3MS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C9 | sing | 1.37Å | 1.40Å | Aromatic |
| C6 | N22 | sing | 1.36Å | 1.37Å | Aromatic |
| C6 | C1 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | N21 | sing | 1.36Å | 1.40Å | |
| C7 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | N25 | sing | 1.40Å | 1.43Å | |
| C8 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.42Å | 1.41Å | |
| C10 | N22 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | N23 | sing | 1.39Å | 1.41Å | |
| C13 | N21 | doub | 1.30Å | 1.31Å | |
| C13 | C12 | sing | 1.47Å | 1.47Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | S33 | sing | 1.81Å | 1.78Å | |
| C20 | C18 | sing | 1.53Å | 1.56Å | |
| C20 | C16 | sing | 1.53Å | 1.54Å | |
| O30 | S33 | doub | 1.42Å | 1.45Å | |
| S33 | O29 | doub | 1.42Å | 1.45Å | |
| S33 | N25 | sing | 1.66Å | 1.71Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | S32 | sing | 1.77Å | 1.75Å | |
| S32 | O27 | doub | 1.42Å | 1.45Å | |
| S32 | O28 | doub | 1.42Å | 1.44Å | |
| S32 | N23 | sing | 1.67Å | 1.68Å | |
| C12 | C11 | doub | 1.40Å | 1.36Å | |
| C12 | C14 | sing | 1.47Å | 1.50Å | |
| C11 | O31 | sing | 1.35Å | 1.37Å | |
| C14 | O26 | doub | 1.22Å | 1.23Å | |
| C14 | N24 | sing | 1.35Å | 1.39Å | |
| N24 | N22 | sing | 1.40Å | 1.40Å | |
| N24 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | 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 | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C4 | C1 | 107.4° | 107.0° |
| C4 | C10 | C11 | 134.0° | 131.8° |
| C4 | C10 | N22 | 107.1° | 107.7° |
| C10 | C4 | H4 | 126.3° | 126.5° |
| C4 | C1 | C6 | 108.1° | 107.9° |
| C1 | C4 | H4 | 126.3° | 126.5° |
| C4 | C1 | H1 | 126.0° | 126.0° |
| C8 | C5 | C9 | 118.6° | 119.7° |
| C5 | C8 | N25 | 121.2° | 120.1° |
| C5 | C8 | C3 | 120.4° | 119.8° |
| C8 | C5 | H5 | 120.7° | 120.2° |
| C5 | C9 | C7 | 122.4° | 121.2° |
| C5 | C9 | S32 | 119.7° | 121.3° |
| C9 | C5 | H5 | 120.7° | 120.2° |
| N22 | C6 | C1 | 106.8° | 109.1° |
| C6 | N22 | C10 | 110.5° | 108.3° |
| C6 | N22 | N24 | 126.2° | 131.0° |
| N22 | C6 | H6 | 126.6° | 125.5° |
| C1 | C6 | H6 | 126.6° | 125.5° |
| C6 | C1 | H1 | 125.9° | 126.1° |
| C9 | C7 | N21 | 123.6° | 121.0° |
| C9 | C7 | C2 | 118.1° | 118.7° |
| C7 | C9 | S32 | 117.9° | 117.5° |
| N21 | C7 | C2 | 118.3° | 120.3° |
| C7 | N21 | C13 | 120.9° | 127.4° |
| C7 | C2 | C3 | 120.4° | 120.0° |
| C7 | C2 | H2 | 119.8° | 120.0° |
| N25 | C8 | C3 | 118.4° | 120.0° |
| C8 | N25 | S33 | 121.7° | 120.0° |
| C8 | N25 | HN25 | 105.6° | 120.0° |
| C8 | C3 | C2 | 120.2° | 120.6° |
| C8 | C3 | H3 | 119.9° | 119.7° |
| C11 | C10 | N22 | 118.9° | 120.5° |
| C10 | C11 | C12 | 120.6° | 119.2° |
| C10 | C11 | O31 | 113.2° | 120.4° |
| C10 | N22 | N24 | 123.2° | 120.7° |
| N23 | C13 | N21 | 124.0° | 123.3° |
| N23 | C13 | C12 | 113.2° | 118.3° |
| C13 | N23 | S32 | 120.6° | 116.4° |
| C13 | N23 | HN23 | 119.7° | 121.8° |
| N21 | C13 | C12 | 122.8° | 118.4° |
| C13 | C12 | C11 | 123.2° | 120.6° |
| C13 | C12 | C14 | 117.1° | 120.6° |
| C15 | C20 | C18 | 109.3° | 109.5° |
| C15 | C20 | C16 | 108.8° | 109.5° |
| C20 | C15 | H15 | 109.5° | 109.5° |
| C20 | C15 | H15A | 109.5° | 109.4° |
| C20 | C15 | H15B | 109.4° | 109.5° |
| C15 | C20 | H20 | 112.0° | 109.4° |
| C17 | S33 | O30 | 106.8° | 110.5° |
| C17 | S33 | O29 | 107.1° | 110.5° |
| C17 | S33 | N25 | 99.8° | 104.5° |
| S33 | C17 | H17 | 109.5° | 109.5° |
| S33 | C17 | H17A | 109.4° | 109.5° |
| S33 | C17 | H17B | 109.5° | 109.5° |
| C18 | C20 | C16 | 114.7° | 109.5° |
| C20 | C18 | C19 | 120.6° | 109.5° |
| C18 | C20 | H20 | 105.8° | 109.5° |
| C20 | C18 | H18 | 105.9° | 109.5° |
| C20 | C18 | H18A | 103.3° | 109.4° |
| C16 | C20 | H20 | 106.3° | 109.5° |
| C20 | C16 | H16 | 109.5° | 109.4° |
| C20 | C16 | H16A | 109.5° | 109.5° |
| C20 | C16 | H16B | 109.4° | 109.4° |
| O30 | S33 | O29 | 121.1° | 121.0° |
| O30 | S33 | N25 | 112.5° | 104.3° |
| O29 | S33 | N25 | 107.4° | 104.3° |
| S33 | N25 | HN25 | 105.6° | 120.0° |
| C2 | C3 | H3 | 119.9° | 119.7° |
| C3 | C2 | H2 | 119.8° | 120.0° |
| C9 | S32 | O27 | 110.1° | 106.9° |
| C9 | S32 | O28 | 103.5° | 107.0° |
| C9 | S32 | N23 | 102.2° | 103.4° |
| O27 | S32 | O28 | 122.4° | 123.7° |
| O27 | S32 | N23 | 107.7° | 107.0° |
| O28 | S32 | N23 | 109.2° | 107.1° |
| S32 | N23 | HN23 | 119.7° | 121.8° |
| C11 | C12 | C14 | 119.7° | 118.8° |
| C12 | C11 | O31 | 126.1° | 120.4° |
| C12 | C14 | O26 | 117.9° | 120.1° |
| C12 | C14 | N24 | 117.7° | 119.8° |
| C11 | O31 | HO31 | 109.5° | 114.0° |
| O26 | C14 | N24 | 124.1° | 120.1° |
| C14 | N24 | N22 | 119.1° | 121.0° |
| C14 | N24 | C19 | 119.0° | 119.5° |
| N22 | N24 | C19 | 121.8° | 119.5° |
| N24 | C19 | C18 | 112.2° | 109.5° |
| N24 | C19 | H19 | 108.6° | 109.4° |
| N24 | C19 | H19A | 108.0° | 109.4° |
| C18 | C19 | H19 | 108.6° | 109.5° |
| C18 | C19 | H19A | 108.0° | 109.5° |
| C19 | C18 | H18 | 105.9° | 109.5° |
| C19 | C18 | H18A | 103.3° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| H19 | C19 | H19A | 111.6° | 109.5° |
| H18 | C18 | H18A | 118.7° | 109.5° |
| H16 | C16 | H16A | 109.4° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C4 | C1 | H4 | 180.0° | 179.8° |
| C4 | C10 | N22 | C6 | 0.6° | 0.0° |
| C10 | C4 | C1 | C6 | 0.1° | 0.0° |
| C4 | C10 | C11 | N22 | 179.3° | 179.9° |
| C4 | C10 | C11 | C12 | 173.7° | 179.9° |
| C4 | C10 | C11 | O31 | 8.6° | 0.1° |
| C4 | C10 | N22 | N24 | 179.7° | 180.0° |
| C10 | C4 | C1 | H1 | 179.9° | 180.0° |
| C4 | C1 | C6 | N22 | 0.5° | 0.0° |
| C4 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C4 | C10 | C11 | 179.7° | 180.0° |
| C1 | C4 | C10 | N22 | 0.3° | 0.0° |
| C4 | C1 | C6 | H6 | 179.6° | 180.0° |
| C8 | C5 | C9 | H5 | 180.0° | 179.8° |
| C8 | C5 | C9 | C7 | 0.0° | 0.4° |
| C5 | C8 | N25 | C3 | 179.4° | 179.9° |
| C5 | C8 | N25 | S33 | 40.6° | 133.9° |
| C5 | C8 | C3 | C2 | 0.3° | 0.2° |
| C8 | C5 | C9 | S32 | 178.1° | 179.2° |
| C5 | C8 | N25 | HN25 | 79.4° | 46.1° |
| C5 | C8 | C3 | H3 | 179.7° | 179.8° |
| C5 | C9 | C7 | S32 | 178.1° | 179.5° |
| C5 | C9 | C7 | N21 | 179.6° | 179.1° |
| C5 | C9 | C7 | C2 | 0.1° | 0.6° |
| C9 | C5 | C8 | N25 | 179.5° | 180.0° |
| C9 | C5 | C8 | C3 | 0.1° | 0.1° |
| C5 | C9 | S32 | O27 | 43.3° | 89.8° |
| C5 | C9 | S32 | O28 | 89.0° | 44.6° |
| C5 | C9 | S32 | N23 | 157.5° | 157.4° |
| N22 | C6 | C1 | H6 | 180.0° | 180.0° |
| C6 | N22 | C10 | C11 | 179.9° | 180.0° |
| C6 | N22 | C10 | N24 | 179.6° | 180.0° |
| C6 | N22 | N24 | C14 | 177.3° | 180.0° |
| C6 | N22 | N24 | C19 | 0.4° | 0.1° |
| N22 | C6 | C1 | H1 | 179.6° | 180.0° |
| C1 | C6 | N22 | C10 | 0.7° | 0.0° |
| C1 | C6 | N22 | N24 | 179.7° | 180.0° |
| C6 | C1 | C4 | H4 | 179.9° | 179.8° |
| C9 | C7 | N21 | C2 | 179.5° | 179.7° |
| C9 | C7 | N21 | C13 | 26.3° | 13.0° |
| C9 | C7 | C2 | C3 | 0.3° | 0.4° |
| C7 | C9 | S32 | O27 | 138.5° | 89.7° |
| C7 | C9 | S32 | O28 | 89.1° | 135.9° |
| C7 | C9 | S32 | N23 | 24.3° | 23.0° |
| C7 | C9 | C5 | H5 | 180.0° | 179.8° |
| C9 | C7 | C2 | H2 | 179.7° | 179.6° |
| C7 | N21 | C13 | N23 | 24.3° | 2.4° |
| C7 | N21 | C13 | C12 | 155.8° | 177.6° |
| N21 | C7 | C2 | C3 | 179.8° | 179.3° |
| N21 | C7 | C9 | S32 | 1.5° | 1.4° |
| N21 | C7 | C2 | H2 | 0.2° | 0.7° |
| C7 | C2 | C3 | C8 | 0.4° | 0.0° |
| C2 | C7 | N21 | C13 | 154.1° | 166.7° |
| C7 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C7 | C9 | S32 | 178.0° | 179.0° |
| C7 | C2 | C3 | H3 | 179.6° | 180.0° |
| C8 | N25 | S33 | C17 | 101.1° | 60.9° |
| C8 | N25 | S33 | O30 | 11.7° | 177.0° |
| C8 | N25 | S33 | O29 | 147.4° | 55.1° |
| C8 | N25 | S33 | HN25 | 120.0° | 179.9° |
| N25 | C8 | C3 | C2 | 179.7° | 179.8° |
| N25 | C8 | C5 | H5 | 0.5° | 0.2° |
| N25 | C8 | C3 | H3 | 0.3° | 0.1° |
| C3 | C8 | N25 | S33 | 140.0° | 46.0° |
| C8 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C8 | C5 | H5 | 179.9° | 179.7° |
| C3 | C8 | N25 | HN25 | 100.0° | 134.0° |
| C8 | C3 | C2 | H2 | 179.6° | 180.0° |
| C10 | C11 | C12 | C13 | 167.8° | 179.9° |
| C10 | C11 | C12 | O31 | 177.3° | 180.0° |
| C10 | C11 | C12 | C14 | 10.6° | 0.0° |
| C11 | C10 | N22 | N24 | 0.3° | 0.1° |
| C11 | C10 | C4 | H4 | 0.3° | 0.2° |
| C10 | C11 | O31 | HO31 | 162.6° | 178.1° |
| N22 | C10 | C11 | C12 | 7.0° | 0.0° |
| N22 | C10 | C11 | O31 | 170.7° | 180.0° |
| C10 | N22 | N24 | C14 | 2.3° | 0.0° |
| C10 | N22 | N24 | C19 | 180.0° | 180.0° |
| N22 | C10 | C4 | H4 | 179.7° | 179.8° |
| C10 | N22 | C6 | H6 | 179.3° | 180.0° |
| N23 | C13 | N21 | C12 | 180.0° | 180.0° |
| C13 | N23 | S32 | C9 | 27.1° | 36.1° |
| C13 | N23 | S32 | O27 | 143.0° | 76.6° |
| C13 | N23 | S32 | O28 | 82.1° | 148.9° |
| C13 | N23 | S32 | HN23 | 180.0° | 180.0° |
| N23 | C13 | C12 | C11 | 11.1° | 114.2° |
| N23 | C13 | C12 | C14 | 167.4° | 65.9° |
| N21 | C13 | N23 | S32 | 5.8° | 30.1° |
| N21 | C13 | C12 | C11 | 168.8° | 65.8° |
| N21 | C13 | C12 | C14 | 12.7° | 114.1° |
| N21 | C13 | N23 | HN23 | 174.1° | 149.9° |
| C12 | C13 | N23 | S32 | 174.1° | 149.9° |
| C13 | C12 | C11 | C14 | 178.5° | 179.9° |
| C13 | C12 | C11 | O31 | 14.8° | 0.0° |
| C13 | C12 | C14 | O26 | 3.4° | 0.1° |
| C13 | C12 | C14 | N24 | 170.8° | 180.0° |
| C12 | C13 | N23 | HN23 | 5.9° | 30.1° |
| C15 | C20 | C18 | C16 | 122.4° | 120.0° |
| C15 | C20 | C18 | H20 | 120.8° | 119.9° |
| C15 | C20 | C16 | H20 | 120.8° | 120.0° |
| C15 | C20 | C18 | C19 | 173.9° | 65.0° |
| C20 | C15 | H15 | H15A | 120.0° | 120.0° |
| C20 | C15 | H15 | H15B | 120.0° | 120.0° |
| C20 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C20 | C18 | H18 | 53.9° | 55.0° |
| C15 | C20 | C18 | H18A | 71.6° | 175.0° |
| C15 | C20 | C16 | H16 | 5.3° | 60.0° |
| C15 | C20 | C16 | H16A | 114.7° | 180.0° |
| C15 | C20 | C16 | H16B | 125.3° | 60.0° |
| C17 | S33 | O30 | O29 | 122.7° | 131.5° |
| C17 | S33 | O30 | N25 | 108.4° | 111.8° |
| C17 | S33 | O29 | N25 | 106.4° | 111.7° |
| S33 | C17 | H17 | H17A | 120.0° | 120.0° |
| S33 | C17 | H17 | H17B | 120.0° | 120.0° |
| S33 | C17 | H17A | H17B | 120.0° | 120.0° |
| C17 | S33 | N25 | HN25 | 18.9° | 119.0° |
| C18 | C20 | C16 | H20 | 116.5° | 120.0° |
| C20 | C18 | C19 | N24 | 46.6° | 180.0° |
| C20 | C18 | C19 | H18 | 120.0° | 120.0° |
| C20 | C18 | C19 | H18A | 114.5° | 120.0° |
| C18 | C20 | C15 | H15 | 37.8° | 60.0° |
| C18 | C20 | C15 | H15A | 157.8° | 60.0° |
| C18 | C20 | C15 | H15B | 82.2° | 180.0° |
| C20 | C18 | C19 | H19 | 73.4° | 60.1° |
| C20 | C18 | C19 | H19A | 165.4° | 60.0° |
| C20 | C18 | H18 | H18A | 115.4° | 120.0° |
| C18 | C20 | C16 | H16 | 117.4° | 180.0° |
| C18 | C20 | C16 | H16A | 122.6° | 60.0° |
| C18 | C20 | C16 | H16B | 2.6° | 60.0° |
| C16 | C20 | C18 | C19 | 63.7° | 175.0° |
| C16 | C20 | C15 | H15 | 163.6° | 60.0° |
| C16 | C20 | C15 | H15A | 76.4° | 180.0° |
| C16 | C20 | C15 | H15B | 43.6° | 60.0° |
| C16 | C20 | C18 | H18 | 176.3° | 65.0° |
| C16 | C20 | C18 | H18A | 50.9° | 55.0° |
| C20 | C16 | H16 | H16A | 120.0° | 120.0° |
| C20 | C16 | H16 | H16B | 120.0° | 119.9° |
| C20 | C16 | H16A | H16B | 120.0° | 120.0° |
| O30 | S33 | O29 | N25 | 131.1° | 116.7° |
| O30 | S33 | C17 | H17 | 109.3° | 63.1° |
| O30 | S33 | C17 | H17A | 10.7° | 176.9° |
| O30 | S33 | C17 | H17B | 130.8° | 56.9° |
| O30 | S33 | N25 | HN25 | 131.7° | 2.9° |
| O29 | S33 | C17 | H17 | 21.8° | 160.2° |
| O29 | S33 | C17 | H17A | 141.8° | 40.1° |
| O29 | S33 | C17 | H17B | 98.2° | 79.8° |
| O29 | S33 | N25 | HN25 | 92.6° | 124.9° |
| N25 | S33 | C17 | H17 | 133.6° | 48.6° |
| N25 | S33 | C17 | H17A | 106.5° | 71.5° |
| N25 | S33 | C17 | H17B | 13.6° | 168.6° |
| C9 | S32 | O27 | O28 | 121.7° | 124.8° |
| C9 | S32 | O27 | N23 | 110.6° | 110.3° |
| C9 | S32 | O28 | N23 | 108.3° | 110.4° |
| S32 | C9 | C5 | H5 | 1.9° | 0.6° |
| C9 | S32 | N23 | HN23 | 152.9° | 143.9° |
| O27 | S32 | O28 | N23 | 127.0° | 124.9° |
| O27 | S32 | N23 | HN23 | 37.0° | 103.4° |
| O28 | S32 | N23 | HN23 | 98.0° | 31.1° |
| C11 | C12 | C14 | O26 | 178.0° | 180.0° |
| C11 | C12 | C14 | N24 | 7.8° | 0.0° |
| C12 | C11 | O31 | HO31 | 19.9° | 1.9° |
| C14 | C12 | C11 | O31 | 166.7° | 180.0° |
| C12 | C14 | O26 | N24 | 173.8° | 180.0° |
| C12 | C14 | N24 | N22 | 1.3° | 0.0° |
| C12 | C14 | N24 | C19 | 176.4° | 179.9° |
| O26 | C14 | N24 | N22 | 175.1° | 180.0° |
| O26 | C14 | N24 | C19 | 2.6° | 0.0° |
| C14 | N24 | N22 | C19 | 177.6° | 179.9° |
| C14 | N24 | C19 | C18 | 99.8° | 90.0° |
| C14 | N24 | C19 | H19 | 20.3° | 150.0° |
| C14 | N24 | C19 | H19A | 141.4° | 30.0° |
| N22 | N24 | C19 | C18 | 82.6° | 89.9° |
| N24 | N22 | C6 | H6 | 0.3° | 0.0° |
| N22 | N24 | C19 | H19 | 157.4° | 30.1° |
| N22 | N24 | C19 | H19A | 36.3° | 150.0° |
| N24 | C19 | C18 | H19 | 120.0° | 120.0° |
| N24 | C19 | C18 | H19A | 118.8° | 120.0° |
| N24 | C19 | H19 | H19A | 118.9° | 119.9° |
| N24 | C19 | C18 | H18 | 73.4° | 60.0° |
| N24 | C19 | C18 | H18A | 161.1° | 60.0° |
| C19 | C18 | C20 | H20 | 53.2° | 54.9° |
| C18 | C19 | H19 | H19A | 118.9° | 120.1° |
| C19 | C18 | H18 | H18A | 115.4° | 120.0° |
| H4 | C4 | C1 | H1 | 0.1° | 0.2° |
| H6 | C6 | C1 | H1 | 0.4° | 0.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.1° |
| H15 | C15 | C20 | H20 | 79.1° | 180.0° |
| H15A | C15 | C20 | H20 | 40.9° | 60.0° |
| H15B | C15 | C20 | H20 | 160.9° | 60.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H20 | C20 | C18 | H18 | 66.8° | 175.0° |
| H20 | C20 | C18 | H18A | 167.7° | 65.0° |
| H20 | C20 | C16 | H16 | 126.1° | 60.0° |
| H20 | C20 | C16 | H16A | 6.1° | 60.0° |
| H20 | C20 | C16 | H16B | 113.9° | 180.0° |
| H3 | C3 | C2 | H2 | 0.4° | 0.0° |
| H19 | C19 | C18 | H18 | 166.6° | 59.9° |
| H19 | C19 | C18 | H18A | 41.1° | 180.0° |
| H19A | C19 | C18 | H18 | 45.4° | 180.0° |
| H19A | C19 | C18 | H18A | 80.0° | 60.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.1° |
