7FK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C19 | doub | 1.21Å | 1.22Å | |
| C19 | N | sing | 1.37Å | 1.35Å | |
| C19 | C18 | sing | 1.47Å | 1.51Å | |
| N | C | sing | 1.46Å | 1.47Å | |
| N | C1 | sing | 1.48Å | 1.46Å | |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | O2 | sing | 1.36Å | 1.34Å | |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | O1 | sing | 1.36Å | 1.35Å | |
| C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.71Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | O | doub | 1.21Å | 1.21Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.31Å | 1.33Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C19 | N | 123.5° | 119.4° |
| O3 | C19 | C18 | 117.6° | 121.7° |
| N | C19 | C18 | 118.8° | 118.9° |
| C19 | N | C | 122.5° | 123.1° |
| C19 | N | C1 | 120.5° | 115.2° |
| C19 | C18 | C17 | 118.9° | 121.8° |
| C19 | C18 | C13 | 119.6° | 119.0° |
| C | N | C1 | 116.9° | 121.7° |
| N | C | HC1 | 109.5° | 109.5° |
| N | C | HC2 | 109.5° | 109.5° |
| N | C | HC3 | 109.5° | 109.5° |
| N | C1 | C2 | 117.3° | 109.3° |
| N | C1 | H11C | 107.5° | 109.4° |
| N | C1 | H12C | 107.5° | 109.6° |
| C17 | C18 | C13 | 121.5° | 119.2° |
| C18 | C17 | O2 | 119.5° | 120.5° |
| C18 | C17 | C16 | 120.9° | 120.3° |
| C18 | C13 | C14 | 114.6° | 120.1° |
| C18 | C13 | C12 | 122.0° | 120.2° |
| O2 | C17 | C16 | 119.6° | 119.2° |
| C17 | O2 | H2 | 109.5° | 114.0° |
| C17 | C16 | C15 | 119.5° | 120.0° |
| C17 | C16 | H16 | 120.2° | 119.9° |
| C16 | C15 | O1 | 122.0° | 120.0° |
| C16 | C15 | C14 | 118.1° | 120.0° |
| C15 | C16 | H16 | 120.2° | 120.1° |
| O1 | C15 | C14 | 119.9° | 120.0° |
| C15 | O1 | H1 | 109.5° | 114.0° |
| C15 | C14 | CL | 115.1° | 119.7° |
| C15 | C14 | C13 | 125.3° | 120.4° |
| CL | C14 | C13 | 119.5° | 119.9° |
| C14 | C13 | C12 | 123.4° | 119.8° |
| C13 | C12 | C11 | 115.0° | 109.8° |
| C13 | C12 | H121 | 108.1° | 109.4° |
| C13 | C12 | H122 | 108.1° | 109.6° |
| C12 | C11 | O | 120.6° | 120.1° |
| C12 | C11 | C10 | 117.9° | 119.8° |
| C11 | C12 | H121 | 108.1° | 109.3° |
| C11 | C12 | H122 | 108.1° | 109.5° |
| O | C11 | C10 | 121.5° | 120.1° |
| C11 | C10 | C9 | 115.9° | 109.4° |
| C11 | C10 | H101 | 107.9° | 109.5° |
| C11 | C10 | H102 | 107.8° | 109.5° |
| C10 | C9 | C8 | 110.8° | 109.7° |
| C9 | C10 | H101 | 107.8° | 109.5° |
| C9 | C10 | H102 | 107.8° | 109.5° |
| C10 | C9 | H91C | 109.1° | 109.5° |
| C10 | C9 | H92C | 109.2° | 109.4° |
| C9 | C8 | C7 | 112.1° | 109.3° |
| C8 | C9 | H91C | 109.1° | 109.4° |
| C8 | C9 | H92C | 109.1° | 109.5° |
| C9 | C8 | H81C | 108.8° | 109.5° |
| C9 | C8 | H82C | 108.8° | 109.5° |
| C8 | C7 | C6 | 116.0° | 109.6° |
| C7 | C8 | H81C | 108.8° | 109.5° |
| C7 | C8 | H82C | 108.8° | 109.6° |
| C8 | C7 | H71C | 107.8° | 109.4° |
| C8 | C7 | H72C | 107.8° | 109.4° |
| C7 | C6 | C5 | 111.3° | 109.7° |
| C6 | C7 | H71C | 107.8° | 109.6° |
| C6 | C7 | H72C | 107.8° | 109.5° |
| C7 | C6 | H61C | 109.0° | 109.4° |
| C7 | C6 | H62C | 109.0° | 109.5° |
| C6 | C5 | C4 | 111.4° | 109.3° |
| C5 | C6 | H61C | 109.0° | 109.4° |
| C5 | C6 | H62C | 109.0° | 109.4° |
| C6 | C5 | H51C | 109.0° | 109.6° |
| C6 | C5 | H52C | 109.0° | 109.5° |
| C5 | C4 | C3 | 125.7° | 120.1° |
| C4 | C5 | H51C | 109.0° | 109.5° |
| C4 | C5 | H52C | 109.0° | 109.5° |
| C5 | C4 | H4 | 117.1° | 119.9° |
| C4 | C3 | C2 | 127.4° | 119.8° |
| C3 | C4 | H4 | 117.1° | 120.0° |
| C4 | C3 | H3 | 116.3° | 120.0° |
| C3 | C2 | C1 | 113.5° | 109.4° |
| C2 | C3 | H3 | 116.3° | 120.2° |
| C3 | C2 | H21C | 108.5° | 109.4° |
| C3 | C2 | H22C | 108.4° | 109.3° |
| C2 | C1 | H11C | 107.5° | 109.6° |
| C2 | C1 | H12C | 107.5° | 109.7° |
| C1 | C2 | H21C | 108.4° | 109.4° |
| C1 | C2 | H22C | 108.5° | 109.8° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.4° | 109.4° |
| HC2 | C | HC3 | 109.5° | 109.4° |
| H11C | C1 | H12C | 109.5° | 109.3° |
| H121 | C12 | H122 | 109.4° | 109.2° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H91C | C9 | H92C | 109.5° | 109.4° |
| H81C | C8 | H82C | 109.4° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.4° |
| H61C | C6 | H62C | 109.5° | 109.4° |
| H51C | C5 | H52C | 109.5° | 109.4° |
| H21C | C2 | H22C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C19 | N | C18 | 177.8° | 179.1° |
| O3 | C19 | N | C | 171.9° | 159.2° |
| O3 | C19 | N | C1 | 11.8° | 21.1° |
| O3 | C19 | C18 | C17 | 72.9° | 126.2° |
| O3 | C19 | C18 | C13 | 107.3° | 53.9° |
| C19 | N | C | C1 | 176.4° | 179.7° |
| N | C19 | C18 | C17 | 105.0° | 54.7° |
| N | C19 | C18 | C13 | 74.8° | 125.2° |
| C19 | N | C1 | C2 | 89.8° | 101.3° |
| C19 | N | C | HC1 | 180.0° | 0.0° |
| C19 | N | C | HC2 | 60.0° | 120.0° |
| C19 | N | C | HC3 | 60.0° | 120.0° |
| C19 | N | C1 | H11C | 31.4° | 138.7° |
| C19 | N | C1 | H12C | 149.1° | 18.9° |
| C18 | C19 | N | C | 5.8° | 19.9° |
| C18 | C19 | N | C1 | 170.4° | 159.8° |
| C19 | C18 | C17 | C13 | 179.8° | 179.9° |
| C19 | C18 | C17 | O2 | 0.2° | 1.5° |
| C19 | C18 | C17 | C16 | 178.9° | 178.9° |
| C19 | C18 | C13 | C14 | 179.7° | 179.1° |
| C19 | C18 | C13 | C12 | 0.2° | 0.9° |
| C | N | C1 | C2 | 86.7° | 79.0° |
| N | C | HC1 | HC2 | 120.0° | 120.0° |
| N | C | HC1 | HC3 | 120.0° | 120.0° |
| N | C | HC2 | HC3 | 120.0° | 120.0° |
| C | N | C1 | H11C | 152.2° | 41.0° |
| C | N | C1 | H12C | 34.5° | 160.8° |
| N | C1 | C2 | C3 | 65.3° | 115.1° |
| N | C1 | C2 | H11C | 121.1° | 119.8° |
| N | C1 | C2 | H12C | 121.1° | 120.2° |
| C1 | N | C | HC1 | 3.6° | 179.7° |
| C1 | N | C | HC2 | 123.6° | 59.6° |
| C1 | N | C | HC3 | 116.4° | 60.4° |
| N | C1 | H11C | H12C | 116.4° | 120.0° |
| N | C1 | C2 | H21C | 174.1° | 125.0° |
| N | C1 | C2 | H22C | 55.2° | 4.9° |
| C18 | C17 | O2 | C16 | 178.6° | 179.7° |
| C18 | C17 | C16 | C15 | 0.8° | 0.6° |
| C17 | C18 | C13 | C14 | 0.6° | 0.8° |
| C17 | C18 | C13 | C12 | 179.6° | 179.2° |
| C18 | C17 | O2 | H2 | 180.0° | 90.0° |
| C18 | C17 | C16 | H16 | 179.2° | 179.4° |
| C13 | C18 | C17 | O2 | 179.5° | 178.6° |
| C13 | C18 | C17 | C16 | 0.9° | 1.0° |
| C18 | C13 | C14 | C15 | 2.2° | 0.1° |
| C18 | C13 | C14 | CL | 176.0° | 179.8° |
| C18 | C13 | C14 | C12 | 179.9° | 180.0° |
| C18 | C13 | C12 | C11 | 124.4° | 93.1° |
| C18 | C13 | C12 | H121 | 114.8° | 146.9° |
| C18 | C13 | C12 | H122 | 3.6° | 27.2° |
| O2 | C17 | C16 | C15 | 179.4° | 179.0° |
| O2 | C17 | C16 | H16 | 0.6° | 0.9° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | O1 | 176.7° | 179.9° |
| C17 | C16 | C15 | C14 | 0.7° | 0.0° |
| C16 | C17 | O2 | H2 | 1.4° | 90.3° |
| C16 | C15 | O1 | C14 | 177.3° | 179.9° |
| C16 | C15 | C14 | CL | 175.9° | 179.8° |
| C16 | C15 | C14 | C13 | 2.4° | 0.3° |
| C16 | C15 | O1 | H1 | 180.0° | 89.9° |
| O1 | C15 | C14 | CL | 6.7° | 0.3° |
| O1 | C15 | C14 | C13 | 175.1° | 179.7° |
| O1 | C15 | C16 | H16 | 3.3° | 0.2° |
| C15 | C14 | CL | C13 | 178.4° | 180.0° |
| C15 | C14 | C13 | C12 | 177.9° | 179.9° |
| C14 | C15 | C16 | H16 | 179.3° | 179.9° |
| C14 | C15 | O1 | H1 | 2.7° | 90.0° |
| CL | C14 | C13 | C12 | 3.9° | 0.2° |
| C14 | C13 | C12 | C11 | 55.7° | 86.8° |
| C14 | C13 | C12 | H121 | 65.1° | 33.1° |
| C14 | C13 | C12 | H122 | 176.5° | 152.8° |
| C13 | C12 | C11 | H121 | 120.8° | 120.0° |
| C13 | C12 | C11 | H122 | 120.8° | 120.4° |
| C13 | C12 | C11 | O | 36.2° | 7.9° |
| C13 | C12 | C11 | C10 | 142.4° | 172.0° |
| C13 | C12 | H121 | H122 | 117.5° | 120.0° |
| C12 | C11 | O | C10 | 178.5° | 179.9° |
| C12 | C11 | C10 | C9 | 169.4° | 107.2° |
| C11 | C12 | H121 | H122 | 117.4° | 119.8° |
| C12 | C11 | C10 | H101 | 69.6° | 132.8° |
| C12 | C11 | C10 | H102 | 48.5° | 12.9° |
| O | C11 | C10 | C9 | 12.0° | 72.9° |
| O | C11 | C12 | H121 | 157.0° | 127.9° |
| O | C11 | C12 | H122 | 84.6° | 112.5° |
| O | C11 | C10 | H101 | 108.9° | 47.1° |
| O | C11 | C10 | H102 | 132.9° | 167.1° |
| C11 | C10 | C9 | H101 | 120.9° | 120.0° |
| C11 | C10 | C9 | H102 | 120.9° | 120.0° |
| C11 | C10 | C9 | C8 | 100.3° | 94.8° |
| C10 | C11 | C12 | H121 | 21.5° | 52.0° |
| C10 | C11 | C12 | H122 | 96.8° | 67.5° |
| C11 | C10 | H101 | H102 | 117.1° | 120.0° |
| C11 | C10 | C9 | H91C | 19.9° | 25.2° |
| C11 | C10 | C9 | H92C | 139.5° | 145.1° |
| C10 | C9 | C8 | H91C | 120.2° | 120.1° |
| C10 | C9 | C8 | H92C | 120.2° | 120.1° |
| C10 | C9 | C8 | C7 | 68.1° | 179.1° |
| C9 | C10 | H101 | H102 | 117.1° | 120.1° |
| C10 | C9 | H91C | H92C | 119.4° | 119.8° |
| C10 | C9 | C8 | H81C | 171.6° | 61.0° |
| C10 | C9 | C8 | H82C | 52.4° | 59.1° |
| C9 | C8 | C7 | H81C | 120.4° | 119.9° |
| C9 | C8 | C7 | H82C | 120.4° | 120.0° |
| C9 | C8 | C7 | C6 | 167.6° | 176.2° |
| C8 | C9 | C10 | H101 | 138.8° | 145.2° |
| C8 | C9 | C10 | H102 | 20.6° | 25.2° |
| C8 | C9 | H91C | H92C | 119.4° | 119.9° |
| C9 | C8 | H81C | H82C | 118.8° | 120.1° |
| C9 | C8 | C7 | H71C | 46.7° | 56.1° |
| C9 | C8 | C7 | H72C | 71.4° | 63.7° |
| C8 | C7 | C6 | H71C | 121.0° | 120.0° |
| C8 | C7 | C6 | H72C | 121.0° | 120.0° |
| C8 | C7 | C6 | C5 | 178.5° | 114.5° |
| C7 | C8 | C9 | H91C | 52.1° | 59.0° |
| C7 | C8 | C9 | H92C | 171.7° | 60.9° |
| C7 | C8 | H81C | H82C | 118.8° | 120.1° |
| C8 | C7 | H71C | H72C | 117.0° | 119.8° |
| C8 | C7 | C6 | H61C | 58.2° | 125.4° |
| C8 | C7 | C6 | H62C | 61.2° | 5.6° |
| C7 | C6 | C5 | H61C | 120.3° | 120.1° |
| C7 | C6 | C5 | H62C | 120.3° | 120.1° |
| C7 | C6 | C5 | C4 | 82.8° | 94.4° |
| C6 | C7 | C8 | H81C | 72.0° | 63.9° |
| C6 | C7 | C8 | H82C | 47.2° | 56.2° |
| C6 | C7 | H71C | H72C | 117.0° | 120.0° |
| C7 | C6 | H61C | H62C | 119.2° | 119.9° |
| C7 | C6 | C5 | H51C | 37.5° | 25.7° |
| C7 | C6 | C5 | H52C | 156.9° | 145.6° |
| C6 | C5 | C4 | H51C | 120.3° | 120.1° |
| C6 | C5 | C4 | H52C | 120.3° | 120.0° |
| C6 | C5 | C4 | C3 | 74.0° | 128.6° |
| C5 | C6 | C7 | H71C | 60.5° | 5.5° |
| C5 | C6 | C7 | H72C | 57.6° | 125.5° |
| C5 | C6 | H61C | H62C | 119.1° | 119.9° |
| C6 | C5 | H51C | H52C | 119.1° | 120.1° |
| C6 | C5 | C4 | H4 | 106.0° | 51.5° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 178.8° | 179.7° |
| C4 | C5 | C6 | H61C | 156.9° | 145.5° |
| C4 | C5 | C6 | H62C | 37.5° | 25.7° |
| C4 | C5 | H51C | H52C | 119.1° | 120.0° |
| C5 | C4 | C3 | H3 | 1.2° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 136.1° | 151.3° |
| C3 | C4 | C5 | H51C | 46.3° | 8.5° |
| C3 | C4 | C5 | H52C | 165.7° | 111.5° |
| C4 | C3 | C2 | H21C | 15.5° | 88.9° |
| C4 | C3 | C2 | H22C | 103.3° | 31.0° |
| C3 | C2 | C1 | H21C | 120.6° | 119.8° |
| C3 | C2 | C1 | H22C | 120.6° | 120.0° |
| C3 | C2 | C1 | H11C | 173.5° | 125.0° |
| C3 | C2 | C1 | H12C | 55.8° | 5.0° |
| C2 | C3 | C4 | H4 | 1.2° | 0.3° |
| C3 | C2 | H21C | H22C | 118.2° | 119.8° |
| C2 | C1 | H11C | H12C | 116.5° | 120.2° |
| C1 | C2 | C3 | H3 | 43.9° | 28.8° |
| C1 | C2 | H21C | H22C | 118.2° | 120.4° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H11C | C1 | C2 | H21C | 52.9° | 5.2° |
| H11C | C1 | C2 | H22C | 65.9° | 115.0° |
| H12C | C1 | C2 | H21C | 64.8° | 114.8° |
| H12C | C1 | C2 | H22C | 176.4° | 125.0° |
| H101 | C10 | C9 | H91C | 101.1° | 94.7° |
| H101 | C10 | C9 | H92C | 18.6° | 25.1° |
| H102 | C10 | C9 | H91C | 140.8° | 145.3° |
| H102 | C10 | C9 | H92C | 99.6° | 94.9° |
| H91C | C9 | C8 | H81C | 68.2° | 178.9° |
| H91C | C9 | C8 | H82C | 172.6° | 61.0° |
| H92C | C9 | C8 | H81C | 51.3° | 59.1° |
| H92C | C9 | C8 | H82C | 67.9° | 179.1° |
| H81C | C8 | C7 | H71C | 167.1° | 176.0° |
| H81C | C8 | C7 | H72C | 49.0° | 56.2° |
| H82C | C8 | C7 | H71C | 73.7° | 64.0° |
| H82C | C8 | C7 | H72C | 168.2° | 176.2° |
| H71C | C7 | C6 | H61C | 179.2° | 114.6° |
| H71C | C7 | C6 | H62C | 59.7° | 125.6° |
| H72C | C7 | C6 | H61C | 62.7° | 5.4° |
| H72C | C7 | C6 | H62C | 177.8° | 114.4° |
| H61C | C6 | C5 | H51C | 82.8° | 94.4° |
| H61C | C6 | C5 | H52C | 36.6° | 25.6° |
| H62C | C6 | C5 | H51C | 157.8° | 145.7° |
| H62C | C6 | C5 | H52C | 82.8° | 94.3° |
| H51C | C5 | C4 | H4 | 133.7° | 171.6° |
| H52C | C5 | C4 | H4 | 14.3° | 68.5° |
| H4 | C4 | C3 | H3 | 178.8° | 179.6° |
| H3 | C3 | C2 | H21C | 164.5° | 91.1° |
| H3 | C3 | C2 | H22C | 76.7° | 149.1° |
