | 173.3° | 115.0° |
| S35 | N26 | C8 | HN26 | 120.0° | 179.9° |
| S35 | N26 | C8 | C3 | 176.7° | 45.0° |
| S35 | N26 | C8 | C5 | 3.4° | 135.3° |
| N26 | S35 | C19 | H19 | 41.3° | 60.0° |
| N26 | S35 | C19 | H19A | 78.7° | 60.0° |
| N26 | S35 | C19 | H19B | 161.2° | 180.0° |
| N26 | C8 | C3 | C5 | 179.9° | 179.8° |
| N26 | C8 | C3 | C2 | 179.9° | 179.9° |
| N26 | C8 | C5 | C9 | 179.9° | 179.9° |
| N26 | C8 | C3 | H3 | 0.1° | 0.2° |
| N26 | C8 | C5 | H5 | 0.1° | 0.2° |
| C8 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C8 | C5 | C9 | 0.3° | 0.3° |
| C8 | C3 | C2 | C7 | 0.3° | 0.0° |
| C3 | C8 | N26 | HN26 | 63.3° | 135.0° |
| C3 | C8 | C5 | H5 | 179.8° | 179.6° |
| C8 | C3 | C2 | H2 | 179.7° | 180.0° |
| C5 | C8 | C3 | C2 | 0.3° | 0.4° |
| C8 | C5 | C9 | H5 | 180.0° | 179.9° |
| C8 | C5 | C9 | S34 | 179.6° | 179.8° |
| C8 | C5 | C9 | C7 | 0.3° | 0.1° |
| C5 | C8 | N26 | HN26 | 116.6° | 44.8° |
| C5 | C8 | C3 | H3 | 179.8° | 179.6° |
| C3 | C2 | C7 | C9 | 0.3° | 0.4° |
| C3 | C2 | C7 | N24 | 179.9° | 179.6° |
| C3 | C2 | C7 | H2 | 180.0° | 180.0° |
| C5 | C9 | S34 | C7 | 179.3° | 179.9° |
| C5 | C9 | S34 | O28 | 67.1° | 35.5° |
| C5 | C9 | S34 | O29 | 64.2° | 93.1° |
| C5 | C9 | S34 | C11 | 179.7° | 151.2° |
| C5 | C9 | C7 | N24 | 179.9° | 179.6° |
| C5 | C9 | C7 | C2 | 0.4° | 0.5° |
| C9 | S34 | O28 | O29 | 124.2° | 117.7° |
| C9 | S34 | O28 | C11 | 113.1° | 109.6° |
| C9 | S34 | O29 | C11 | 114.4° | 109.6° |
| C9 | S34 | C11 | C14 | 1.1° | 42.4° |
| S34 | C9 | C7 | N24 | 0.8° | 0.5° |
| S34 | C9 | C7 | C2 | 179.6° | 179.4° |
| S34 | C9 | C5 | H5 | 0.4° | 0.1° |
| C9 | S34 | C11 | H11 | 118.9° | 162.1° |
| C9 | S34 | C11 | H11A | 115.5° | 77.3° |
| C7 | C9 | S34 | O28 | 112.2° | 144.6° |
| C7 | C9 | S34 | O29 | 116.5° | 86.8° |
| C7 | C9 | S34 | C11 | 1.0° | 28.9° |
| C9 | C7 | N24 | C14 | 0.6° | 18.8° |
| C9 | C7 | N24 | C2 | 179.6° | 179.9° |
| C7 | C9 | C5 | H5 | 179.7° | 180.0° |
| C9 | C7 | C2 | H2 | 179.7° | 179.5° |
| O28 | S34 | O29 | C11 | 121.9° | 132.7° |
| O28 | S34 | C11 | C14 | 112.8° | 153.5° |
| O28 | S34 | C11 | H11 | 127.2° | 86.8° |
| O28 | S34 | C11 | H11A | 1.6° | 33.8° |
| O29 | S34 | C11 | C14 | 116.9° | 68.7° |
| O29 | S34 | C11 | H11 | 3.1° | 51.0° |
| O29 | S34 | C11 | H11A | 128.7° | 171.6° |
| S34 | C11 | C14 | H11 | 120.0° | 119.7° |
| S34 | C11 | C14 | H11A | 114.4° | 119.7° |
| S34 | C11 | C14 | N24 | 1.0° | 35.2° |
| S34 | C11 | C14 | C13 | 179.6° | 144.8° |
| S34 | C11 | H11 | H11A | 115.4° | 120.6° |
| C11 | C14 | N24 | C13 | 178.6° | 180.0° |
| C11 | C14 | N24 | C7 | 0.7° | 2.4° |
| C11 | C14 | C13 | C15 | 16.8° | 85.2° |
| C11 | C14 | C13 | C16 | 166.0° | 94.6° |
| C14 | C11 | H11 | H11A | 115.3° | 120.6° |
| C14 | N24 | C7 | C2 | 179.8° | 161.3° |
| N24 | C14 | C13 | C15 | 162.0° | 94.8° |
| N24 | C14 | C13 | C16 | 15.3° | 85.5° |
| N24 | C14 | C11 | H11 | 119.0° | 154.9° |
| N24 | C14 | C11 | H11A | 115.5° | 84.5° |
| C13 | C14 | N24 | C7 | 179.3° | 177.6° |
| C14 | C13 | C15 | C16 | 177.2° | 179.7° |
| C14 | C13 | C15 | O32 | 11.9° | 0.0° |
| C14 | C13 | C15 | C12 | 167.3° | 180.0° |
| C14 | C13 | C16 | O27 | 8.2° | 0.0° |
| C14 | C13 | C16 | N25 | 171.5° | 179.9° |
| C13 | C14 | C11 | H11 | 59.6° | 25.0° |
| C13 | C14 | C11 | H11A | 66.0° | 95.6° |
| N24 | C7 | C2 | H2 | 0.1° | 0.4° |
| C7 | C2 | C3 | H3 | 179.7° | 180.0° |
| C13 | C15 | O32 | C12 | 179.3° | 179.9° |
| C15 | C13 | C16 | O27 | 174.4° | 179.8° |
| C15 | C13 | C16 | N25 | 5.9° | 0.2° |
| C13 | C15 | C12 | N23 | 1.8° | 0.0° |
| C13 | C15 | C12 | C10 | 166.4° | 180.0° |
| C13 | C15 | O32 | HO32 | 167.2° | 174.4° |
| C16 | C13 | C15 | O32 | 170.8° | 179.7° |
| C16 | C13 | C15 | C12 | 9.9° | 0.2° |
| C13 | C16 | O27 | N25 | 179.7° | 180.0° |
| C13 | C16 | N25 | C21 | 171.1° | 180.0° |
| C13 | C16 | N25 | N23 | 6.9° | 0.1° |
| O32 | C15 | C12 | N23 | 178.9° | 180.0° |
| O32 | C15 | C12 | C10 | 12.9° | 0.1° |
| C15 | C12 | N23 | N25 | 10.9° | 0.3° |
| C15 | C12 | N23 | C10 | 168.2° | 179.9° |
| C15 | C12 | C10 | C4 | 32.5° | 143.3° |
| C15 | C12 | C10 | S33 | 146.4° | 37.0° |
| C12 | C15 | O32 | HO32 | 13.6° | 5.5° |
| O27 | C16 | N25 | C21 | 8.6° | 0.1° |
| O27 | C16 | N25 | N23 | 172.8° | 180.0° |
| C16 | N25 | C21 | N23 | 165.6° | 179.9° |
| C16 | N25 | C21 | C20 | 87.1° | 90.0° |
| C16 | N25 | N23 | C12 | 15.4° | 0.4° |
| C16 | N25 | C21 | H21 | 32.9° | 150.1° |
| C16 | N25 | C21 | H21A | 154.4° | 30.0° |
| N25 | C21 | C20 | H21 | 120.0° | 120.0° |
| N25 | C21 | C20 | H21A | 118.6° | 120.0° |
| N25 | C21 | C20 | C22 | 49.4° | 180.0° |
| C21 | N25 | N23 | C12 | 179.5° | 179.7° |
| N25 | C21 | H21 | H21A | 118.7° | 120.1° |
| N25 | C21 | C20 | H20 | 70.6° | 59.9° |
| N25 | C21 | C20 | H20A | 166.2° | 60.0° |
| N23 | N25 | C21 | C20 | 107.3° | 89.9° |
| N25 | N23 | C12 | C10 | 179.1° | 179.7° |
| N23 | N25 | C21 | H21 | 132.7° | 30.0° |
| N23 | N25 | C21 | H21A | 11.2° | 150.1° |
| C21 | C20 | C22 | H20 | 120.0° | 120.0° |
| C21 | C20 | C22 | H20A | 116.7° | 120.0° |
| C21 | C20 | C22 | C18 | 164.9° | 65.0° |
| C21 | C20 | C22 | C17 | 71.7° | 175.0° |
| C20 | C21 | H21 | H21A | 118.6° | 119.9° |
| C21 | C20 | H20 | H20A | 117.1° | 119.9° |
| C21 | C20 | C22 | H22 | 47.2° | 55.0° |
| C20 | C22 | C18 | C17 | 124.9° | 120.0° |
| C20 | C22 | C18 | H22 | 116.0° | 119.9° |
| C20 | C22 | C17 | H22 | 116.2° | 120.0° |
| C22 | C20 | C21 | H21 | 169.4° | 60.0° |
| C22 | C20 | C21 | H21A | 69.2° | 60.0° |
| C22 | C20 | H20 | H20A | 117.1° | 120.0° |
| C20 | C22 | C18 | H18 | 53.2° | 179.9° |
| C20 | C22 | C18 | H18A | 66.8° | 60.0° |
| C20 | C22 | C18 | H18B | 173.1° | 60.0° |
| C20 | C22 | C17 | H17 | 112.3° | 60.0° |
| C20 | C22 | C17 | H17A | 7.7° | 180.0° |
| C20 | C22 | C17 | H17B | 127.7° | 60.0° |
| C18 | C22 | C17 | H22 | 118.1° | 120.0° |
| C18 | C22 | C20 | H20 | 44.9° | 55.1° |
| C18 | C22 | C20 | H20A | 78.3° | 175.0° |
| C22 | C18 | H18 | H18A | 120.0° | 120.0° |
| C22 | C18 | H18 | H18B | 120.0° | 120.0° |
| C22 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C22 | C17 | H17 | 13.4° | 180.0° |
| C18 | C22 | C17 | H17A | 133.4° | 60.0° |
| C18 | C22 | C17 | H17B | 106.5° | 60.0° |
| C17 | C22 | C20 | H20 | 168.3° | 65.0° |
| C17 | C22 | C20 | H20A | 45.1° | 55.0° |
| C17 | C22 | C18 | H18 | 178.0° | 60.0° |
| C17 | C22 | C18 | H18A | 58.0° | 180.0° |
| C17 | C22 | C18 | H18B | 62.0° | 60.0° |
| C22 | C17 | H17 | H17A | 120.0° | 120.0° |
| C22 | C17 | H17 | H17B | 120.0° | 120.1° |
| C22 | C17 | H17A | H17B | 120.0° | 120.0° |
| N23 | C12 | C10 | C4 | 158.7° | 36.7° |
| N23 | C12 | C10 | S33 | 22.3° | 142.9° |
| C12 | C10 | C4 | S33 | 179.0° | 179.7° |
| C12 | C10 | C4 | C1 | 179.3° | 180.0° |
| C12 | C10 | S33 | C6 | 179.3° | 179.9° |
| C12 | C10 | C4 | H4 | 0.7° | 0.1° |
| C10 | C4 | C1 | H4 | 180.0° | 179.9° |
| C4 | C10 | S33 | C6 | 0.2° | 0.2° |
| C10 | C4 | C1 | C6 | 0.4° | 0.1° |
| C10 | C4 | C1 | H1 | 179.6° | 179.9° |
| S33 | C10 | C4 | C1 | 0.4° | 0.2° |
| C10 | S33 | C6 | C1 | 0.0° | 0.1° |
| S33 | C10 | C4 | H4 | 179.6° | 179.8° |
| C10 | S33 | C6 | H6 | 179.9° | 180.0° |
| C4 | C1 | C6 | S33 | 0.3° | 0.0° |
| C4 | C1 | C6 | H1 | 180.0° | 179.9° |
| C4 | C1 | C6 | H6 | 179.7° | 179.9° |
| S33 | C6 | C1 | H6 | 180.0° | 179.8° |
| S33 | C6 | C1 | H1 | 179.7° | 179.9° |
| C6 | C1 | C4 | H4 | 179.6° | 179.9° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H3 | C3 | C2 | H2 | 0.3° | 0.0° |
| H21 | C21 | C20 | H20 | 49.4° | 180.0° |
| H21 | C21 | C20 | H20A | 73.8° | 60.1° |
| H21A | C21 | C20 | H20 | 170.8° | 60.1° |
| H21A | C21 | C20 | H20A | 47.6° | 180.0° |
| H20 | C20 | C22 | H22 | 72.9° | 175.0° |
| H20A | C20 | C22 | H22 | 163.9° | 65.1° |
| H22 | C22 | C18 | H18 | 62.9° | 60.0° |
| H22 | C22 | C18 | H18A | 177.1° | 60.0° |
| H22 | C22 | C18 | H18B | 57.1° | 179.9° |
| H22 | C22 | C17 | H17 | 131.6° | 60.0° |
| H22 | C22 | C17 | H17A | 108.4° | 60.0° |
| H22 | C22 | C17 | H17B | 11.6° | 180.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H4 | C4 | C1 | H1 | 0.4° | 0.0° |
| H6 | C6 | C1 | H1 | 0.3° | 0.0° |
