2PD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | S33 | doub | 1.42Å | 1.44Å | |
| S33 | O29 | doub | 1.42Å | 1.45Å | |
| S33 | C12 | sing | 1.77Å | 1.76Å | |
| S33 | N26 | sing | 1.67Å | 1.68Å | |
| C12 | C8 | doub | 1.37Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | O32 | sing | 1.36Å | 1.38Å | |
| C11 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| O32 | C20 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| N26 | C16 | sing | 1.39Å | 1.41Å | |
| C16 | N24 | doub | 1.30Å | 1.30Å | |
| C16 | C14 | sing | 1.47Å | 1.47Å | |
| N24 | C10 | sing | 1.36Å | 1.41Å | |
| C10 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.36Å | |
| C14 | C17 | sing | 1.42Å | 1.49Å | |
| C15 | O31 | sing | 1.35Å | 1.38Å | |
| C15 | C13 | sing | 1.42Å | 1.49Å | |
| C17 | O28 | doub | 1.22Å | 1.23Å | |
| C17 | N27 | sing | 1.34Å | 1.39Å | |
| N27 | C22 | sing | 1.47Å | 1.45Å | |
| N27 | N25 | sing | 1.28Å | 1.37Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C19 | sing | 1.53Å | 1.53Å | |
| C23 | C18 | sing | 1.53Å | 1.53Å | |
| N25 | C13 | doub | 1.31Å | 1.30Å | |
| C13 | C9 | sing | 1.48Å | 1.49Å | |
| C9 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | 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 | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | 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) |
| O30 | S33 | O29 | 122.6° | 123.7° |
| O30 | S33 | C12 | 107.7° | 107.0° |
| O30 | S33 | N26 | 107.0° | 107.0° |
| O29 | S33 | C12 | 107.1° | 107.0° |
| O29 | S33 | N26 | 108.4° | 107.0° |
| C12 | S33 | N26 | 102.2° | 103.5° |
| S33 | C12 | C8 | 117.1° | 121.3° |
| S33 | C12 | C10 | 120.5° | 117.5° |
| S33 | N26 | C16 | 124.6° | 116.4° |
| S33 | N26 | HN26 | 117.7° | 121.8° |
| C8 | C12 | C10 | 122.5° | 121.2° |
| C12 | C8 | C11 | 120.1° | 119.6° |
| C12 | C8 | H8 | 119.9° | 120.2° |
| C12 | C10 | N24 | 125.6° | 121.0° |
| C12 | C10 | C6 | 116.7° | 118.7° |
| C8 | C11 | O32 | 119.5° | 120.1° |
| C8 | C11 | C7 | 118.5° | 119.9° |
| C11 | C8 | H8 | 119.9° | 120.2° |
| O32 | C11 | C7 | 122.0° | 120.1° |
| C11 | O32 | C20 | 120.4° | 117.0° |
| C11 | C7 | C6 | 120.9° | 120.6° |
| C11 | C7 | H7 | 119.6° | 119.7° |
| O32 | C20 | H20 | 109.5° | 109.4° |
| O32 | C20 | H20A | 109.4° | 109.5° |
| O32 | C20 | H20B | 109.5° | 109.5° |
| C7 | C6 | C10 | 121.4° | 120.0° |
| C6 | C7 | H7 | 119.6° | 119.7° |
| C7 | C6 | H6 | 119.3° | 120.0° |
| N26 | C16 | N24 | 125.5° | 123.3° |
| N26 | C16 | C14 | 110.6° | 118.3° |
| C16 | N26 | HN26 | 117.7° | 121.8° |
| N24 | C16 | C14 | 123.7° | 118.4° |
| C16 | N24 | C10 | 121.5° | 127.4° |
| C16 | C14 | C15 | 120.3° | 121.3° |
| C16 | C14 | C17 | 120.9° | 121.3° |
| N24 | C10 | C6 | 117.7° | 120.4° |
| C10 | C6 | H6 | 119.3° | 119.9° |
| C15 | C14 | C17 | 118.7° | 117.4° |
| C14 | C15 | O31 | 123.0° | 121.2° |
| C14 | C15 | C13 | 117.7° | 117.8° |
| C14 | C17 | O28 | 120.3° | 120.3° |
| C14 | C17 | N27 | 117.1° | 119.4° |
| O31 | C15 | C13 | 119.4° | 121.1° |
| C15 | O31 | HO31 | 109.5° | 114.0° |
| C15 | C13 | N25 | 124.1° | 120.2° |
| C15 | C13 | C9 | 115.5° | 119.9° |
| O28 | C17 | N27 | 122.6° | 120.3° |
| C17 | N27 | C22 | 121.4° | 118.9° |
| C17 | N27 | N25 | 124.3° | 122.3° |
| C22 | N27 | N25 | 114.3° | 118.8° |
| N27 | C22 | C21 | 110.3° | 109.5° |
| N27 | C22 | H22 | 109.2° | 109.5° |
| N27 | C22 | H22A | 109.0° | 109.4° |
| N27 | N25 | C13 | 118.0° | 122.9° |
| C22 | C21 | C23 | 113.1° | 109.4° |
| C21 | C22 | H22 | 109.2° | 109.5° |
| C21 | C22 | H22A | 109.0° | 109.5° |
| C22 | C21 | H21 | 108.3° | 109.4° |
| C22 | C21 | H21A | 107.4° | 109.5° |
| C21 | C23 | C19 | 111.8° | 109.5° |
| C21 | C23 | C18 | 109.0° | 109.4° |
| C23 | C21 | H21 | 108.3° | 109.5° |
| C23 | C21 | H21A | 107.4° | 109.5° |
| C21 | C23 | H23 | 108.5° | 109.5° |
| C19 | C23 | C18 | 110.3° | 109.5° |
| C19 | C23 | H23 | 107.1° | 109.5° |
| C23 | C19 | H19 | 109.5° | 109.5° |
| C23 | C19 | H19A | 109.5° | 109.5° |
| C23 | C19 | H19B | 109.4° | 109.5° |
| C18 | C23 | H23 | 110.1° | 109.5° |
| C23 | C18 | H18 | 109.5° | 109.5° |
| C23 | C18 | H18A | 109.5° | 109.5° |
| C23 | C18 | H18B | 109.4° | 109.5° |
| N25 | C13 | C9 | 120.3° | 119.9° |
| C13 | C9 | C4 | 121.9° | 120.1° |
| C13 | C9 | C5 | 118.3° | 120.1° |
| C4 | C9 | C5 | 119.7° | 119.8° |
| C9 | C4 | C2 | 119.5° | 119.8° |
| C9 | C4 | H4 | 120.2° | 120.1° |
| C9 | C5 | C3 | 120.7° | 119.9° |
| C9 | C5 | H5 | 119.6° | 120.0° |
| C4 | C2 | C1 | 120.6° | 120.1° |
| C2 | C4 | H4 | 120.2° | 120.1° |
| C4 | C2 | H2 | 119.7° | 119.9° |
| C2 | C1 | C3 | 119.9° | 120.2° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C2 | C1 | H1 | 120.0° | 119.9° |
| C5 | C3 | C1 | 119.6° | 120.1° |
| C3 | C5 | H5 | 119.7° | 120.1° |
| C5 | C3 | H3 | 120.2° | 119.9° |
| C1 | C3 | H3 | 120.2° | 119.9° |
| C3 | C1 | H1 | 120.1° | 119.9° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H22 | C22 | H22A | 110.1° | 109.4° |
| H21 | C21 | H21A | 112.4° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | S33 | O29 | C12 | 125.0° | 124.8° |
| O30 | S33 | O29 | N26 | 125.4° | 124.8° |
| O30 | S33 | C12 | N26 | 112.6° | 112.9° |
| O30 | S33 | C12 | C8 | 67.2° | 44.6° |
| O30 | S33 | C12 | C10 | 112.8° | 135.4° |
| O30 | S33 | N26 | C16 | 112.4° | 148.9° |
| O30 | S33 | N26 | HN26 | 67.7° | 31.1° |
| O29 | S33 | C12 | N26 | 113.9° | 112.8° |
| O29 | S33 | C12 | C8 | 66.3° | 89.8° |
| O29 | S33 | C12 | C10 | 113.6° | 90.2° |
| O29 | S33 | N26 | C16 | 113.6° | 76.7° |
| O29 | S33 | N26 | HN26 | 66.4° | 103.3° |
| S33 | C12 | C8 | C10 | 180.0° | 180.0° |
| S33 | C12 | C8 | C11 | 179.8° | 179.8° |
| C12 | S33 | N26 | C16 | 0.7° | 36.1° |
| S33 | C12 | C10 | N24 | 0.3° | 0.7° |
| S33 | C12 | C10 | C6 | 179.9° | 179.6° |
| S33 | C12 | C8 | H8 | 0.2° | 0.2° |
| C12 | S33 | N26 | HN26 | 179.3° | 144.0° |
| N26 | S33 | C12 | C8 | 179.8° | 157.4° |
| N26 | S33 | C12 | C10 | 0.2° | 22.6° |
| S33 | N26 | C16 | HN26 | 180.0° | 180.0° |
| S33 | N26 | C16 | N24 | 2.5° | 30.3° |
| S33 | N26 | C16 | C14 | 177.6° | 149.6° |
| C12 | C8 | C11 | H8 | 180.0° | 180.0° |
| C12 | C8 | C11 | O32 | 179.5° | 180.0° |
| C12 | C8 | C11 | C7 | 0.2° | 0.1° |
| C8 | C12 | C10 | N24 | 179.7° | 179.3° |
| C8 | C12 | C10 | C6 | 0.1° | 0.4° |
| C10 | C12 | C8 | C11 | 0.2° | 0.2° |
| C12 | C10 | C6 | C7 | 0.0° | 0.2° |
| C12 | C10 | N24 | C16 | 1.9° | 13.4° |
| C12 | C10 | N24 | C6 | 179.6° | 179.6° |
| C10 | C12 | C8 | H8 | 179.8° | 179.8° |
| C12 | C10 | C6 | H6 | 180.0° | 179.7° |
| C8 | C11 | O32 | C7 | 179.2° | 180.0° |
| C8 | C11 | O32 | C20 | 125.1° | 180.0° |
| C8 | C11 | C7 | C6 | 0.2° | 0.2° |
| C8 | C11 | C7 | H7 | 179.8° | 179.9° |
| O32 | C11 | C7 | C6 | 179.4° | 179.8° |
| O32 | C11 | C8 | H8 | 0.5° | 0.0° |
| C11 | O32 | C20 | H20 | 170.9° | 60.0° |
| C11 | O32 | C20 | H20A | 50.9° | 60.0° |
| C11 | O32 | C20 | H20B | 69.2° | 180.0° |
| O32 | C11 | C7 | H7 | 0.6° | 0.1° |
| C7 | C11 | O32 | C20 | 55.7° | 0.1° |
| C11 | C7 | C6 | H7 | 180.0° | 179.9° |
| C11 | C7 | C6 | C10 | 0.1° | 0.0° |
| C7 | C11 | C8 | H8 | 179.8° | 179.9° |
| C11 | C7 | C6 | H6 | 179.9° | 180.0° |
| O32 | C20 | H20 | H20A | 120.0° | 120.0° |
| O32 | C20 | H20 | H20B | 120.0° | 120.0° |
| O32 | C20 | H20A | H20B | 120.0° | 120.1° |
| C7 | C6 | C10 | N24 | 179.7° | 179.4° |
| C7 | C6 | C10 | H6 | 180.0° | 180.0° |
| N26 | C16 | N24 | C14 | 174.5° | 180.0° |
| N26 | C16 | N24 | C10 | 3.0° | 2.5° |
| N26 | C16 | C14 | C15 | 23.5° | 180.0° |
| N26 | C16 | C14 | C17 | 160.9° | 0.3° |
| C16 | N24 | C10 | C6 | 178.5° | 166.3° |
| N24 | C16 | C14 | C15 | 151.7° | 0.0° |
| N24 | C16 | C14 | C17 | 23.9° | 179.7° |
| N24 | C16 | N26 | HN26 | 177.5° | 149.7° |
| C14 | C16 | N24 | C10 | 177.5° | 177.4° |
| C16 | C14 | C15 | C17 | 175.7° | 179.7° |
| C16 | C14 | C15 | O31 | 3.4° | 0.0° |
| C16 | C14 | C15 | C13 | 178.0° | 180.0° |
| C16 | C14 | C17 | O28 | 3.5° | 0.0° |
| C16 | C14 | C17 | N27 | 177.5° | 180.0° |
| C14 | C16 | N26 | HN26 | 2.4° | 30.3° |
| N24 | C10 | C6 | H6 | 0.3° | 0.7° |
| C10 | C6 | C7 | H7 | 179.9° | 179.9° |
| C14 | C15 | O31 | C13 | 178.6° | 180.0° |
| C15 | C14 | C17 | O28 | 179.2° | 179.7° |
| C15 | C14 | C17 | N27 | 1.8° | 0.2° |
| C14 | C15 | C13 | N25 | 2.1° | 0.0° |
| C14 | C15 | C13 | C9 | 179.4° | 180.0° |
| C14 | C15 | O31 | HO31 | 7.4° | 174.4° |
| C17 | C14 | C15 | O31 | 179.1° | 179.7° |
| C17 | C14 | C15 | C13 | 2.3° | 0.3° |
| C14 | C17 | O28 | N27 | 179.0° | 180.0° |
| C14 | C17 | N27 | C22 | 178.9° | 180.0° |
| C14 | C17 | N27 | N25 | 0.9° | 0.0° |
| O31 | C15 | C13 | N25 | 179.3° | 179.9° |
| O31 | C15 | C13 | C9 | 2.0° | 0.1° |
| C15 | C13 | N25 | N27 | 1.2° | 0.2° |
| C15 | C13 | N25 | C9 | 177.1° | 180.0° |
| C15 | C13 | C9 | C4 | 42.7° | 139.1° |
| C15 | C13 | C9 | C5 | 133.6° | 41.2° |
| C13 | C15 | O31 | HO31 | 171.2° | 5.6° |
| O28 | C17 | N27 | C22 | 0.1° | 0.1° |
| O28 | C17 | N27 | N25 | 179.9° | 180.0° |
| C17 | N27 | C22 | N25 | 179.8° | 180.0° |
| C17 | N27 | C22 | C21 | 116.6° | 90.0° |
| C17 | N27 | N25 | C13 | 0.6° | 0.3° |
| C17 | N27 | C22 | H22 | 3.4° | 150.0° |
| C17 | N27 | C22 | H22A | 123.7° | 30.0° |
| N27 | C22 | C21 | H22 | 120.0° | 120.0° |
| N27 | C22 | C21 | H22A | 119.7° | 120.0° |
| N27 | C22 | C21 | C23 | 69.0° | 180.0° |
| C22 | N27 | N25 | C13 | 179.2° | 179.8° |
| N27 | C22 | H22 | H22A | 119.7° | 119.9° |
| N27 | C22 | C21 | H21 | 171.0° | 60.0° |
| N27 | C22 | C21 | H21A | 49.4° | 60.0° |
| N25 | N27 | C22 | C21 | 63.2° | 90.0° |
| N27 | N25 | C13 | C9 | 178.3° | 179.8° |
| N25 | N27 | C22 | H22 | 176.8° | 30.1° |
| N25 | N27 | C22 | H22A | 56.5° | 150.0° |
| C22 | C21 | C23 | H21 | 120.0° | 120.0° |
| C22 | C21 | C23 | H21A | 118.4° | 120.0° |
| C22 | C21 | C23 | C19 | 43.2° | 65.0° |
| C22 | C21 | C23 | C18 | 165.4° | 175.0° |
| C21 | C22 | H22 | H22A | 119.7° | 120.1° |
| C22 | C21 | H21 | H21A | 118.5° | 120.0° |
| C22 | C21 | C23 | H23 | 74.8° | 55.0° |
| C21 | C23 | C19 | C18 | 121.5° | 119.9° |
| C21 | C23 | C19 | H23 | 118.7° | 120.0° |
| C21 | C23 | C18 | H23 | 118.8° | 120.0° |
| C23 | C21 | C22 | H22 | 51.0° | 60.0° |
| C23 | C21 | C22 | H22A | 171.3° | 60.0° |
| C23 | C21 | H21 | H21A | 118.5° | 120.0° |
| C21 | C23 | C19 | H19 | 145.2° | 60.0° |
| C21 | C23 | C19 | H19A | 25.2° | 180.0° |
| C21 | C23 | C19 | H19B | 94.8° | 60.0° |
| C21 | C23 | C18 | H18 | 34.5° | 60.0° |
| C21 | C23 | C18 | H18A | 154.5° | 180.0° |
| C21 | C23 | C18 | H18B | 85.5° | 60.0° |
| C19 | C23 | C18 | H23 | 118.0° | 120.0° |
| C19 | C23 | C21 | H21 | 76.8° | 55.0° |
| C19 | C23 | C21 | H21A | 161.5° | 175.0° |
| C23 | C19 | H19 | H19A | 120.0° | 120.0° |
| C23 | C19 | H19 | H19B | 120.0° | 120.0° |
| C23 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | C23 | C18 | H18 | 157.6° | 180.0° |
| C19 | C23 | C18 | H18A | 82.4° | 60.1° |
| C19 | C23 | C18 | H18B | 37.6° | 60.0° |
| C18 | C23 | C21 | H21 | 45.4° | 65.0° |
| C18 | C23 | C21 | H21A | 76.2° | 55.0° |
| C18 | C23 | C19 | H19 | 93.3° | 60.0° |
| C18 | C23 | C19 | H19A | 146.7° | 60.1° |
| C18 | C23 | C19 | H19B | 26.7° | 180.0° |
| C23 | C18 | H18 | H18A | 120.0° | 120.0° |
| C23 | C18 | H18 | H18B | 120.0° | 120.0° |
| C23 | C18 | H18A | H18B | 120.0° | 120.0° |
| N25 | C13 | C9 | C4 | 139.9° | 40.9° |
| N25 | C13 | C9 | C5 | 43.8° | 138.8° |
| C13 | C9 | C4 | C5 | 176.3° | 179.7° |
| C13 | C9 | C4 | C2 | 178.1° | 180.0° |
| C13 | C9 | C5 | C3 | 178.3° | 180.0° |
| C13 | C9 | C4 | H4 | 1.8° | 0.0° |
| C13 | C9 | C5 | H5 | 1.7° | 0.1° |
| C9 | C4 | C2 | H4 | 180.0° | 180.0° |
| C9 | C4 | C2 | C1 | 1.0° | 0.0° |
| C4 | C9 | C5 | C3 | 1.9° | 0.3° |
| C9 | C4 | C2 | H2 | 179.0° | 179.9° |
| C4 | C9 | C5 | H5 | 178.1° | 179.7° |
| C5 | C9 | C4 | C2 | 1.8° | 0.3° |
| C9 | C5 | C3 | H5 | 180.0° | 179.9° |
| C9 | C5 | C3 | C1 | 1.1° | 0.0° |
| C5 | C9 | C4 | H4 | 178.1° | 179.8° |
| C9 | C5 | C3 | H3 | 178.9° | 180.0° |
| C4 | C2 | C1 | H2 | 180.0° | 180.0° |
| C4 | C2 | C1 | C3 | 0.1° | 0.2° |
| C4 | C2 | C1 | H1 | 179.9° | 180.0° |
| C2 | C1 | C3 | C5 | 0.2° | 0.3° |
| C2 | C1 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C4 | H4 | 179.0° | 180.0° |
| C2 | C1 | C3 | H3 | 179.8° | 179.7° |
| C5 | C3 | C1 | H3 | 180.0° | 180.0° |
| C5 | C3 | C1 | H1 | 179.8° | 180.0° |
| C3 | C1 | C2 | H2 | 179.8° | 179.8° |
| C1 | C3 | C5 | H5 | 178.9° | 179.9° |
| H20 | C20 | H20A | H20B | 120.0° | 119.9° |
| H7 | C7 | C6 | H6 | 0.1° | 0.1° |
| H22 | C22 | C21 | H21 | 69.0° | 180.0° |
| H22 | C22 | C21 | H21A | 169.4° | 60.0° |
| H22A | C22 | C21 | H21 | 51.3° | 60.0° |
| H22A | C22 | C21 | H21A | 70.3° | 179.9° |
| H21 | C21 | C23 | H23 | 165.2° | 175.0° |
| H21A | C21 | C23 | H23 | 43.6° | 65.0° |
| H23 | C23 | C19 | H19 | 26.5° | 180.0° |
| H23 | C23 | C19 | H19A | 93.5° | 60.0° |
| H23 | C23 | C19 | H19B | 146.5° | 60.0° |
| H23 | C23 | C18 | H18 | 84.4° | 60.0° |
| H23 | C23 | C18 | H18A | 35.6° | 60.0° |
| H23 | C23 | C18 | H18B | 155.6° | 180.0° |
| H19 | C19 | H19A | H19B | 120.0° | 119.9° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H4 | C4 | C2 | H2 | 1.0° | 0.0° |
| H2 | C2 | C1 | H1 | 0.2° | 0.0° |
| H5 | C5 | C3 | H3 | 1.1° | 0.0° |
| H3 | C3 | C1 | H1 | 0.2° | 0.1° |
