K9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C5 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | N | sing | 1.35Å | 1.36Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| N | C10 | sing | 1.40Å | 1.38Å | |
| N | C6 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| C12 | O1 | sing | 1.36Å | 1.35Å | |
| C12 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C13 | C18 | doub | 1.42Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C17 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C5 | C4 | 120.8° | 120.0° |
| O | C5 | N | 122.0° | 120.0° |
| C4 | C5 | N | 117.2° | 120.0° |
| C5 | C4 | C3 | 113.1° | 109.5° |
| C5 | C4 | H41C | 108.6° | 109.5° |
| C5 | C4 | H42C | 108.5° | 109.5° |
| C5 | N | C10 | 122.8° | 125.0° |
| C5 | N | C6 | 126.0° | 125.0° |
| C4 | C3 | C2 | 113.0° | 109.5° |
| C3 | C4 | H41C | 108.5° | 109.5° |
| C3 | C4 | H42C | 108.5° | 109.4° |
| C4 | C3 | H31C | 108.6° | 109.5° |
| C4 | C3 | H32C | 108.6° | 109.5° |
| C3 | C2 | C1 | 114.9° | 109.5° |
| C2 | C3 | H31C | 108.6° | 109.5° |
| C2 | C3 | H32C | 108.6° | 109.4° |
| C3 | C2 | H21C | 108.1° | 109.5° |
| C3 | C2 | H22C | 108.1° | 109.5° |
| C2 | C1 | C | 113.9° | 109.4° |
| C1 | C2 | H21C | 108.1° | 109.5° |
| C1 | C2 | H22C | 108.1° | 109.4° |
| C2 | C1 | H11C | 108.4° | 109.5° |
| C2 | C1 | H12C | 108.3° | 109.5° |
| C | C1 | H11C | 108.3° | 109.5° |
| C | C1 | H12C | 108.4° | 109.4° |
| C1 | C | HC1 | 109.5° | 109.4° |
| C1 | C | HC2 | 109.4° | 109.5° |
| C1 | C | HC3 | 109.5° | 109.5° |
| C10 | N | C6 | 111.3° | 110.0° |
| N | C10 | C11 | 127.6° | 128.6° |
| N | C10 | C9 | 109.7° | 111.7° |
| N | C6 | C7 | 105.4° | 105.0° |
| N | C6 | H61C | 110.5° | 110.3° |
| N | C6 | H62C | 110.5° | 110.3° |
| C11 | C10 | C9 | 122.6° | 119.7° |
| C10 | C11 | C12 | 120.2° | 121.4° |
| C10 | C11 | H11 | 119.9° | 119.3° |
| C10 | C9 | C18 | 118.4° | 120.3° |
| C10 | C9 | C7 | 110.6° | 108.8° |
| C11 | C12 | O1 | 119.3° | 120.1° |
| C11 | C12 | C13 | 120.6° | 119.9° |
| C12 | C11 | H11 | 119.9° | 119.3° |
| O1 | C12 | C13 | 115.9° | 120.0° |
| C12 | O1 | H1 | 109.5° | 114.0° |
| C12 | C13 | C18 | 118.9° | 119.2° |
| C12 | C13 | C14 | 122.5° | 121.4° |
| C18 | C13 | C14 | 118.6° | 119.4° |
| C13 | C18 | C9 | 119.2° | 119.5° |
| C13 | C18 | C17 | 117.9° | 119.3° |
| C13 | C14 | C15 | 121.0° | 119.7° |
| C13 | C14 | H14 | 119.5° | 120.1° |
| C9 | C18 | C17 | 122.8° | 121.2° |
| C18 | C9 | C7 | 130.8° | 130.9° |
| C18 | C17 | C16 | 121.2° | 119.7° |
| C18 | C17 | H17 | 119.4° | 120.2° |
| C9 | C7 | C8 | 112.7° | 110.4° |
| C9 | C7 | C6 | 102.8° | 104.5° |
| C9 | C7 | H7 | 109.0° | 110.5° |
| C8 | C7 | C6 | 114.6° | 110.6° |
| C8 | C7 | H7 | 108.7° | 110.4° |
| C7 | C8 | H81C | 109.5° | 109.4° |
| C7 | C8 | H82C | 109.5° | 109.4° |
| C7 | C8 | H83C | 109.5° | 109.5° |
| C7 | C6 | H61C | 110.5° | 110.5° |
| C7 | C6 | H62C | 110.5° | 110.3° |
| C6 | C7 | H7 | 108.7° | 110.3° |
| C17 | C16 | C15 | 120.7° | 120.9° |
| C16 | C17 | H17 | 119.4° | 120.1° |
| C17 | C16 | H16 | 119.6° | 119.6° |
| C16 | C15 | C14 | 120.6° | 121.0° |
| C15 | C16 | H16 | 119.6° | 119.5° |
| C16 | C15 | H15 | 119.7° | 119.5° |
| C15 | C14 | H14 | 119.5° | 120.2° |
| C14 | C15 | H15 | 119.7° | 119.5° |
| H41C | C4 | H42C | 109.5° | 109.4° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 110.4° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H81C | C8 | H83C | 109.5° | 109.5° |
| H82C | C8 | H83C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C5 | C4 | N | 179.9° | 179.8° |
| O | C5 | C4 | C3 | 111.3° | 0.0° |
| O | C5 | N | C10 | 8.5° | 179.9° |
| O | C5 | N | C6 | 172.0° | 0.3° |
| O | C5 | C4 | H41C | 9.3° | 120.0° |
| O | C5 | C4 | H42C | 128.2° | 120.0° |
| C5 | C4 | C3 | H41C | 120.5° | 120.0° |
| C5 | C4 | C3 | H42C | 120.5° | 120.0° |
| C5 | C4 | C3 | C2 | 103.1° | 180.0° |
| C4 | C5 | N | C10 | 171.6° | 0.2° |
| C4 | C5 | N | C6 | 7.9° | 179.4° |
| C5 | C4 | H41C | H42C | 118.3° | 120.1° |
| C5 | C4 | C3 | H31C | 17.4° | 60.0° |
| C5 | C4 | C3 | H32C | 136.3° | 60.0° |
| N | C5 | C4 | C3 | 68.6° | 179.7° |
| C5 | N | C10 | C6 | 179.6° | 179.6° |
| C5 | N | C10 | C11 | 0.8° | 0.1° |
| C5 | N | C10 | C9 | 178.7° | 180.0° |
| C5 | N | C6 | C7 | 176.4° | 179.9° |
| N | C5 | C4 | H41C | 170.9° | 59.7° |
| N | C5 | C4 | H42C | 51.9° | 60.3° |
| C5 | N | C6 | H61C | 57.0° | 61.0° |
| C5 | N | C6 | H62C | 64.3° | 61.2° |
| C4 | C3 | C2 | H31C | 120.5° | 120.0° |
| C4 | C3 | C2 | H32C | 120.5° | 120.0° |
| C4 | C3 | C2 | C1 | 131.5° | 180.0° |
| C3 | C4 | H41C | H42C | 118.3° | 119.9° |
| C4 | C3 | H31C | H32C | 118.4° | 120.0° |
| C4 | C3 | C2 | H21C | 107.7° | 60.0° |
| C4 | C3 | C2 | H22C | 10.7° | 60.0° |
| C3 | C2 | C1 | H21C | 120.8° | 120.0° |
| C3 | C2 | C1 | H22C | 120.8° | 120.0° |
| C3 | C2 | C1 | C | 131.9° | 180.0° |
| C2 | C3 | C4 | H41C | 136.3° | 60.0° |
| C2 | C3 | C4 | H42C | 17.4° | 60.0° |
| C2 | C3 | H31C | H32C | 118.4° | 120.0° |
| C3 | C2 | H21C | H22C | 117.6° | 120.0° |
| C3 | C2 | C1 | H11C | 11.2° | 60.0° |
| C3 | C2 | C1 | H12C | 107.5° | 60.0° |
| C2 | C1 | C | H11C | 120.7° | 120.0° |
| C2 | C1 | C | H12C | 120.6° | 120.0° |
| C1 | C2 | C3 | H31C | 11.0° | 60.0° |
| C1 | C2 | C3 | H32C | 108.0° | 60.0° |
| C1 | C2 | H21C | H22C | 117.5° | 120.0° |
| C2 | C1 | H11C | H12C | 118.0° | 120.1° |
| C2 | C1 | C | HC1 | 180.0° | 180.0° |
| C2 | C1 | C | HC2 | 60.0° | 60.0° |
| C2 | C1 | C | HC3 | 60.0° | 60.0° |
| C | C1 | C2 | H21C | 107.4° | 60.0° |
| C | C1 | C2 | H22C | 11.1° | 60.0° |
| C | C1 | H11C | H12C | 118.0° | 120.0° |
| C1 | C | HC1 | HC2 | 120.0° | 120.0° |
| C1 | C | HC1 | HC3 | 120.0° | 120.0° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| N | C10 | C11 | C9 | 177.7° | 179.9° |
| N | C10 | C11 | C12 | 176.2° | 180.0° |
| N | C10 | C9 | C18 | 177.3° | 180.0° |
| N | C10 | C9 | C7 | 1.5° | 0.1° |
| C10 | N | C6 | C7 | 4.1° | 0.4° |
| C10 | N | C6 | H61C | 123.4° | 118.6° |
| C10 | N | C6 | H62C | 115.3° | 119.2° |
| N | C10 | C11 | H11 | 3.8° | 0.0° |
| C6 | N | C10 | C11 | 179.7° | 179.7° |
| C6 | N | C10 | C9 | 1.7° | 0.3° |
| N | C6 | C7 | C9 | 4.6° | 0.4° |
| N | C6 | C7 | C8 | 127.2° | 118.4° |
| N | C6 | C7 | H61C | 119.4° | 119.0° |
| N | C6 | C7 | H62C | 119.3° | 118.8° |
| N | C6 | H61C | H62C | 121.9° | 122.1° |
| N | C6 | C7 | H7 | 110.9° | 119.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | O1 | 156.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C11 | C10 | C9 | C18 | 0.8° | 0.1° |
| C11 | C10 | C9 | C7 | 176.5° | 180.0° |
| C9 | C10 | C11 | C12 | 1.5° | 0.0° |
| C10 | C9 | C18 | C13 | 1.0° | 0.0° |
| C10 | C9 | C18 | C7 | 174.8° | 179.9° |
| C10 | C9 | C18 | C17 | 178.3° | 180.0° |
| C10 | C9 | C7 | C8 | 127.8° | 118.8° |
| C10 | C9 | C7 | C6 | 3.9° | 0.2° |
| C9 | C10 | C11 | H11 | 178.5° | 180.0° |
| C10 | C9 | C7 | H7 | 111.4° | 118.9° |
| C11 | C12 | O1 | C13 | 157.3° | 179.9° |
| C11 | C12 | C13 | C18 | 1.3° | 0.0° |
| C11 | C12 | C13 | C14 | 176.6° | 180.0° |
| C11 | C12 | O1 | H1 | 180.0° | 90.0° |
| O1 | C12 | C13 | C18 | 155.6° | 180.0° |
| O1 | C12 | C13 | C14 | 26.4° | 0.1° |
| O1 | C12 | C11 | H11 | 23.4° | 0.0° |
| C12 | C13 | C18 | C14 | 178.0° | 179.9° |
| C12 | C13 | C18 | C9 | 1.9° | 0.0° |
| C12 | C13 | C18 | C17 | 179.4° | 180.0° |
| C12 | C13 | C14 | C15 | 178.5° | 180.0° |
| C13 | C12 | C11 | H11 | 179.6° | 180.0° |
| C13 | C12 | O1 | H1 | 22.8° | 90.0° |
| C12 | C13 | C14 | H14 | 1.4° | 0.1° |
| C13 | C18 | C9 | C17 | 177.3° | 180.0° |
| C13 | C18 | C9 | C7 | 173.8° | 179.9° |
| C13 | C18 | C17 | C16 | 1.2° | 0.0° |
| C18 | C13 | C14 | C15 | 0.6° | 0.1° |
| C18 | C13 | C14 | H14 | 179.4° | 180.0° |
| C13 | C18 | C17 | H17 | 178.8° | 179.9° |
| C14 | C13 | C18 | C9 | 176.1° | 179.9° |
| C14 | C13 | C18 | C17 | 1.4° | 0.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| C18 | C9 | C7 | C8 | 57.1° | 61.3° |
| C18 | C9 | C7 | C6 | 179.0° | 179.7° |
| C9 | C18 | C17 | C16 | 176.2° | 180.0° |
| C9 | C18 | C17 | H17 | 3.8° | 0.1° |
| C18 | C9 | C7 | H7 | 63.7° | 61.1° |
| C17 | C18 | C9 | C7 | 3.5° | 0.1° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H16 | 179.9° | 179.9° |
| C9 | C7 | C8 | C6 | 117.1° | 115.1° |
| C9 | C7 | C8 | H7 | 121.0° | 122.4° |
| C9 | C7 | C6 | H7 | 115.5° | 118.7° |
| C9 | C7 | C6 | H61C | 123.9° | 118.6° |
| C9 | C7 | C6 | H62C | 114.8° | 119.1° |
| C9 | C7 | C8 | H81C | 180.0° | 60.1° |
| C9 | C7 | C8 | H82C | 60.0° | 180.0° |
| C9 | C7 | C8 | H83C | 60.0° | 60.0° |
| C8 | C7 | C6 | H7 | 121.9° | 122.5° |
| C8 | C7 | C6 | H61C | 113.4° | 122.6° |
| C8 | C7 | C6 | H62C | 7.9° | 0.3° |
| C7 | C8 | H81C | H82C | 120.0° | 119.9° |
| C7 | C8 | H81C | H83C | 120.0° | 120.1° |
| C7 | C8 | H82C | H83C | 120.0° | 120.0° |
| C7 | C6 | H61C | H62C | 121.9° | 122.2° |
| C6 | C7 | C8 | H81C | 62.9° | 175.2° |
| C6 | C7 | C8 | H82C | 57.2° | 64.8° |
| C6 | C7 | C8 | H83C | 177.1° | 55.2° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.8° | 0.1° |
| C17 | C16 | C15 | H15 | 179.2° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | H14 | 179.5° | 180.0° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| C14 | C15 | C16 | H16 | 179.2° | 180.0° |
| H41C | C4 | C3 | H31C | 103.2° | 180.0° |
| H41C | C4 | C3 | H32C | 15.8° | 60.0° |
| H42C | C4 | C3 | H31C | 137.9° | 60.1° |
| H42C | C4 | C3 | H32C | 103.2° | 179.9° |
| H31C | C3 | C2 | H21C | 131.8° | 180.0° |
| H31C | C3 | C2 | H22C | 109.8° | 60.0° |
| H32C | C3 | C2 | H21C | 12.8° | 60.0° |
| H32C | C3 | C2 | H22C | 131.3° | 180.0° |
| H21C | C2 | C1 | H11C | 132.0° | 180.0° |
| H21C | C2 | C1 | H12C | 13.3° | 60.0° |
| H22C | C2 | C1 | H11C | 109.6° | 59.9° |
| H22C | C2 | C1 | H12C | 131.7° | 180.0° |
| H11C | C1 | C | HC1 | 59.3° | 60.0° |
| H11C | C1 | C | HC2 | 179.3° | 180.0° |
| H11C | C1 | C | HC3 | 60.7° | 60.0° |
| H12C | C1 | C | HC1 | 59.3° | 60.0° |
| H12C | C1 | C | HC2 | 60.7° | 60.0° |
| H12C | C1 | C | HC3 | 179.4° | 180.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H61C | C6 | C7 | H7 | 8.5° | 0.1° |
| H62C | C6 | C7 | H7 | 129.8° | 122.1° |
| H14 | C14 | C15 | H15 | 0.5° | 0.1° |
| H17 | C17 | C16 | H16 | 0.1° | 0.0° |
| H7 | C7 | C8 | H81C | 59.0° | 62.3° |
| H7 | C7 | C8 | H82C | 179.0° | 57.6° |
| H7 | C7 | C8 | H83C | 61.0° | 177.6° |
| H81C | C8 | H82C | H83C | 120.0° | 120.1° |
| H16 | C16 | C15 | H15 | 0.8° | 0.1° |
