KG8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C5 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | N1 | sing | 1.46Å | 1.47Å | |
| C3 | C1 | sing | 1.53Å | 1.53Å | |
| N1 | C17 | sing | 1.36Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.37Å | Aromatic |
| C17 | C7 | doub | 1.35Å | 1.36Å | Aromatic |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C2 | sing | 1.51Å | 1.46Å | |
| C6 | N2 | doub | 1.30Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | N2 | sing | 1.34Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C5 | C4 | 112.3° | 109.5° |
| O4 | C5 | H2 | 108.8° | 109.5° |
| O4 | C5 | H3 | 108.8° | 109.5° |
| C5 | O4 | H17 | 109.5° | 114.0° |
| C5 | C4 | C3 | 108.9° | 109.6° |
| C5 | C4 | N1 | 112.7° | 109.6° |
| C5 | C4 | H1 | 107.7° | 109.7° |
| C4 | C5 | H2 | 108.7° | 109.4° |
| C4 | C5 | H3 | 108.8° | 109.4° |
| O3 | C3 | C4 | 107.0° | 109.4° |
| O3 | C3 | C1 | 108.5° | 109.5° |
| O3 | C3 | H15 | 109.9° | 109.5° |
| C3 | O3 | H16 | 109.5° | 114.0° |
| C3 | C4 | N1 | 111.8° | 108.8° |
| C4 | C3 | C1 | 114.7° | 109.5° |
| C3 | C4 | H1 | 107.2° | 109.6° |
| C4 | C3 | H15 | 108.1° | 109.5° |
| C4 | N1 | C17 | 127.8° | 127.8° |
| C4 | N1 | C6 | 125.3° | 124.8° |
| N1 | C4 | H1 | 108.3° | 109.6° |
| C3 | C1 | O1 | 110.4° | 109.5° |
| C3 | C1 | C2 | 109.9° | 109.1° |
| C3 | C1 | H12 | 107.9° | 109.7° |
| C1 | C3 | H15 | 108.4° | 109.4° |
| C17 | N1 | C6 | 106.6° | 107.4° |
| N1 | C17 | C7 | 107.8° | 106.7° |
| N1 | C17 | H10 | 126.1° | 126.7° |
| N1 | C6 | C2 | 121.6° | 124.0° |
| N1 | C6 | N2 | 110.2° | 108.6° |
| C17 | C7 | C8 | 130.4° | 126.0° |
| C17 | C7 | N2 | 108.6° | 108.0° |
| C7 | C17 | H10 | 126.1° | 126.6° |
| O1 | C1 | C2 | 111.2° | 109.5° |
| C1 | O1 | H11 | 109.5° | 114.0° |
| O1 | C1 | H12 | 109.3° | 109.5° |
| C1 | C2 | C6 | 107.1° | 108.2° |
| C1 | C2 | O2 | 113.9° | 109.7° |
| C2 | C1 | H12 | 108.0° | 109.5° |
| C1 | C2 | H13 | 107.3° | 109.8° |
| C15 | C16 | C11 | 120.7° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C16 | C15 | H9 | 119.9° | 120.0° |
| C15 | C16 | H22 | 119.7° | 120.0° |
| C16 | C11 | C10 | 121.0° | 120.0° |
| C16 | C11 | C12 | 118.3° | 120.0° |
| C11 | C16 | H22 | 119.6° | 120.0° |
| C10 | C9 | C8 | 114.2° | 109.4° |
| C9 | C10 | C11 | 114.5° | 109.4° |
| C9 | C10 | H6 | 108.2° | 109.5° |
| C9 | C10 | H7 | 108.2° | 109.5° |
| C10 | C9 | H18 | 108.3° | 109.5° |
| C10 | C9 | H19 | 108.3° | 109.5° |
| C9 | C8 | C7 | 114.0° | 109.4° |
| C9 | C8 | H4 | 108.3° | 109.5° |
| C9 | C8 | H5 | 108.3° | 109.5° |
| C8 | C9 | H18 | 108.3° | 109.5° |
| C8 | C9 | H19 | 108.3° | 109.5° |
| C2 | C6 | N2 | 128.0° | 127.4° |
| C6 | C2 | O2 | 111.8° | 109.7° |
| C6 | C2 | H13 | 108.0° | 109.7° |
| C6 | N2 | C7 | 106.7° | 109.2° |
| C10 | C11 | C12 | 120.7° | 120.0° |
| C11 | C10 | H6 | 108.2° | 109.4° |
| C11 | C10 | H7 | 108.2° | 109.5° |
| C8 | C7 | N2 | 120.9° | 126.0° |
| C7 | C8 | H4 | 108.3° | 109.4° |
| C7 | C8 | H5 | 108.3° | 109.5° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C14 | C15 | H9 | 119.9° | 120.0° |
| C15 | C14 | H21 | 120.0° | 119.9° |
| O2 | C2 | H13 | 108.5° | 109.7° |
| C2 | O2 | H14 | 109.5° | 114.0° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C11 | C12 | H20 | 119.6° | 119.9° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | H8 | 119.9° | 120.0° |
| C13 | C14 | H21 | 120.1° | 120.1° |
| C12 | C13 | H8 | 120.0° | 120.0° |
| C13 | C12 | H20 | 119.6° | 120.1° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.4° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.6° |
| H18 | C9 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C5 | C4 | H2 | 120.4° | 120.1° |
| O4 | C5 | C4 | H3 | 120.4° | 120.0° |
| O4 | C5 | C4 | C3 | 172.7° | 175.0° |
| O4 | C5 | C4 | N1 | 47.9° | 65.6° |
| O4 | C5 | C4 | H1 | 71.4° | 54.7° |
| O4 | C5 | H2 | H3 | 118.7° | 120.1° |
| C5 | C4 | C3 | O3 | 93.7° | 69.8° |
| C5 | C4 | C3 | N1 | 125.3° | 119.8° |
| C5 | C4 | C3 | H1 | 116.2° | 120.4° |
| C5 | C4 | N1 | H1 | 119.0° | 120.4° |
| C5 | C4 | C3 | C1 | 145.8° | 170.1° |
| C5 | C4 | N1 | C17 | 67.7° | 43.0° |
| C5 | C4 | N1 | C6 | 119.7° | 136.6° |
| C4 | C5 | H2 | H3 | 118.7° | 119.9° |
| C5 | C4 | C3 | H15 | 24.7° | 50.1° |
| C4 | C5 | O4 | H17 | 180.0° | 180.0° |
| O3 | C3 | C4 | C1 | 120.5° | 120.1° |
| O3 | C3 | C4 | H15 | 118.4° | 120.0° |
| O3 | C3 | C4 | N1 | 141.0° | 170.3° |
| O3 | C3 | C1 | H15 | 119.4° | 120.0° |
| O3 | C3 | C1 | O1 | 63.8° | 50.6° |
| O3 | C3 | C1 | C2 | 173.2° | 170.4° |
| O3 | C3 | C4 | H1 | 22.5° | 50.6° |
| O3 | C3 | C1 | H12 | 55.6° | 69.6° |
| C3 | C4 | N1 | H1 | 117.9° | 119.8° |
| C4 | C3 | C1 | H15 | 121.0° | 120.0° |
| C3 | C4 | N1 | C17 | 169.2° | 162.8° |
| C3 | C4 | N1 | C6 | 3.5° | 16.8° |
| C4 | C3 | C1 | O1 | 176.6° | 170.6° |
| C4 | C3 | C1 | C2 | 53.5° | 69.6° |
| C3 | C4 | C5 | H2 | 52.3° | 55.0° |
| C3 | C4 | C5 | H3 | 66.9° | 65.0° |
| C4 | C3 | C1 | H12 | 64.1° | 50.4° |
| C4 | C3 | O3 | H16 | 180.0° | 180.0° |
| N1 | C4 | C3 | C1 | 20.5° | 50.3° |
| C4 | N1 | C17 | C6 | 173.8° | 179.7° |
| C4 | N1 | C17 | C7 | 177.7° | 179.6° |
| C4 | N1 | C6 | C2 | 7.1° | 0.4° |
| C4 | N1 | C6 | N2 | 177.3° | 179.7° |
| N1 | C4 | C5 | H2 | 72.5° | 174.3° |
| N1 | C4 | C5 | H3 | 168.3° | 54.3° |
| C4 | N1 | C17 | H10 | 2.2° | 0.3° |
| N1 | C4 | C3 | H15 | 100.6° | 69.7° |
| C3 | C1 | O1 | C2 | 122.3° | 119.6° |
| C3 | C1 | O1 | H12 | 118.6° | 120.3° |
| C3 | C1 | C2 | H12 | 117.5° | 120.1° |
| C3 | C1 | C2 | C6 | 60.5° | 49.0° |
| C3 | C1 | C2 | O2 | 175.4° | 168.6° |
| C1 | C3 | C4 | H1 | 98.0° | 69.5° |
| C3 | C1 | O1 | H11 | 180.0° | 179.7° |
| C3 | C1 | C2 | H13 | 55.3° | 70.7° |
| C1 | C3 | O3 | H16 | 55.6° | 59.9° |
| N1 | C17 | C7 | H10 | 180.0° | 180.0° |
| C17 | N1 | C6 | C2 | 178.9° | 179.9° |
| C17 | N1 | C6 | N2 | 3.3° | 0.0° |
| N1 | C17 | C7 | C8 | 179.5° | 180.0° |
| N1 | C17 | C7 | N2 | 3.3° | 0.0° |
| C17 | N1 | C4 | H1 | 51.3° | 77.4° |
| C6 | N1 | C17 | C7 | 4.0° | 0.0° |
| N1 | C6 | C2 | C1 | 39.2° | 16.0° |
| N1 | C6 | C2 | N2 | 174.8° | 179.9° |
| N1 | C6 | N2 | C7 | 1.3° | 0.0° |
| N1 | C6 | C2 | O2 | 164.7° | 135.6° |
| C6 | N1 | C4 | H1 | 121.4° | 103.0° |
| C6 | N1 | C17 | H10 | 176.0° | 180.0° |
| N1 | C6 | C2 | H13 | 76.0° | 103.8° |
| C17 | C7 | C8 | C9 | 8.5° | 125.1° |
| C17 | C7 | N2 | C6 | 1.3° | 0.0° |
| C17 | C7 | C8 | N2 | 177.0° | 179.9° |
| C17 | C7 | C8 | H4 | 112.2° | 115.0° |
| C17 | C7 | C8 | H5 | 129.2° | 5.1° |
| O1 | C1 | C2 | H12 | 119.9° | 120.1° |
| O1 | C1 | C2 | C6 | 176.9° | 168.8° |
| O1 | C1 | C2 | O2 | 52.8° | 71.6° |
| O1 | C1 | C2 | H13 | 67.3° | 49.1° |
| O1 | C1 | C3 | H15 | 55.6° | 69.4° |
| C1 | C2 | C6 | O2 | 125.4° | 119.7° |
| C1 | C2 | C6 | H13 | 115.3° | 119.7° |
| C1 | C2 | C6 | N2 | 146.0° | 164.0° |
| C1 | C2 | O2 | H13 | 119.4° | 120.7° |
| C2 | C1 | O1 | H11 | 57.7° | 60.1° |
| C1 | C2 | O2 | H14 | 180.0° | 178.7° |
| C2 | C1 | C3 | H15 | 67.4° | 50.4° |
| C15 | C16 | C11 | H22 | 180.0° | 179.7° |
| C15 | C16 | C11 | C10 | 179.7° | 179.8° |
| C16 | C15 | C14 | H9 | 180.0° | 179.9° |
| C15 | C16 | C11 | C12 | 0.1° | 0.3° |
| C16 | C15 | C14 | C13 | 0.2° | 0.1° |
| C16 | C15 | C14 | H21 | 179.8° | 180.0° |
| C16 | C11 | C10 | C9 | 121.2° | 90.0° |
| C16 | C11 | C10 | C12 | 179.6° | 179.9° |
| C11 | C16 | C15 | C14 | 0.1° | 0.3° |
| C16 | C11 | C12 | C13 | 0.0° | 0.0° |
| C16 | C11 | C10 | H6 | 118.1° | 150.0° |
| C16 | C11 | C10 | H7 | 0.4° | 29.9° |
| C11 | C16 | C15 | H9 | 179.8° | 179.7° |
| C16 | C11 | C12 | H20 | 180.0° | 180.0° |
| C10 | C9 | C8 | H18 | 120.7° | 120.0° |
| C10 | C9 | C8 | H19 | 120.7° | 120.0° |
| C9 | C10 | C11 | H6 | 120.7° | 120.0° |
| C9 | C10 | C11 | H7 | 120.7° | 120.0° |
| C10 | C9 | C8 | C7 | 89.0° | 180.0° |
| C9 | C10 | C11 | C12 | 59.2° | 90.0° |
| C10 | C9 | C8 | H4 | 31.7° | 60.1° |
| C10 | C9 | C8 | H5 | 150.4° | 60.0° |
| C9 | C10 | H6 | H7 | 117.7° | 120.0° |
| C10 | C9 | H18 | H19 | 117.9° | 120.0° |
| C8 | C9 | C10 | C11 | 119.4° | 180.0° |
| C9 | C8 | C7 | H4 | 120.7° | 120.0° |
| C9 | C8 | C7 | H5 | 120.7° | 120.0° |
| C9 | C8 | C7 | N2 | 174.5° | 55.1° |
| C9 | C8 | H4 | H5 | 117.9° | 120.0° |
| C8 | C9 | C10 | H6 | 1.4° | 60.0° |
| C8 | C9 | C10 | H7 | 119.9° | 60.1° |
| C8 | C9 | H18 | H19 | 117.9° | 120.0° |
| C2 | C6 | N2 | C7 | 176.6° | 179.9° |
| C6 | C2 | O2 | H13 | 119.0° | 120.6° |
| C6 | C2 | C1 | H12 | 57.0° | 71.1° |
| C6 | C2 | O2 | H14 | 58.4° | 60.0° |
| C6 | N2 | C7 | C8 | 178.8° | 179.9° |
| N2 | C6 | C2 | O2 | 20.5° | 44.3° |
| N2 | C6 | C2 | H13 | 98.8° | 76.3° |
| C10 | C11 | C12 | C13 | 179.7° | 180.0° |
| C11 | C10 | H6 | H7 | 117.7° | 120.0° |
| C11 | C10 | C9 | H18 | 1.3° | 60.0° |
| C11 | C10 | C9 | H19 | 119.9° | 60.0° |
| C10 | C11 | C12 | H20 | 0.3° | 0.1° |
| C10 | C11 | C16 | H22 | 0.3° | 0.1° |
| C7 | C8 | H4 | H5 | 117.9° | 120.0° |
| C8 | C7 | C17 | H10 | 0.5° | 0.1° |
| C7 | C8 | C9 | H18 | 150.3° | 60.0° |
| C7 | C8 | C9 | H19 | 31.7° | 60.0° |
| N2 | C7 | C8 | H4 | 64.8° | 64.9° |
| N2 | C7 | C8 | H5 | 53.8° | 175.0° |
| N2 | C7 | C17 | H10 | 176.7° | 180.0° |
| C15 | C14 | C13 | H21 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.1° | 0.2° |
| C15 | C14 | C13 | H8 | 179.9° | 180.0° |
| C14 | C15 | C16 | H22 | 179.8° | 180.0° |
| O2 | C2 | C1 | H12 | 67.1° | 48.5° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C11 | C12 | C13 | H20 | 180.0° | 180.0° |
| C12 | C11 | C10 | H6 | 61.6° | 29.9° |
| C12 | C11 | C10 | H7 | 179.9° | 150.0° |
| C11 | C12 | C13 | H8 | 179.9° | 180.0° |
| C12 | C11 | C16 | H22 | 179.9° | 180.0° |
| C14 | C13 | C12 | H8 | 180.0° | 179.8° |
| C13 | C14 | C15 | H9 | 179.8° | 180.0° |
| C14 | C13 | C12 | H20 | 179.9° | 179.8° |
| C12 | C13 | C14 | H21 | 179.9° | 179.7° |
| H1 | C4 | C5 | H2 | 168.2° | 65.4° |
| H1 | C4 | C5 | H3 | 49.0° | 174.6° |
| H1 | C4 | C3 | H15 | 140.9° | 170.5° |
| H2 | C5 | O4 | H17 | 59.6° | 60.0° |
| H3 | C5 | O4 | H17 | 59.6° | 60.1° |
| H4 | C8 | C9 | H18 | 89.0° | 179.9° |
| H4 | C8 | C9 | H19 | 152.5° | 59.9° |
| H5 | C8 | C9 | H18 | 29.7° | 60.0° |
| H5 | C8 | C9 | H19 | 88.9° | 180.0° |
| H6 | C10 | C9 | H18 | 122.0° | 179.9° |
| H6 | C10 | C9 | H19 | 119.4° | 59.9° |
| H7 | C10 | C9 | H18 | 119.5° | 60.0° |
| H7 | C10 | C9 | H19 | 0.9° | 180.0° |
| H8 | C13 | C12 | H20 | 0.1° | 0.0° |
| H8 | C13 | C14 | H21 | 0.1° | 0.1° |
| H9 | C15 | C14 | H21 | 0.2° | 0.0° |
| H9 | C15 | C16 | H22 | 0.2° | 0.0° |
| H11 | O1 | C1 | H12 | 61.5° | 60.1° |
| H12 | C1 | C2 | H13 | 172.8° | 169.2° |
| H12 | C1 | C3 | H15 | 175.0° | 170.4° |
| H13 | C2 | O2 | H14 | 60.6° | 60.6° |
| H15 | C3 | O3 | H16 | 62.8° | 60.0° |
