KC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C2 | doub | 1.22Å | 1.23Å | |
| N1 | C2 | sing | 1.34Å | 1.33Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C2 | N | sing | 1.34Å | 1.33Å | |
| C3 | C1 | sing | 1.54Å | 1.51Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C4 | sing | 1.51Å | 1.45Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.42Å | |
| C10 | N2 | doub | 1.31Å | 1.35Å | |
| C10 | N3 | sing | 1.37Å | 1.40Å | |
| N2 | C11 | sing | 1.35Å | 1.36Å | |
| N3 | C17 | sing | 1.35Å | 1.39Å | |
| C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.47Å | 1.41Å | |
| C17 | O2 | doub | 1.22Å | 1.23Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C2 | N1 | 123.0° | 123.0° |
| O | C2 | N | 123.0° | 123.0° |
| C2 | N1 | C3 | 109.6° | 109.2° |
| N1 | C2 | N | 114.0° | 113.9° |
| C2 | N1 | H15 | 125.2° | 125.5° |
| N1 | C3 | C1 | 103.0° | 103.9° |
| N1 | C3 | H1 | 111.1° | 110.6° |
| C3 | N1 | H15 | 125.2° | 125.4° |
| N1 | C3 | H16 | 111.1° | 110.5° |
| C2 | N | C1 | 107.9° | 109.2° |
| C2 | N | H2 | 126.1° | 125.4° |
| C3 | C1 | N | 104.8° | 103.8° |
| C3 | C1 | C | 110.0° | 110.6° |
| C3 | C1 | C4 | 112.2° | 110.5° |
| C1 | C3 | H1 | 111.1° | 110.6° |
| C1 | C3 | H16 | 111.0° | 110.5° |
| N | C1 | C | 100.8° | 110.4° |
| N | C1 | C4 | 115.5° | 110.7° |
| C1 | N | H2 | 126.1° | 125.4° |
| C | C1 | C4 | 112.6° | 110.6° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C4 | C5 | 121.1° | 119.8° |
| C1 | C4 | C9 | 121.5° | 119.9° |
| C5 | C4 | C9 | 117.4° | 120.3° |
| C4 | C5 | C6 | 121.9° | 120.1° |
| C4 | C5 | H6 | 119.0° | 120.0° |
| C4 | C9 | C8 | 121.3° | 120.2° |
| C4 | C9 | H8 | 119.4° | 119.9° |
| C5 | C6 | C7 | 120.6° | 119.8° |
| C6 | C5 | H6 | 119.1° | 119.9° |
| C5 | C6 | H7 | 119.7° | 120.0° |
| C9 | C8 | C7 | 121.6° | 119.8° |
| C8 | C9 | H8 | 119.4° | 119.9° |
| C9 | C8 | H9 | 119.2° | 120.0° |
| C6 | C7 | C8 | 117.1° | 119.7° |
| C6 | C7 | C10 | 121.1° | 120.2° |
| C7 | C6 | H7 | 119.7° | 120.1° |
| C8 | C7 | C10 | 121.6° | 120.1° |
| C7 | C8 | H9 | 119.2° | 120.1° |
| C7 | C10 | N2 | 121.2° | 118.4° |
| C7 | C10 | N3 | 121.5° | 118.5° |
| N2 | C10 | N3 | 117.1° | 123.1° |
| C10 | N2 | C11 | 122.0° | 121.7° |
| C10 | N3 | C17 | 123.1° | 120.4° |
| C10 | N3 | H10 | 118.4° | 119.8° |
| N2 | C11 | C16 | 117.9° | 121.5° |
| N2 | C11 | C12 | 122.2° | 119.2° |
| N3 | C17 | C12 | 118.4° | 117.4° |
| N3 | C17 | O2 | 118.0° | 121.3° |
| C17 | N3 | H10 | 118.5° | 119.7° |
| C16 | C11 | C12 | 119.7° | 119.3° |
| C11 | C16 | C15 | 120.3° | 119.7° |
| C11 | C16 | H11 | 119.9° | 120.2° |
| C11 | C12 | C17 | 117.0° | 118.2° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C16 | C15 | C14 | 119.8° | 120.8° |
| C15 | C16 | H11 | 119.9° | 120.1° |
| C16 | C15 | H12 | 120.1° | 119.6° |
| C12 | C17 | O2 | 123.6° | 121.3° |
| C17 | C12 | C13 | 122.1° | 121.8° |
| C12 | C13 | C14 | 119.1° | 119.6° |
| C12 | C13 | H14 | 120.5° | 120.2° |
| C15 | C14 | C13 | 120.3° | 120.6° |
| C14 | C15 | H12 | 120.1° | 119.6° |
| C15 | C14 | H13 | 119.9° | 119.7° |
| C13 | C14 | H13 | 119.9° | 119.7° |
| C14 | C13 | H14 | 120.4° | 120.2° |
| H1 | C3 | H16 | 109.5° | 110.6° |
| H3 | C | H4 | 109.4° | 109.4° |
| H3 | C | H5 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C2 | N1 | N | 179.6° | 179.8° |
| O | C2 | N1 | C3 | 179.9° | 180.0° |
| O | C2 | N | C1 | 174.4° | 179.9° |
| O | C2 | N | H2 | 5.5° | 0.0° |
| O | C2 | N1 | H15 | 0.1° | 0.0° |
| C2 | N1 | C3 | H15 | 180.0° | 180.0° |
| C2 | N1 | C3 | C1 | 5.7° | 0.0° |
| N1 | C2 | N | C1 | 5.1° | 0.4° |
| C2 | N1 | C3 | H1 | 113.3° | 118.6° |
| N1 | C2 | N | H2 | 174.9° | 179.7° |
| C2 | N1 | C3 | H16 | 124.6° | 118.6° |
| C3 | N1 | C2 | N | 0.6° | 0.3° |
| N1 | C3 | C1 | H1 | 119.0° | 118.7° |
| N1 | C3 | C1 | H16 | 119.0° | 118.5° |
| N1 | C3 | C1 | N | 8.2° | 0.2° |
| N1 | C3 | C1 | C | 99.4° | 118.6° |
| N1 | C3 | C1 | C4 | 134.4° | 118.6° |
| N1 | C3 | H1 | H16 | 123.0° | 122.8° |
| C2 | N | C1 | C3 | 8.3° | 0.3° |
| C2 | N | C1 | H2 | 180.0° | 179.9° |
| C2 | N | C1 | C | 105.9° | 118.9° |
| C2 | N | C1 | C4 | 132.4° | 118.3° |
| N | C2 | N1 | H15 | 179.4° | 179.8° |
| C3 | C1 | N | C | 114.3° | 118.6° |
| C3 | C1 | N | C4 | 124.0° | 118.6° |
| C3 | C1 | C | C4 | 126.0° | 122.8° |
| C3 | C1 | C4 | C5 | 93.0° | 149.9° |
| C3 | C1 | C4 | C9 | 87.8° | 29.7° |
| C1 | C3 | H1 | H16 | 123.0° | 122.7° |
| C3 | C1 | N | H2 | 171.7° | 179.8° |
| C3 | C1 | C | H3 | 180.0° | 60.0° |
| C3 | C1 | C | H4 | 60.0° | 180.0° |
| C3 | C1 | C | H5 | 60.0° | 60.0° |
| C1 | C3 | N1 | H15 | 174.3° | 180.0° |
| N | C1 | C | C4 | 123.7° | 122.9° |
| N | C1 | C4 | C5 | 27.1° | 35.4° |
| N | C1 | C4 | C9 | 152.1° | 144.3° |
| N | C1 | C3 | H1 | 110.7° | 118.8° |
| N | C1 | C | H3 | 69.7° | 54.3° |
| N | C1 | C | H4 | 170.3° | 65.6° |
| N | C1 | C | H5 | 50.3° | 174.3° |
| N | C1 | C3 | H16 | 127.2° | 118.4° |
| C | C1 | C4 | C5 | 142.2° | 87.2° |
| C | C1 | C4 | C9 | 36.9° | 93.1° |
| C | C1 | C3 | H1 | 141.6° | 122.8° |
| C | C1 | N | H2 | 74.0° | 61.3° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C | C1 | C3 | H16 | 19.6° | 0.0° |
| C1 | C4 | C5 | C9 | 179.2° | 179.7° |
| C1 | C4 | C5 | C6 | 179.5° | 180.0° |
| C1 | C4 | C9 | C8 | 178.8° | 179.9° |
| C4 | C1 | C3 | H1 | 15.4° | 0.0° |
| C4 | C1 | N | H2 | 47.7° | 61.5° |
| C4 | C1 | C | H3 | 54.0° | 177.2° |
| C4 | C1 | C | H4 | 65.9° | 57.2° |
| C4 | C1 | C | H5 | 174.1° | 62.8° |
| C1 | C4 | C5 | H6 | 0.5° | 0.0° |
| C1 | C4 | C9 | H8 | 1.2° | 0.0° |
| C4 | C1 | C3 | H16 | 106.6° | 122.8° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 0.4° | 0.3° |
| C4 | C5 | C6 | C7 | 0.5° | 0.1° |
| C4 | C5 | C6 | H7 | 179.5° | 179.9° |
| C5 | C4 | C9 | H8 | 179.6° | 179.7° |
| C9 | C4 | C5 | C6 | 1.3° | 0.3° |
| C4 | C9 | C8 | H8 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 2.8° | 0.0° |
| C9 | C4 | C5 | H6 | 178.7° | 179.7° |
| C4 | C9 | C8 | H9 | 177.2° | 179.9° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.8° | 0.2° |
| C5 | C6 | C7 | C10 | 176.1° | 179.9° |
| C9 | C8 | C7 | C6 | 3.4° | 0.3° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | C10 | 177.7° | 179.9° |
| C6 | C7 | C8 | C10 | 174.3° | 179.8° |
| C6 | C7 | C10 | N2 | 12.9° | 0.1° |
| C6 | C7 | C10 | N3 | 172.5° | 179.7° |
| C7 | C6 | C5 | H6 | 179.4° | 180.0° |
| C6 | C7 | C8 | H9 | 176.5° | 179.7° |
| C8 | C7 | C10 | N2 | 161.2° | 179.7° |
| C8 | C7 | C10 | N3 | 13.4° | 0.5° |
| C8 | C7 | C6 | H7 | 178.2° | 179.8° |
| C7 | C8 | C9 | H8 | 177.2° | 180.0° |
| C7 | C10 | N2 | N3 | 174.9° | 179.8° |
| C7 | C10 | N2 | C11 | 177.3° | 180.0° |
| C7 | C10 | N3 | C17 | 176.9° | 180.0° |
| C10 | C7 | C6 | H7 | 3.9° | 0.0° |
| C10 | C7 | C8 | H9 | 2.3° | 0.1° |
| C7 | C10 | N3 | H10 | 3.1° | 0.1° |
| N2 | C10 | N3 | C17 | 2.1° | 0.2° |
| C10 | N2 | C11 | C16 | 179.5° | 180.0° |
| C10 | N2 | C11 | C12 | 4.3° | 0.1° |
| N2 | C10 | N3 | H10 | 178.0° | 179.8° |
| N3 | C10 | N2 | C11 | 2.4° | 0.2° |
| C10 | N3 | C17 | H10 | 180.0° | 180.0° |
| C10 | N3 | C17 | C12 | 3.3° | 0.0° |
| C10 | N3 | C17 | O2 | 178.1° | 179.9° |
| N2 | C11 | C16 | C12 | 176.3° | 179.9° |
| N2 | C11 | C16 | C15 | 178.9° | 180.0° |
| N2 | C11 | C12 | C17 | 5.3° | 0.3° |
| N2 | C11 | C12 | C13 | 179.5° | 179.9° |
| N2 | C11 | C16 | H11 | 1.1° | 0.1° |
| N3 | C17 | C12 | C11 | 4.7° | 0.3° |
| N3 | C17 | C12 | O2 | 178.5° | 179.9° |
| N3 | C17 | C12 | C13 | 179.9° | 180.0° |
| C11 | C16 | C15 | H11 | 180.0° | 179.9° |
| C16 | C11 | C12 | C17 | 178.5° | 179.7° |
| C16 | C11 | C12 | C13 | 3.3° | 0.0° |
| C11 | C16 | C15 | C14 | 1.1° | 0.0° |
| C11 | C16 | C15 | H12 | 178.9° | 180.0° |
| C12 | C11 | C16 | C15 | 2.6° | 0.1° |
| C11 | C12 | C17 | C13 | 175.1° | 179.8° |
| C11 | C12 | C17 | O2 | 176.8° | 179.7° |
| C11 | C12 | C13 | C14 | 2.5° | 0.2° |
| C12 | C11 | C16 | H11 | 177.4° | 180.0° |
| C11 | C12 | C13 | H14 | 177.5° | 179.7° |
| C16 | C15 | C14 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C16 | C15 | C14 | H13 | 179.7° | 180.0° |
| C17 | C12 | C13 | C14 | 177.5° | 179.6° |
| C12 | C17 | N3 | H10 | 176.7° | 180.0° |
| C17 | C12 | C13 | H14 | 2.5° | 0.1° |
| O2 | C17 | C12 | C13 | 1.7° | 0.1° |
| O2 | C17 | N3 | H10 | 1.8° | 0.0° |
| C12 | C13 | C14 | C15 | 1.0° | 0.2° |
| C12 | C13 | C14 | H14 | 180.0° | 179.5° |
| C12 | C13 | C14 | H13 | 179.0° | 179.9° |
| C15 | C14 | C13 | H13 | 180.0° | 179.9° |
| C14 | C15 | C16 | H11 | 178.9° | 179.9° |
| C15 | C14 | C13 | H14 | 179.0° | 179.7° |
| C13 | C14 | C15 | H12 | 179.7° | 179.9° |
| H1 | C3 | N1 | H15 | 66.7° | 61.4° |
| H3 | C | H4 | H5 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 0.5° | 0.0° |
| H8 | C9 | C8 | H9 | 2.8° | 0.0° |
| H11 | C16 | C15 | H12 | 1.1° | 0.0° |
| H12 | C15 | C14 | H13 | 0.3° | 0.0° |
| H13 | C14 | C13 | H14 | 1.0° | 0.3° |
| H15 | N1 | C3 | H16 | 55.4° | 61.5° |
