8FK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C | doub | 1.22Å | 1.21Å | |
| C12 | N | sing | 1.47Å | 1.46Å | |
| C | N | sing | 1.31Å | 1.33Å | |
| C | C13 | sing | 1.46Å | 1.50Å | |
| N | C1 | sing | 1.39Å | 1.40Å | |
| C16 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.48Å | Aromatic |
| C1 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.49Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | S | sing | 1.76Å | 1.70Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| S | C2 | sing | 1.76Å | 1.70Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.36Å | |
| N1 | C7 | sing | 1.35Å | 1.32Å | |
| C7 | O1 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C10 | sing | 1.55Å | 1.52Å | |
| C8 | O | sing | 1.44Å | 1.42Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| O | C9 | sing | 1.44Å | 1.43Å | |
| C11 | C9 | sing | 1.54Å | 1.53Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C | N | 119.0° | 115.7° |
| O2 | C | C13 | 115.8° | 115.6° |
| C12 | N | C | 121.4° | 114.8° |
| C12 | N | C1 | 113.9° | 114.9° |
| N | C12 | H11 | 109.5° | 109.5° |
| N | C12 | H12 | 109.5° | 109.4° |
| N | C12 | H13 | 109.4° | 109.4° |
| N | C | C13 | 125.1° | 128.7° |
| C | N | C1 | 124.6° | 130.3° |
| C | C13 | C16 | 117.9° | 119.2° |
| C | C13 | C14 | 122.2° | 121.8° |
| N | C1 | C4 | 117.3° | 118.5° |
| N | C1 | C2 | 123.1° | 122.3° |
| C13 | C16 | C17 | 120.0° | 120.2° |
| C16 | C13 | C14 | 119.8° | 119.0° |
| C13 | C16 | H15 | 120.0° | 119.9° |
| C16 | C17 | C18 | 120.5° | 120.5° |
| C17 | C16 | H15 | 120.0° | 119.9° |
| C16 | C17 | H16 | 119.7° | 119.7° |
| C13 | C14 | S | 119.7° | 120.1° |
| C13 | C14 | C15 | 118.1° | 120.1° |
| C4 | C1 | C2 | 119.4° | 119.1° |
| C1 | C4 | C5 | 120.6° | 120.6° |
| C1 | C4 | H1 | 119.7° | 119.7° |
| C1 | C2 | S | 119.5° | 120.5° |
| C1 | C2 | C3 | 118.0° | 120.3° |
| C4 | C5 | C6 | 121.3° | 120.1° |
| C4 | C5 | H2 | 119.4° | 119.9° |
| C5 | C4 | H1 | 119.7° | 119.7° |
| C17 | C18 | C15 | 121.4° | 120.1° |
| C18 | C17 | H16 | 119.8° | 119.8° |
| C17 | C18 | H17 | 119.3° | 119.9° |
| S | C14 | C15 | 122.2° | 119.8° |
| C14 | S | C2 | 100.1° | 102.9° |
| C14 | C15 | C18 | 120.1° | 120.1° |
| C14 | C15 | H14 | 119.9° | 120.0° |
| S | C2 | C3 | 122.4° | 119.2° |
| C2 | C3 | C6 | 119.8° | 120.1° |
| C2 | C3 | H | 120.1° | 119.9° |
| C15 | C18 | H17 | 119.3° | 119.9° |
| C18 | C15 | H14 | 119.9° | 119.9° |
| C5 | C6 | C3 | 120.9° | 119.7° |
| C5 | C6 | N1 | 112.9° | 120.1° |
| C6 | C5 | H2 | 119.3° | 120.0° |
| C3 | C6 | N1 | 126.2° | 120.2° |
| C6 | C3 | H | 120.1° | 120.0° |
| C6 | N1 | C7 | 124.9° | 120.0° |
| C6 | N1 | H3 | 117.5° | 120.0° |
| N1 | C7 | O1 | 125.3° | 120.0° |
| N1 | C7 | C8 | 115.7° | 120.0° |
| C7 | N1 | H3 | 117.6° | 120.0° |
| O1 | C7 | C8 | 119.0° | 120.0° |
| C7 | C8 | C10 | 109.8° | 110.4° |
| C7 | C8 | O | 106.4° | 110.4° |
| C7 | C8 | H4 | 111.9° | 110.4° |
| C10 | C8 | O | 103.6° | 104.8° |
| C8 | C10 | C11 | 101.9° | 104.0° |
| C10 | C8 | H4 | 111.6° | 110.3° |
| C8 | C10 | H7 | 111.3° | 110.5° |
| C8 | C10 | H8 | 111.3° | 110.5° |
| C8 | O | C9 | 106.2° | 105.3° |
| O | C8 | H4 | 113.1° | 110.4° |
| C10 | C11 | C9 | 104.7° | 104.1° |
| C11 | C10 | H7 | 111.3° | 110.5° |
| C11 | C10 | H8 | 111.3° | 110.6° |
| C10 | C11 | H9 | 110.6° | 110.5° |
| C10 | C11 | H10 | 110.7° | 110.5° |
| O | C9 | C11 | 105.8° | 104.8° |
| O | C9 | H5 | 110.4° | 110.4° |
| O | C9 | H6 | 110.4° | 110.5° |
| C9 | C11 | H9 | 110.6° | 110.6° |
| C9 | C11 | H10 | 110.6° | 110.5° |
| C11 | C9 | H5 | 110.3° | 110.3° |
| C11 | C9 | H6 | 110.4° | 110.3° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 110.6° |
| H9 | C11 | H10 | 109.5° | 110.5° |
| H5 | C9 | H6 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C | N | C12 | 6.7° | 1.3° |
| O2 | C | N | C13 | 178.9° | 179.7° |
| O2 | C | N | C1 | 176.6° | 178.3° |
| O2 | C | C13 | C16 | 45.5° | 43.2° |
| O2 | C | C13 | C14 | 131.2° | 136.9° |
| C12 | N | C | C1 | 176.7° | 179.7° |
| C12 | N | C | C13 | 172.2° | 178.4° |
| C12 | N | C1 | C4 | 52.5° | 45.2° |
| C12 | N | C1 | C2 | 123.0° | 134.6° |
| N | C12 | H11 | H12 | 120.0° | 120.0° |
| N | C12 | H11 | H13 | 120.0° | 120.0° |
| N | C12 | H12 | H13 | 119.9° | 119.9° |
| N | C | C13 | C16 | 135.6° | 137.1° |
| N | C | C13 | C14 | 47.7° | 42.8° |
| C | N | C1 | C4 | 130.6° | 134.5° |
| C | N | C1 | C2 | 53.9° | 45.7° |
| C | N | C12 | H11 | 180.0° | 0.0° |
| C | N | C12 | H12 | 60.0° | 120.0° |
| C | N | C12 | H13 | 60.0° | 120.0° |
| C13 | C | N | C1 | 4.5° | 2.0° |
| C | C13 | C16 | C14 | 176.8° | 179.9° |
| C | C13 | C16 | C17 | 178.8° | 179.5° |
| C | C13 | C14 | S | 3.8° | 0.9° |
| C | C13 | C14 | C15 | 179.3° | 179.3° |
| C | C13 | C16 | H15 | 1.2° | 0.4° |
| N | C1 | C4 | C2 | 175.7° | 179.8° |
| N | C1 | C4 | C5 | 177.9° | 179.8° |
| N | C1 | C2 | S | 5.1° | 0.2° |
| N | C1 | C2 | C3 | 178.1° | 179.8° |
| N | C1 | C4 | H1 | 2.1° | 0.2° |
| C1 | N | C12 | H11 | 3.0° | 179.7° |
| C1 | N | C12 | H12 | 123.0° | 59.7° |
| C1 | N | C12 | H13 | 117.0° | 60.2° |
| C13 | C16 | C17 | H15 | 180.0° | 180.0° |
| C13 | C16 | C17 | C18 | 0.8° | 0.0° |
| C16 | C13 | C14 | S | 179.5° | 179.2° |
| C16 | C13 | C14 | C15 | 2.7° | 0.5° |
| C13 | C16 | C17 | H16 | 179.2° | 179.9° |
| C17 | C16 | C13 | C14 | 1.9° | 0.3° |
| C16 | C17 | C18 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C15 | 0.3° | 0.2° |
| C16 | C17 | C18 | H17 | 179.7° | 179.8° |
| C13 | C14 | S | C15 | 176.7° | 179.8° |
| C13 | C14 | S | C2 | 62.5° | 60.4° |
| C13 | C14 | C15 | C18 | 2.2° | 0.4° |
| C14 | C13 | C16 | H15 | 178.1° | 179.7° |
| C13 | C14 | C15 | H14 | 177.8° | 179.5° |
| C1 | C4 | C5 | H1 | 180.0° | 179.9° |
| C4 | C1 | C2 | S | 179.4° | 180.0° |
| C4 | C1 | C2 | C3 | 2.7° | 0.1° |
| C1 | C4 | C5 | C6 | 0.7° | 0.0° |
| C1 | C4 | C5 | H2 | 179.3° | 179.9° |
| C2 | C1 | C4 | C5 | 2.2° | 0.0° |
| C1 | C2 | S | C14 | 64.1° | 60.9° |
| C1 | C2 | S | C3 | 176.6° | 179.9° |
| C1 | C2 | C3 | C6 | 1.8° | 0.0° |
| C1 | C2 | C3 | H | 178.2° | 179.9° |
| C2 | C1 | C4 | H1 | 177.8° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | C3 | 0.2° | 0.1° |
| C4 | C5 | C6 | N1 | 177.8° | 179.9° |
| C17 | C18 | C15 | C14 | 1.1° | 0.0° |
| C17 | C18 | C15 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | H15 | 179.2° | 179.9° |
| C17 | C18 | C15 | H14 | 178.9° | 179.9° |
| C14 | S | C2 | C3 | 112.4° | 119.0° |
| S | C14 | C15 | C18 | 179.0° | 179.4° |
| S | C14 | C15 | H14 | 1.0° | 0.7° |
| C15 | C14 | S | C2 | 114.3° | 119.9° |
| C14 | C15 | C18 | H14 | 180.0° | 179.9° |
| C14 | C15 | C18 | H17 | 178.9° | 180.0° |
| S | C2 | C3 | C6 | 178.4° | 180.0° |
| S | C2 | C3 | H | 1.5° | 0.0° |
| C2 | C3 | C6 | C5 | 0.4° | 0.1° |
| C2 | C3 | C6 | H | 180.0° | 180.0° |
| C2 | C3 | C6 | N1 | 176.9° | 179.9° |
| C15 | C18 | C17 | H16 | 179.7° | 179.8° |
| C5 | C6 | C3 | N1 | 177.3° | 180.0° |
| C5 | C6 | N1 | C7 | 168.4° | 146.8° |
| C5 | C6 | C3 | H | 179.6° | 180.0° |
| C6 | C5 | C4 | H1 | 179.2° | 179.9° |
| C5 | C6 | N1 | H3 | 11.6° | 33.2° |
| C3 | C6 | N1 | C7 | 9.1° | 33.2° |
| C3 | C6 | C5 | H2 | 179.8° | 180.0° |
| C3 | C6 | N1 | H3 | 170.9° | 146.8° |
| C6 | N1 | C7 | H3 | 180.0° | 180.0° |
| C6 | N1 | C7 | O1 | 2.5° | 5.3° |
| C6 | N1 | C7 | C8 | 178.0° | 174.7° |
| N1 | C6 | C3 | H | 3.1° | 0.0° |
| N1 | C6 | C5 | H2 | 2.2° | 0.0° |
| N1 | C7 | O1 | C8 | 179.4° | 180.0° |
| N1 | C7 | C8 | C10 | 59.3° | 65.0° |
| N1 | C7 | C8 | O | 170.8° | 179.6° |
| N1 | C7 | C8 | H4 | 65.2° | 57.2° |
| O1 | C7 | C8 | C10 | 120.2° | 115.0° |
| O1 | C7 | C8 | O | 8.7° | 0.4° |
| O1 | C7 | N1 | H3 | 177.4° | 174.7° |
| O1 | C7 | C8 | H4 | 115.3° | 122.8° |
| C7 | C8 | C10 | O | 113.3° | 118.9° |
| C7 | C8 | C10 | H4 | 124.7° | 122.2° |
| C7 | C8 | O | H4 | 123.3° | 122.3° |
| C7 | C8 | C10 | C11 | 75.0° | 142.8° |
| C7 | C8 | O | C9 | 73.1° | 159.4° |
| C8 | C7 | N1 | H3 | 2.0° | 5.3° |
| C7 | C8 | C10 | H7 | 43.8° | 24.2° |
| C7 | C8 | C10 | H8 | 166.2° | 98.6° |
| C10 | C8 | O | H4 | 121.0° | 118.8° |
| C8 | C10 | C11 | H7 | 118.8° | 118.6° |
| C8 | C10 | C11 | H8 | 118.8° | 118.6° |
| C10 | C8 | O | C9 | 42.7° | 40.5° |
| C8 | C10 | C11 | C9 | 20.3° | 0.0° |
| C8 | C10 | H7 | H8 | 123.5° | 122.7° |
| C8 | C10 | C11 | H9 | 99.0° | 118.7° |
| C8 | C10 | C11 | H10 | 139.5° | 118.7° |
| O | C8 | C10 | C11 | 38.3° | 23.9° |
| C8 | O | C9 | C11 | 29.1° | 40.5° |
| O | C8 | C10 | H7 | 157.1° | 94.7° |
| O | C8 | C10 | H8 | 80.5° | 142.6° |
| C8 | O | C9 | H5 | 148.5° | 159.3° |
| C8 | O | C9 | H6 | 90.3° | 78.4° |
| C10 | C11 | C9 | O | 4.1° | 24.0° |
| C10 | C11 | C9 | H9 | 119.2° | 118.7° |
| C10 | C11 | C9 | H10 | 119.3° | 118.7° |
| C11 | C10 | C8 | H4 | 160.3° | 95.0° |
| C11 | C10 | H7 | H8 | 123.5° | 122.8° |
| C10 | C11 | H9 | H10 | 122.2° | 122.6° |
| C10 | C11 | C9 | H5 | 123.5° | 142.9° |
| C10 | C11 | C9 | H6 | 115.3° | 95.0° |
| O | C9 | C11 | H5 | 119.4° | 118.9° |
| O | C9 | C11 | H6 | 119.4° | 119.0° |
| C9 | O | C8 | H4 | 163.7° | 78.3° |
| O | C9 | C11 | H9 | 123.4° | 94.7° |
| O | C9 | C11 | H10 | 115.2° | 142.6° |
| O | C9 | H5 | H6 | 121.7° | 122.4° |
| C9 | C11 | C10 | H7 | 139.0° | 118.6° |
| C9 | C11 | C10 | H8 | 98.5° | 118.6° |
| C9 | C11 | H9 | H10 | 122.2° | 122.7° |
| C11 | C9 | H5 | H6 | 121.7° | 122.2° |
| H15 | C16 | C17 | H16 | 0.8° | 0.1° |
| H16 | C17 | C18 | H17 | 0.3° | 0.2° |
| H17 | C18 | C15 | H14 | 1.1° | 0.1° |
| H2 | C5 | C4 | H1 | 0.7° | 0.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.0° |
| H4 | C8 | C10 | H7 | 80.9° | 146.5° |
| H4 | C8 | C10 | H8 | 41.5° | 23.7° |
| H7 | C10 | C11 | H9 | 19.8° | 0.1° |
| H7 | C10 | C11 | H10 | 101.8° | 122.7° |
| H8 | C10 | C11 | H9 | 142.2° | 122.7° |
| H8 | C10 | C11 | H10 | 20.7° | 0.1° |
| H9 | C11 | C9 | H5 | 117.2° | 24.2° |
| H9 | C11 | C9 | H6 | 3.9° | 146.3° |
| H10 | C11 | C9 | H5 | 4.3° | 98.5° |
| H10 | C11 | C9 | H6 | 125.4° | 23.7° |
