K5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | S13 | doub | 1.42Å | 1.42Å | |
| S13 | C14 | sing | 1.81Å | 1.81Å | |
| S13 | O16 | doub | 1.42Å | 1.43Å | |
| S13 | N1 | sing | 1.66Å | 1.66Å | |
| N1 | C11 | sing | 1.35Å | 1.35Å | |
| C11 | O12 | doub | 1.22Å | 1.22Å | |
| C11 | C4 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| O24 | C23 | doub | 1.22Å | 1.22Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C22 | N17 | sing | 1.47Å | 1.46Å | |
| C8 | N9 | sing | 1.47Å | 1.47Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C23 | N9 | sing | 1.35Å | 1.35Å | |
| C23 | C18 | sing | 1.47Å | 1.48Å | |
| N17 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| N17 | N21 | sing | 1.28Å | 1.28Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| N21 | C20 | doub | 1.32Å | 1.31Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | C25 | sing | 1.48Å | 1.49Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| N9 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | S13 | C14 | 111.2° | 110.6° |
| O15 | S13 | O16 | 120.2° | 121.0° |
| O15 | S13 | N1 | 105.6° | 104.3° |
| C14 | S13 | O16 | 110.2° | 110.5° |
| C14 | S13 | N1 | 105.4° | 104.5° |
| S13 | C14 | H19 | 109.5° | 109.4° |
| S13 | C14 | H20 | 109.5° | 109.5° |
| S13 | C14 | H21 | 109.5° | 109.4° |
| O16 | S13 | N1 | 102.7° | 104.3° |
| S13 | N1 | C11 | 122.8° | 120.0° |
| S13 | N1 | H1 | 118.6° | 120.0° |
| N1 | C11 | O12 | 120.9° | 120.0° |
| N1 | C11 | C4 | 118.7° | 120.0° |
| C11 | N1 | H1 | 118.6° | 120.0° |
| O12 | C11 | C4 | 120.3° | 120.0° |
| C11 | C4 | C5 | 119.8° | 120.1° |
| C11 | C4 | C3 | 121.1° | 120.1° |
| C4 | C5 | C6 | 120.8° | 119.8° |
| C5 | C4 | C3 | 119.1° | 119.8° |
| C4 | C5 | H2 | 119.6° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.1° |
| C6 | C5 | H2 | 119.6° | 120.1° |
| C5 | C6 | H3 | 120.1° | 119.9° |
| C4 | C3 | C2 | 119.7° | 119.8° |
| C4 | C3 | H16 | 120.1° | 120.1° |
| C6 | C7 | C2 | 119.8° | 120.3° |
| C6 | C7 | C8 | 119.5° | 119.8° |
| C7 | C6 | H3 | 120.1° | 119.9° |
| O24 | C23 | N9 | 119.8° | 120.0° |
| O24 | C23 | C18 | 119.5° | 120.0° |
| C3 | C2 | C7 | 120.8° | 120.2° |
| C2 | C3 | H16 | 120.2° | 120.1° |
| C3 | C2 | H17 | 119.6° | 119.9° |
| C2 | C7 | C8 | 120.6° | 119.9° |
| C7 | C2 | H17 | 119.6° | 119.9° |
| C7 | C8 | N9 | 107.0° | 109.5° |
| C7 | C8 | C10 | 108.8° | 109.5° |
| C7 | C8 | H4 | 109.9° | 109.5° |
| C22 | N17 | C18 | 126.0° | 125.1° |
| C22 | N17 | N21 | 123.7° | 125.1° |
| N17 | C22 | H8 | 109.5° | 109.5° |
| N17 | C22 | H9 | 109.5° | 109.5° |
| N17 | C22 | H10 | 109.4° | 109.5° |
| N9 | C8 | C10 | 110.8° | 109.5° |
| C8 | N9 | C23 | 121.5° | 120.0° |
| N9 | C8 | H4 | 110.5° | 109.5° |
| C8 | N9 | H22 | 119.3° | 120.0° |
| C10 | C8 | H4 | 109.7° | 109.5° |
| C8 | C10 | H5 | 109.5° | 109.4° |
| C8 | C10 | H6 | 109.5° | 109.4° |
| C8 | C10 | H7 | 109.5° | 109.4° |
| N9 | C23 | C18 | 120.6° | 120.0° |
| C23 | N9 | H22 | 119.2° | 120.0° |
| C23 | C18 | N17 | 126.9° | 126.8° |
| C23 | C18 | C19 | 127.2° | 126.8° |
| C18 | N17 | N21 | 110.3° | 109.9° |
| N17 | C18 | C19 | 105.9° | 106.5° |
| N17 | N21 | C20 | 110.9° | 110.8° |
| C18 | C19 | C20 | 105.4° | 105.3° |
| C18 | C19 | H18 | 127.3° | 127.4° |
| N21 | C20 | C19 | 107.6° | 107.5° |
| N21 | C20 | C25 | 124.9° | 126.3° |
| C19 | C20 | C25 | 127.5° | 126.2° |
| C20 | C19 | H18 | 127.3° | 127.3° |
| C20 | C25 | C26 | 119.7° | 120.1° |
| C20 | C25 | C30 | 120.4° | 120.2° |
| C26 | C25 | C30 | 120.0° | 119.7° |
| C25 | C26 | C29 | 119.1° | 119.9° |
| C25 | C26 | H11 | 120.5° | 120.1° |
| C25 | C30 | C28 | 120.4° | 119.9° |
| C25 | C30 | H15 | 119.8° | 120.1° |
| C26 | C29 | C27 | 120.7° | 120.2° |
| C29 | C26 | H11 | 120.4° | 120.1° |
| C26 | C29 | H14 | 119.7° | 119.9° |
| C30 | C28 | C27 | 119.6° | 120.1° |
| C30 | C28 | H12 | 120.2° | 120.0° |
| C28 | C30 | H15 | 119.8° | 120.0° |
| C29 | C27 | C28 | 120.2° | 120.2° |
| C29 | C27 | H13 | 119.9° | 119.9° |
| C27 | C29 | H14 | 119.6° | 119.9° |
| C27 | C28 | H12 | 120.2° | 119.9° |
| C28 | C27 | H13 | 119.9° | 119.9° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | S13 | C14 | O16 | 135.9° | 136.7° |
| O15 | S13 | C14 | N1 | 113.9° | 111.6° |
| O15 | S13 | O16 | N1 | 116.8° | 116.7° |
| O15 | S13 | N1 | C11 | 178.0° | 178.9° |
| O15 | S13 | N1 | H1 | 2.0° | 1.4° |
| O15 | S13 | C14 | H19 | 180.0° | 68.4° |
| O15 | S13 | C14 | H20 | 60.0° | 171.6° |
| O15 | S13 | C14 | H21 | 60.0° | 51.6° |
| C14 | S13 | O16 | N1 | 111.9° | 111.8° |
| C14 | S13 | N1 | C11 | 60.2° | 65.0° |
| C14 | S13 | N1 | H1 | 119.8° | 114.7° |
| S13 | C14 | H19 | H20 | 120.0° | 120.0° |
| S13 | C14 | H19 | H21 | 120.0° | 119.9° |
| S13 | C14 | H20 | H21 | 120.0° | 120.0° |
| O16 | S13 | N1 | C11 | 55.2° | 51.1° |
| O16 | S13 | N1 | H1 | 124.7° | 129.2° |
| O16 | S13 | C14 | H19 | 44.1° | 68.4° |
| O16 | S13 | C14 | H20 | 164.1° | 51.7° |
| O16 | S13 | C14 | H21 | 75.9° | 171.6° |
| S13 | N1 | C11 | H1 | 180.0° | 179.7° |
| S13 | N1 | C11 | O12 | 0.7° | 0.3° |
| S13 | N1 | C11 | C4 | 179.8° | 179.7° |
| N1 | S13 | C14 | H19 | 66.1° | 180.0° |
| N1 | S13 | C14 | H20 | 54.0° | 60.0° |
| N1 | S13 | C14 | H21 | 173.9° | 60.0° |
| N1 | C11 | O12 | C4 | 179.5° | 179.9° |
| N1 | C11 | C4 | C5 | 15.8° | 0.2° |
| N1 | C11 | C4 | C3 | 163.5° | 180.0° |
| O12 | C11 | C4 | C5 | 163.7° | 179.7° |
| O12 | C11 | C4 | C3 | 17.0° | 0.1° |
| O12 | C11 | N1 | H1 | 179.3° | 180.0° |
| C11 | C4 | C5 | C3 | 179.3° | 179.8° |
| C11 | C4 | C5 | C6 | 178.8° | 179.7° |
| C11 | C4 | C3 | C2 | 179.3° | 179.8° |
| C4 | C11 | N1 | H1 | 0.2° | 0.0° |
| C11 | C4 | C5 | H2 | 1.2° | 0.2° |
| C11 | C4 | C3 | H16 | 0.7° | 0.2° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.3° | 0.1° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | H3 | 178.7° | 180.0° |
| C5 | C4 | C3 | H16 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 1.6° | 0.0° |
| C5 | C6 | C7 | C8 | 179.2° | 180.0° |
| C4 | C3 | C2 | H16 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.3° | 0.0° |
| C3 | C4 | C5 | H2 | 179.6° | 180.0° |
| C4 | C3 | C2 | H17 | 179.7° | 180.0° |
| C6 | C7 | C2 | C3 | 1.2° | 0.0° |
| C6 | C7 | C2 | C8 | 177.5° | 180.0° |
| C6 | C7 | C8 | N9 | 124.1° | 140.0° |
| C6 | C7 | C8 | C10 | 116.1° | 100.0° |
| C7 | C6 | C5 | H2 | 178.7° | 180.0° |
| C6 | C7 | C8 | H4 | 4.1° | 20.0° |
| C6 | C7 | C2 | H17 | 178.8° | 180.0° |
| O24 | C23 | N9 | C8 | 3.1° | 5.2° |
| O24 | C23 | N9 | C18 | 180.0° | 179.9° |
| O24 | C23 | C18 | N17 | 21.7° | 5.0° |
| O24 | C23 | C18 | C19 | 156.2° | 175.0° |
| O24 | C23 | N9 | H22 | 176.9° | 174.9° |
| C3 | C2 | C7 | H17 | 180.0° | 179.9° |
| C3 | C2 | C7 | C8 | 178.7° | 180.0° |
| C2 | C7 | C8 | N9 | 53.4° | 40.0° |
| C2 | C7 | C8 | C10 | 66.4° | 80.0° |
| C2 | C7 | C6 | H3 | 178.4° | 179.9° |
| C2 | C7 | C8 | H4 | 173.5° | 160.0° |
| C7 | C2 | C3 | H16 | 179.7° | 180.0° |
| C7 | C8 | N9 | C10 | 118.5° | 120.0° |
| C7 | C8 | N9 | H4 | 119.7° | 120.0° |
| C7 | C8 | C10 | H4 | 120.3° | 120.0° |
| C7 | C8 | N9 | C23 | 73.9° | 155.0° |
| C8 | C7 | C6 | H3 | 0.8° | 0.1° |
| C7 | C8 | C10 | H5 | 180.0° | 60.0° |
| C7 | C8 | C10 | H6 | 60.0° | 180.0° |
| C7 | C8 | C10 | H7 | 60.0° | 60.0° |
| C8 | C7 | C2 | H17 | 1.3° | 0.0° |
| C7 | C8 | N9 | H22 | 106.1° | 25.0° |
| C22 | N17 | C18 | C23 | 2.6° | 0.0° |
| C22 | N17 | C18 | N21 | 178.3° | 179.7° |
| C22 | N17 | C18 | C19 | 179.1° | 180.0° |
| C22 | N17 | N21 | C20 | 179.6° | 179.9° |
| N17 | C22 | H8 | H9 | 120.0° | 120.0° |
| N17 | C22 | H8 | H10 | 120.0° | 120.0° |
| N17 | C22 | H9 | H10 | 120.0° | 120.0° |
| N9 | C8 | C10 | H4 | 122.3° | 120.0° |
| C8 | N9 | C23 | H22 | 180.0° | 180.0° |
| C8 | N9 | C23 | C18 | 176.9° | 174.9° |
| N9 | C8 | C10 | H5 | 62.6° | 60.0° |
| N9 | C8 | C10 | H6 | 177.4° | 60.0° |
| N9 | C8 | C10 | H7 | 57.4° | 180.0° |
| C10 | C8 | N9 | C23 | 167.6° | 85.0° |
| C8 | C10 | H5 | H6 | 120.0° | 120.0° |
| C8 | C10 | H5 | H7 | 120.0° | 120.0° |
| C8 | C10 | H6 | H7 | 120.0° | 120.0° |
| C10 | C8 | N9 | H22 | 12.3° | 95.0° |
| N9 | C23 | C18 | N17 | 158.3° | 174.9° |
| N9 | C23 | C18 | C19 | 23.7° | 5.1° |
| C23 | N9 | C8 | H4 | 45.8° | 35.0° |
| C23 | C18 | N17 | C19 | 178.3° | 180.0° |
| C23 | C18 | N17 | N21 | 179.1° | 179.8° |
| C23 | C18 | C19 | C20 | 178.4° | 180.0° |
| C23 | C18 | C19 | H18 | 1.6° | 0.0° |
| C18 | C23 | N9 | H22 | 3.1° | 5.0° |
| C18 | N17 | N21 | C20 | 1.2° | 0.4° |
| N17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | N17 | C22 | H8 | 178.1° | 84.4° |
| C18 | N17 | C22 | H9 | 61.9° | 155.6° |
| C18 | N17 | C22 | H10 | 58.1° | 35.6° |
| N17 | C18 | C19 | H18 | 179.9° | 180.0° |
| N21 | N17 | C18 | C19 | 0.8° | 0.2° |
| N17 | N21 | C20 | C19 | 1.1° | 0.4° |
| N17 | N21 | C20 | C25 | 178.4° | 179.8° |
| N21 | N17 | C22 | H8 | 0.0° | 95.9° |
| N21 | N17 | C22 | H9 | 120.0° | 24.1° |
| N21 | N17 | C22 | H10 | 120.0° | 144.1° |
| C18 | C19 | C20 | N21 | 0.5° | 0.2° |
| C18 | C19 | C20 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | C25 | 177.8° | 180.0° |
| N21 | C20 | C19 | C25 | 177.2° | 179.8° |
| N21 | C20 | C25 | C26 | 4.5° | 0.3° |
| N21 | C20 | C25 | C30 | 173.9° | 179.7° |
| N21 | C20 | C19 | H18 | 179.4° | 179.8° |
| C19 | C20 | C25 | C26 | 178.7° | 180.0° |
| C19 | C20 | C25 | C30 | 2.9° | 0.0° |
| C20 | C25 | C26 | C30 | 178.4° | 180.0° |
| C20 | C25 | C26 | C29 | 179.6° | 180.0° |
| C20 | C25 | C30 | C28 | 178.0° | 179.5° |
| C20 | C25 | C26 | H11 | 0.4° | 0.3° |
| C20 | C25 | C30 | H15 | 2.1° | 0.2° |
| C25 | C20 | C19 | H18 | 2.2° | 0.0° |
| C25 | C26 | C29 | H11 | 180.0° | 179.7° |
| C26 | C25 | C30 | C28 | 0.4° | 0.5° |
| C25 | C26 | C29 | C27 | 1.6° | 0.3° |
| C25 | C26 | C29 | H14 | 178.4° | 179.8° |
| C26 | C25 | C30 | H15 | 179.5° | 179.7° |
| C30 | C25 | C26 | C29 | 1.1° | 0.0° |
| C25 | C30 | C28 | H15 | 180.0° | 179.3° |
| C25 | C30 | C28 | C27 | 1.5° | 0.7° |
| C30 | C25 | C26 | H11 | 178.8° | 179.7° |
| C25 | C30 | C28 | H12 | 178.5° | 179.3° |
| C26 | C29 | C27 | H14 | 180.0° | 180.0° |
| C26 | C29 | C27 | C28 | 0.6° | 0.0° |
| C26 | C29 | C27 | H13 | 179.4° | 179.5° |
| C30 | C28 | C27 | C29 | 1.0° | 0.5° |
| C30 | C28 | C27 | H12 | 180.0° | 180.0° |
| C30 | C28 | C27 | H13 | 179.0° | 180.0° |
| C29 | C27 | C28 | H13 | 180.0° | 179.5° |
| C27 | C29 | C26 | H11 | 178.3° | 180.0° |
| C29 | C27 | C28 | H12 | 179.0° | 179.5° |
| C28 | C27 | C29 | H14 | 179.5° | 180.0° |
| C27 | C28 | C30 | H15 | 178.4° | 180.0° |
| H2 | C5 | C6 | H3 | 1.2° | 0.1° |
| H4 | C8 | C10 | H5 | 59.7° | 180.0° |
| H4 | C8 | C10 | H6 | 60.3° | 60.0° |
| H4 | C8 | C10 | H7 | 179.7° | 60.0° |
| H4 | C8 | N9 | H22 | 134.2° | 145.0° |
| H5 | C10 | H6 | H7 | 120.0° | 120.1° |
| H8 | C22 | H9 | H10 | 120.0° | 120.0° |
| H11 | C26 | C29 | H14 | 1.6° | 0.1° |
| H12 | C28 | C27 | H13 | 1.0° | 0.0° |
| H12 | C28 | C30 | H15 | 1.5° | 0.0° |
| H13 | C27 | C29 | H14 | 0.5° | 0.5° |
| H16 | C3 | C2 | H17 | 0.3° | 0.0° |
| H19 | C14 | H20 | H21 | 120.0° | 120.1° |
