K5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C13 | sing | 1.48Å | 1.44Å | |
| C8 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | C15 | sing | 1.46Å | 1.44Å | |
| C9 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C16 | sing | 1.47Å | 1.48Å | |
| C10 | C18 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O29 | sing | 1.36Å | 1.38Å | |
| C12 | O28 | sing | 1.36Å | 1.40Å | |
| C13 | C14 | sing | 1.47Å | 1.46Å | |
| C13 | C15 | doub | 1.36Å | 1.33Å | |
| C14 | C18 | sing | 1.51Å | 1.50Å | |
| C14 | N23 | doub | 1.30Å | 1.29Å | |
| C16 | O24 | sing | 1.35Å | 1.26Å | |
| C16 | O26 | doub | 1.22Å | 1.26Å | |
| C17 | C21 | sing | 1.51Å | 1.51Å | |
| C17 | O25 | doub | 1.21Å | 1.26Å | |
| C17 | O27 | sing | 1.34Å | 1.27Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | O28 | sing | 1.43Å | 1.42Å | |
| C20 | C22 | sing | 1.53Å | 1.50Å | |
| C20 | O29 | sing | 1.43Å | 1.41Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| N23 | O30 | sing | 1.42Å | 1.39Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.9° | 120.2° |
| C1 | C2 | C5 | 120.7° | 120.2° |
| C2 | C1 | H1 | 119.6° | 119.9° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C1 | C3 | C7 | 117.9° | 120.0° |
| C3 | C1 | H1 | 119.5° | 120.0° |
| C1 | C3 | H3 | 121.1° | 120.0° |
| C2 | C5 | C10 | 118.3° | 120.2° |
| C5 | C2 | H2 | 119.6° | 119.9° |
| C2 | C5 | H5 | 120.9° | 119.9° |
| C3 | C7 | C10 | 121.1° | 119.4° |
| C3 | C7 | C13 | 132.0° | 130.7° |
| C7 | C3 | H3 | 121.0° | 120.0° |
| C6 | C4 | C8 | 120.1° | 120.2° |
| C4 | C6 | C11 | 119.0° | 120.6° |
| C6 | C4 | H4 | 119.9° | 119.9° |
| C4 | C6 | H6 | 120.5° | 119.7° |
| C4 | C8 | C9 | 121.4° | 119.5° |
| C4 | C8 | C15 | 116.3° | 120.2° |
| C8 | C4 | H4 | 120.0° | 119.9° |
| C5 | C10 | C7 | 121.1° | 120.0° |
| C5 | C10 | C18 | 125.1° | 131.1° |
| C10 | C5 | H5 | 120.9° | 119.9° |
| C6 | C11 | C12 | 121.4° | 120.2° |
| C6 | C11 | O29 | 116.5° | 119.1° |
| C11 | C6 | H6 | 120.5° | 119.7° |
| C10 | C7 | C13 | 106.9° | 109.9° |
| C7 | C10 | C18 | 113.9° | 108.9° |
| C7 | C13 | C14 | 108.9° | 108.5° |
| C7 | C13 | C15 | 134.8° | 125.8° |
| C9 | C8 | C15 | 122.3° | 120.2° |
| C8 | C9 | C12 | 118.6° | 119.5° |
| C8 | C9 | C16 | 120.6° | 120.2° |
| C8 | C15 | C13 | 126.4° | 120.0° |
| C8 | C15 | H15 | 116.8° | 120.0° |
| C12 | C9 | C16 | 120.8° | 120.3° |
| C9 | C12 | C11 | 119.5° | 119.9° |
| C9 | C12 | O28 | 117.8° | 119.3° |
| C9 | C16 | O24 | 116.6° | 120.0° |
| C9 | C16 | O26 | 117.5° | 120.0° |
| C10 | C18 | C14 | 102.0° | 106.6° |
| C10 | C18 | H181 | 111.3° | 110.1° |
| C10 | C18 | H182 | 111.3° | 110.0° |
| C12 | C11 | O29 | 122.1° | 120.6° |
| C11 | C12 | O28 | 122.7° | 120.9° |
| C11 | O29 | C20 | 102.8° | 116.7° |
| C12 | O28 | C19 | 108.9° | 116.8° |
| C14 | C13 | C15 | 116.3° | 125.8° |
| C13 | C14 | C18 | 108.2° | 106.2° |
| C13 | C14 | N23 | 126.1° | 126.9° |
| C13 | C15 | H15 | 116.8° | 120.0° |
| C18 | C14 | N23 | 125.6° | 126.9° |
| C14 | C18 | H181 | 111.3° | 110.0° |
| C14 | C18 | H182 | 111.3° | 110.0° |
| C14 | N23 | O30 | 108.4° | 120.0° |
| O24 | C16 | O26 | 125.9° | 120.0° |
| C16 | O24 | H24 | 109.5° | 117.0° |
| C21 | C17 | O25 | 112.1° | 120.1° |
| C21 | C17 | O27 | 117.9° | 120.0° |
| C17 | C21 | C22 | 102.6° | 109.5° |
| C17 | C21 | H211 | 111.2° | 109.5° |
| C17 | C21 | H212 | 111.1° | 109.4° |
| O25 | C17 | O27 | 130.0° | 119.9° |
| C17 | O27 | H27 | 109.5° | 117.0° |
| C20 | C19 | O28 | 104.5° | 108.2° |
| C19 | C20 | C22 | 114.1° | 109.7° |
| C19 | C20 | O29 | 104.5° | 108.3° |
| C20 | C19 | H191 | 110.7° | 109.7° |
| C20 | C19 | H192 | 110.7° | 109.7° |
| C19 | C20 | H20 | 108.9° | 109.7° |
| O28 | C19 | H191 | 110.7° | 109.7° |
| O28 | C19 | H192 | 110.7° | 109.7° |
| C22 | C20 | O29 | 110.2° | 109.7° |
| C20 | C22 | C21 | 109.3° | 109.5° |
| C22 | C20 | H20 | 108.9° | 109.7° |
| C20 | C22 | H221 | 109.5° | 109.5° |
| C20 | C22 | H222 | 109.5° | 109.5° |
| O29 | C20 | H20 | 110.1° | 109.7° |
| C22 | C21 | H211 | 111.1° | 109.5° |
| C22 | C21 | H212 | 111.2° | 109.4° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| N23 | O30 | H30 | 109.5° | 114.0° |
| H181 | C18 | H182 | 109.4° | 110.0° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.8° |
| H221 | C22 | H222 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.6° |
| C1 | C2 | C5 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C7 | 0.0° | 0.0° |
| C1 | C2 | C5 | C10 | 0.1° | 0.1° |
| C2 | C1 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C5 | H5 | 179.9° | 180.0° |
| C3 | C1 | C2 | C5 | 0.1° | 0.0° |
| C1 | C3 | C7 | H3 | 180.0° | 180.0° |
| C1 | C3 | C7 | C10 | 0.2° | 0.1° |
| C1 | C3 | C7 | C13 | 179.7° | 180.0° |
| C3 | C1 | C2 | H2 | 179.9° | 180.0° |
| C2 | C5 | C10 | H5 | 180.0° | 180.0° |
| C2 | C5 | C10 | C7 | 0.1° | 0.0° |
| C2 | C5 | C10 | C18 | 179.9° | 180.0° |
| C5 | C2 | C1 | H1 | 179.9° | 179.7° |
| C3 | C7 | C10 | C5 | 0.2° | 0.1° |
| C3 | C7 | C10 | C13 | 179.6° | 180.0° |
| C3 | C7 | C10 | C18 | 179.9° | 180.0° |
| C3 | C7 | C13 | C14 | 177.4° | 180.0° |
| C3 | C7 | C13 | C15 | 1.0° | 0.0° |
| C7 | C3 | C1 | H1 | 180.0° | 179.6° |
| C6 | C4 | C8 | H4 | 180.0° | 179.7° |
| C4 | C6 | C11 | H6 | 180.0° | 180.0° |
| C6 | C4 | C8 | C9 | 1.2° | 0.1° |
| C6 | C4 | C8 | C15 | 179.1° | 179.9° |
| C4 | C6 | C11 | C12 | 0.3° | 0.2° |
| C4 | C6 | C11 | O29 | 179.5° | 179.7° |
| C8 | C4 | C6 | C11 | 0.8° | 0.0° |
| C4 | C8 | C9 | C15 | 177.8° | 180.0° |
| C4 | C8 | C9 | C12 | 1.1° | 0.0° |
| C4 | C8 | C9 | C16 | 179.6° | 180.0° |
| C4 | C8 | C15 | C13 | 56.4° | 49.6° |
| C8 | C4 | C6 | H6 | 179.2° | 180.0° |
| C4 | C8 | C15 | H15 | 123.6° | 130.5° |
| C5 | C10 | C7 | C18 | 179.9° | 180.0° |
| C5 | C10 | C7 | C13 | 179.8° | 180.0° |
| C5 | C10 | C18 | C14 | 177.6° | 179.9° |
| C10 | C5 | C2 | H2 | 179.9° | 180.0° |
| C5 | C10 | C18 | H181 | 63.6° | 60.7° |
| C5 | C10 | C18 | H182 | 58.8° | 60.7° |
| C6 | C11 | C12 | C9 | 0.3° | 0.3° |
| C6 | C11 | C12 | O29 | 179.8° | 179.8° |
| C6 | C11 | C12 | O28 | 179.9° | 179.7° |
| C6 | C11 | O29 | C20 | 150.2° | 162.8° |
| C11 | C6 | C4 | H4 | 179.2° | 179.7° |
| C10 | C7 | C13 | C14 | 2.1° | 0.0° |
| C10 | C7 | C13 | C15 | 179.4° | 180.0° |
| C7 | C10 | C18 | C14 | 2.5° | 0.0° |
| C10 | C7 | C3 | H3 | 179.8° | 180.0° |
| C7 | C10 | C5 | H5 | 179.9° | 180.0° |
| C7 | C10 | C18 | H181 | 116.3° | 119.3° |
| C7 | C10 | C18 | H182 | 121.3° | 119.3° |
| C7 | C13 | C15 | C8 | 1.5° | 10.5° |
| C13 | C7 | C10 | C18 | 0.3° | 0.0° |
| C7 | C13 | C14 | C15 | 178.8° | 180.0° |
| C7 | C13 | C14 | C18 | 3.7° | 0.1° |
| C7 | C13 | C14 | N23 | 173.0° | 180.0° |
| C13 | C7 | C3 | H3 | 0.3° | 0.0° |
| C7 | C13 | C15 | H15 | 178.5° | 169.4° |
| C8 | C9 | C12 | C16 | 179.3° | 180.0° |
| C8 | C9 | C12 | C11 | 0.7° | 0.2° |
| C8 | C9 | C12 | O28 | 179.7° | 179.7° |
| C9 | C8 | C15 | C13 | 125.7° | 130.4° |
| C8 | C9 | C16 | O24 | 131.6° | 90.0° |
| C8 | C9 | C16 | O26 | 47.9° | 90.0° |
| C9 | C8 | C4 | H4 | 178.8° | 179.8° |
| C9 | C8 | C15 | H15 | 54.3° | 49.6° |
| C15 | C8 | C9 | C12 | 178.9° | 180.0° |
| C15 | C8 | C9 | C16 | 1.8° | 0.0° |
| C8 | C15 | C13 | C14 | 176.9° | 169.4° |
| C8 | C15 | C13 | H15 | 180.0° | 180.0° |
| C15 | C8 | C4 | H4 | 0.9° | 0.2° |
| C9 | C12 | C11 | O28 | 179.6° | 179.9° |
| C9 | C12 | C11 | O29 | 179.6° | 179.6° |
| C12 | C9 | C16 | O24 | 47.7° | 90.0° |
| C12 | C9 | C16 | O26 | 132.9° | 90.0° |
| C9 | C12 | O28 | C19 | 169.6° | 162.7° |
| C16 | C9 | C12 | C11 | 179.9° | 179.8° |
| C16 | C9 | C12 | O28 | 0.5° | 0.2° |
| C9 | C16 | O24 | O26 | 179.4° | 179.9° |
| C9 | C16 | O24 | H24 | 179.4° | 180.0° |
| C10 | C18 | C14 | C13 | 3.6° | 0.1° |
| C10 | C18 | C14 | H181 | 118.8° | 119.3° |
| C10 | C18 | C14 | H182 | 118.8° | 119.3° |
| C10 | C18 | C14 | N23 | 173.1° | 180.0° |
| C18 | C10 | C5 | H5 | 0.0° | 0.0° |
| C10 | C18 | H181 | H182 | 123.5° | 121.4° |
| C11 | C12 | O28 | C19 | 10.8° | 17.4° |
| C12 | C11 | O29 | C20 | 29.6° | 17.3° |
| C12 | C11 | C6 | H6 | 179.7° | 179.8° |
| O29 | C11 | C12 | O28 | 0.0° | 0.5° |
| C11 | O29 | C20 | C19 | 68.4° | 46.2° |
| C11 | O29 | C20 | C22 | 168.6° | 166.0° |
| O29 | C11 | C6 | H6 | 0.5° | 0.4° |
| C11 | O29 | C20 | H20 | 48.4° | 73.5° |
| C12 | O28 | C19 | C20 | 48.0° | 46.2° |
| C12 | O28 | C19 | H191 | 167.2° | 165.9° |
| C12 | O28 | C19 | H192 | 71.2° | 73.4° |
| C13 | C14 | C18 | N23 | 176.7° | 180.0° |
| C13 | C14 | N23 | O30 | 178.4° | 180.0° |
| C14 | C13 | C15 | H15 | 3.1° | 10.6° |
| C13 | C14 | C18 | H181 | 115.2° | 119.3° |
| C13 | C14 | C18 | H182 | 122.4° | 119.3° |
| C15 | C13 | C14 | C18 | 177.5° | 179.9° |
| C15 | C13 | C14 | N23 | 5.8° | 0.1° |
| C18 | C14 | N23 | O30 | 2.2° | 0.0° |
| C14 | C18 | H181 | H182 | 123.5° | 121.4° |
| N23 | C14 | C18 | H181 | 68.1° | 60.7° |
| N23 | C14 | C18 | H182 | 54.3° | 60.7° |
| C14 | N23 | O30 | H30 | 180.0° | 180.0° |
| O26 | C16 | O24 | H24 | 0.0° | 0.1° |
| C21 | C17 | O25 | O27 | 179.8° | 179.9° |
| C17 | C21 | C22 | C20 | 154.8° | 180.0° |
| C17 | C21 | C22 | H211 | 118.9° | 120.0° |
| C17 | C21 | C22 | H212 | 118.9° | 120.0° |
| C17 | C21 | H211 | H212 | 123.2° | 120.0° |
| C21 | C17 | O27 | H27 | 179.7° | 179.9° |
| C17 | C21 | C22 | H221 | 34.8° | 60.0° |
| C17 | C21 | C22 | H222 | 85.2° | 59.9° |
| O25 | C17 | C21 | C22 | 162.7° | 0.1° |
| O25 | C17 | C21 | H211 | 43.8° | 119.9° |
| O25 | C17 | C21 | H212 | 78.4° | 120.0° |
| O25 | C17 | O27 | H27 | 0.0° | 0.0° |
| O27 | C17 | C21 | C22 | 17.1° | 180.0° |
| O27 | C17 | C21 | H211 | 136.0° | 60.0° |
| O27 | C17 | C21 | H212 | 101.8° | 60.0° |
| C20 | C19 | O28 | H191 | 119.2° | 119.7° |
| C20 | C19 | O28 | H192 | 119.2° | 119.6° |
| C19 | C20 | C22 | O29 | 117.2° | 118.8° |
| C19 | C20 | C22 | H20 | 121.9° | 120.6° |
| C19 | C20 | O29 | H20 | 116.8° | 119.7° |
| C19 | C20 | C22 | C21 | 72.1° | 175.0° |
| C20 | C19 | H191 | H192 | 122.3° | 120.6° |
| C19 | C20 | C22 | H221 | 47.9° | 65.0° |
| C19 | C20 | C22 | H222 | 168.0° | 54.9° |
| O28 | C19 | C20 | C22 | 156.0° | 179.4° |
| O28 | C19 | C20 | O29 | 83.5° | 59.7° |
| O28 | C19 | H191 | H192 | 122.3° | 120.6° |
| O28 | C19 | C20 | H20 | 34.1° | 60.0° |
| C22 | C20 | O29 | H20 | 120.2° | 120.6° |
| C20 | C22 | C21 | H221 | 120.0° | 120.0° |
| C20 | C22 | C21 | H222 | 120.0° | 120.0° |
| C20 | C22 | C21 | H211 | 35.9° | 60.0° |
| C20 | C22 | C21 | H212 | 86.4° | 60.0° |
| C22 | C20 | C19 | H191 | 36.8° | 60.9° |
| C22 | C20 | C19 | H192 | 84.8° | 59.8° |
| C20 | C22 | H221 | H222 | 120.1° | 120.0° |
| O29 | C20 | C22 | C21 | 45.2° | 66.2° |
| O29 | C20 | C19 | H191 | 157.3° | 179.4° |
| O29 | C20 | C19 | H192 | 35.7° | 59.9° |
| O29 | C20 | C22 | H221 | 165.2° | 53.9° |
| O29 | C20 | C22 | H222 | 74.8° | 173.8° |
| C22 | C21 | H211 | H212 | 123.2° | 120.0° |
| C21 | C22 | C20 | H20 | 166.1° | 54.4° |
| C21 | C22 | H221 | H222 | 120.1° | 120.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.4° |
| H1 | C1 | C3 | H3 | 0.0° | 0.3° |
| H2 | C2 | C5 | H5 | 0.1° | 0.0° |
| H4 | C4 | C6 | H6 | 0.8° | 0.3° |
| H211 | C21 | C22 | H221 | 84.1° | 60.0° |
| H211 | C21 | C22 | H222 | 155.9° | 180.0° |
| H212 | C21 | C22 | H221 | 153.7° | 179.9° |
| H212 | C21 | C22 | H222 | 33.6° | 60.0° |
| H191 | C19 | C20 | H20 | 85.1° | 59.7° |
| H192 | C19 | C20 | H20 | 153.3° | 179.6° |
| H20 | C20 | C22 | H221 | 73.9° | 174.5° |
| H20 | C20 | C22 | H222 | 46.1° | 65.6° |
