5KN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| O | C5 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| N1 | C3 | sing | 1.40Å | 1.41Å | |
| C3 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | N2 | sing | 1.47Å | 1.46Å | |
| C12 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | N2 | sing | 1.40Å | 1.42Å | |
| C9 | C | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| O1 | C11 | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.39Å | 1.39Å | Aromatic |
| C | N | sing | 1.40Å | 1.36Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C6 | C7 | 117.2° | 109.3° |
| C6 | O | C5 | 109.6° | 113.8° |
| O | C6 | H8 | 107.5° | 109.5° |
| O | C6 | H9 | 107.5° | 109.5° |
| C6 | C7 | N1 | 111.9° | 109.2° |
| C7 | C6 | H8 | 107.5° | 109.5° |
| C7 | C6 | H9 | 107.5° | 109.5° |
| C6 | C7 | H10 | 108.8° | 109.5° |
| C6 | C7 | H11 | 108.9° | 109.5° |
| O | C5 | C4 | 106.6° | 109.2° |
| O | C5 | H6 | 110.2° | 109.5° |
| O | C5 | H7 | 110.2° | 109.5° |
| C5 | C4 | N1 | 110.5° | 109.3° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C5 | C4 | H5 | 109.2° | 109.5° |
| C4 | C5 | H6 | 110.2° | 109.5° |
| C4 | C5 | H7 | 110.2° | 109.5° |
| C7 | N1 | C4 | 123.1° | 110.8° |
| C7 | N1 | C3 | 117.5° | 111.0° |
| N1 | C7 | H10 | 108.9° | 109.6° |
| N1 | C7 | H11 | 108.9° | 109.5° |
| C4 | N1 | C3 | 119.4° | 111.0° |
| N1 | C4 | H4 | 109.2° | 109.5° |
| N1 | C4 | H5 | 109.2° | 109.5° |
| N1 | C3 | C8 | 123.1° | 120.0° |
| N1 | C3 | C2 | 118.2° | 120.0° |
| C8 | C3 | C2 | 118.7° | 120.0° |
| C3 | C8 | C9 | 120.9° | 119.9° |
| C3 | C8 | H3 | 119.6° | 120.0° |
| C3 | C2 | C1 | 120.7° | 120.1° |
| C3 | C2 | H2 | 119.7° | 119.9° |
| C8 | C9 | N2 | 119.2° | 120.0° |
| C8 | C9 | C | 118.5° | 119.9° |
| C9 | C8 | H3 | 119.5° | 120.0° |
| C12 | C13 | N2 | 108.4° | 109.3° |
| C13 | C12 | O1 | 109.4° | 109.3° |
| C12 | C13 | H16 | 109.7° | 109.5° |
| C12 | C13 | H17 | 109.8° | 109.5° |
| C13 | C12 | H18 | 109.5° | 109.5° |
| C13 | C12 | H19 | 109.5° | 109.5° |
| C13 | N2 | C9 | 119.4° | 111.0° |
| C13 | N2 | C10 | 117.8° | 110.7° |
| N2 | C13 | H16 | 109.7° | 109.5° |
| N2 | C13 | H17 | 109.7° | 109.5° |
| C12 | O1 | C11 | 113.8° | 113.8° |
| O1 | C12 | H18 | 109.5° | 109.5° |
| O1 | C12 | H19 | 109.5° | 109.4° |
| C2 | C1 | C | 120.8° | 120.0° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| N2 | C9 | C | 122.3° | 120.1° |
| C9 | N2 | C10 | 122.8° | 111.0° |
| C9 | C | C1 | 120.3° | 120.0° |
| C9 | C | N | 125.1° | 120.0° |
| N2 | C10 | C11 | 108.5° | 109.3° |
| N2 | C10 | H12 | 109.7° | 109.5° |
| N2 | C10 | H13 | 109.7° | 109.6° |
| O1 | C11 | C10 | 112.3° | 109.2° |
| O1 | C11 | H20 | 108.8° | 109.5° |
| O1 | C11 | H21 | 108.8° | 109.6° |
| C1 | C | N | 114.6° | 120.0° |
| C | C1 | H1 | 119.6° | 120.0° |
| C | N | H14 | 109.5° | 120.0° |
| C | N | H15 | 109.5° | 120.0° |
| C11 | C10 | H12 | 109.7° | 109.5° |
| C11 | C10 | H13 | 109.7° | 109.5° |
| C10 | C11 | H20 | 108.8° | 109.5° |
| C10 | C11 | H21 | 108.7° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | N | H15 | 109.5° | 120.0° |
| H16 | C13 | H17 | 109.5° | 109.6° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C6 | C7 | H8 | 121.1° | 120.0° |
| O | C6 | C7 | H9 | 121.1° | 119.9° |
| C6 | O | C5 | C4 | 72.1° | 58.7° |
| O | C6 | C7 | N1 | 21.1° | 56.8° |
| C6 | O | C5 | H6 | 168.4° | 61.2° |
| C6 | O | C5 | H7 | 47.5° | 178.6° |
| O | C6 | H8 | H9 | 116.5° | 120.1° |
| O | C6 | C7 | H10 | 141.5° | 176.8° |
| O | C6 | C7 | H11 | 99.2° | 63.1° |
| C7 | C6 | O | C5 | 55.6° | 58.6° |
| C6 | C7 | N1 | H10 | 120.4° | 120.0° |
| C6 | C7 | N1 | H11 | 120.4° | 119.9° |
| C6 | C7 | N1 | C4 | 7.3° | 58.6° |
| C6 | C7 | N1 | C3 | 173.8° | 177.7° |
| C7 | C6 | H8 | H9 | 116.5° | 120.1° |
| C6 | C7 | H10 | H11 | 118.9° | 120.0° |
| O | C5 | C4 | H6 | 119.5° | 119.9° |
| O | C5 | C4 | H7 | 119.6° | 120.0° |
| O | C5 | C4 | N1 | 55.8° | 56.9° |
| O | C5 | C4 | H4 | 64.3° | 63.1° |
| O | C5 | C4 | H5 | 176.0° | 176.9° |
| O | C5 | H6 | H7 | 121.3° | 120.2° |
| C5 | O | C6 | H8 | 65.5° | 178.6° |
| C5 | O | C6 | H9 | 176.7° | 61.3° |
| C5 | C4 | N1 | C7 | 25.0° | 58.7° |
| C5 | C4 | N1 | H4 | 120.1° | 120.0° |
| C5 | C4 | N1 | H5 | 120.1° | 119.9° |
| C5 | C4 | N1 | C3 | 156.1° | 177.6° |
| C5 | C4 | H4 | H5 | 119.5° | 120.0° |
| C4 | C5 | H6 | H7 | 121.3° | 120.1° |
| C7 | N1 | C4 | C3 | 178.9° | 123.7° |
| C7 | N1 | C3 | C8 | 19.3° | 180.0° |
| C7 | N1 | C3 | C2 | 161.1° | 0.0° |
| C7 | N1 | C4 | H4 | 95.1° | 61.3° |
| C7 | N1 | C4 | H5 | 145.2° | 178.6° |
| N1 | C7 | C6 | H8 | 100.0° | 176.8° |
| N1 | C7 | C6 | H9 | 142.2° | 63.1° |
| N1 | C7 | H10 | H11 | 118.9° | 120.1° |
| C4 | N1 | C3 | C8 | 159.6° | 56.4° |
| C4 | N1 | C3 | C2 | 20.0° | 123.6° |
| N1 | C4 | H4 | H5 | 119.5° | 120.1° |
| N1 | C4 | C5 | H6 | 175.4° | 63.0° |
| N1 | C4 | C5 | H7 | 63.7° | 176.9° |
| C4 | N1 | C7 | H10 | 127.7° | 178.6° |
| C4 | N1 | C7 | H11 | 113.1° | 61.3° |
| N1 | C3 | C8 | C2 | 179.6° | 180.0° |
| N1 | C3 | C8 | C9 | 180.0° | 180.0° |
| N1 | C3 | C2 | C1 | 179.9° | 179.9° |
| N1 | C3 | C2 | H2 | 0.0° | 0.0° |
| N1 | C3 | C8 | H3 | 0.0° | 0.1° |
| C3 | N1 | C4 | H4 | 83.8° | 62.4° |
| C3 | N1 | C4 | H5 | 36.0° | 57.6° |
| C3 | N1 | C7 | H10 | 53.5° | 57.7° |
| C3 | N1 | C7 | H11 | 65.8° | 62.4° |
| C3 | C8 | C9 | H3 | 180.0° | 179.9° |
| C8 | C3 | C2 | C1 | 0.4° | 0.1° |
| C3 | C8 | C9 | N2 | 179.6° | 180.0° |
| C3 | C8 | C9 | C | 0.1° | 0.0° |
| C8 | C3 | C2 | H2 | 179.6° | 180.0° |
| C2 | C3 | C8 | C9 | 0.3° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 179.9° | 179.8° |
| C2 | C3 | C8 | H3 | 179.7° | 179.9° |
| C8 | C9 | N2 | C13 | 42.1° | 10.1° |
| C8 | C9 | N2 | C | 179.7° | 180.0° |
| C8 | C9 | N2 | C10 | 135.5° | 113.5° |
| C8 | C9 | C | C1 | 0.4° | 0.0° |
| C8 | C9 | C | N | 179.8° | 179.8° |
| C12 | C13 | N2 | H16 | 119.8° | 119.9° |
| C12 | C13 | N2 | H17 | 119.9° | 120.0° |
| C13 | C12 | O1 | H18 | 120.0° | 120.0° |
| C13 | C12 | O1 | H19 | 120.0° | 119.9° |
| C12 | C13 | N2 | C9 | 167.4° | 177.6° |
| C12 | C13 | N2 | C10 | 14.8° | 58.6° |
| C13 | C12 | O1 | C11 | 67.1° | 58.7° |
| C12 | C13 | H16 | H17 | 120.5° | 120.2° |
| C13 | C12 | H18 | H19 | 120.0° | 120.1° |
| N2 | C13 | C12 | O1 | 45.6° | 56.8° |
| C13 | N2 | C9 | C10 | 177.6° | 123.6° |
| C13 | N2 | C9 | C | 138.2° | 170.0° |
| C13 | N2 | C10 | C11 | 56.0° | 58.6° |
| C13 | N2 | C10 | H12 | 63.9° | 178.5° |
| C13 | N2 | C10 | H13 | 175.8° | 61.3° |
| N2 | C13 | H16 | H17 | 120.4° | 120.0° |
| N2 | C13 | C12 | H18 | 165.6° | 176.8° |
| N2 | C13 | C12 | H19 | 74.4° | 63.0° |
| C12 | O1 | C11 | C10 | 23.1° | 58.7° |
| O1 | C12 | C13 | H16 | 165.4° | 63.1° |
| O1 | C12 | C13 | H17 | 74.2° | 176.7° |
| O1 | C12 | H18 | H19 | 120.1° | 120.0° |
| C12 | O1 | C11 | H20 | 143.6° | 61.2° |
| C12 | O1 | C11 | H21 | 97.3° | 178.6° |
| C2 | C1 | C | C9 | 0.4° | 0.1° |
| C2 | C1 | C | H1 | 180.0° | 179.9° |
| C2 | C1 | C | N | 179.9° | 179.8° |
| N2 | C9 | C | C1 | 179.2° | 180.0° |
| N2 | C9 | C | N | 0.5° | 0.3° |
| C9 | N2 | C10 | C11 | 126.4° | 177.6° |
| N2 | C9 | C8 | H3 | 0.4° | 0.0° |
| C9 | N2 | C10 | H12 | 113.8° | 57.7° |
| C9 | N2 | C10 | H13 | 6.5° | 62.5° |
| C9 | N2 | C13 | H16 | 72.8° | 62.4° |
| C9 | N2 | C13 | H17 | 47.6° | 57.7° |
| C | C9 | N2 | C10 | 44.1° | 66.4° |
| C9 | C | C1 | N | 179.8° | 179.7° |
| C9 | C | C1 | H1 | 179.7° | 179.8° |
| C | C9 | C8 | H3 | 179.9° | 179.9° |
| C9 | C | N | H14 | 180.0° | 172.1° |
| C9 | C | N | H15 | 60.0° | 7.9° |
| N2 | C10 | C11 | O1 | 35.2° | 56.9° |
| N2 | C10 | C11 | H12 | 119.9° | 119.9° |
| N2 | C10 | C11 | H13 | 119.9° | 120.0° |
| N2 | C10 | H12 | H13 | 120.5° | 120.2° |
| C10 | N2 | C13 | H16 | 105.0° | 61.3° |
| C10 | N2 | C13 | H17 | 134.7° | 178.6° |
| N2 | C10 | C11 | H20 | 85.3° | 63.0° |
| N2 | C10 | C11 | H21 | 155.6° | 176.8° |
| O1 | C11 | C10 | H20 | 120.4° | 119.9° |
| O1 | C11 | C10 | H21 | 120.4° | 120.0° |
| O1 | C11 | C10 | H12 | 84.7° | 176.8° |
| O1 | C11 | C10 | H13 | 155.0° | 63.1° |
| C11 | O1 | C12 | H18 | 172.9° | 178.6° |
| C11 | O1 | C12 | H19 | 52.8° | 61.2° |
| O1 | C11 | H20 | H21 | 118.7° | 120.2° |
| C | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C | N | H14 | 0.2° | 8.1° |
| C1 | C | N | H15 | 120.2° | 171.8° |
| N | C | C1 | H1 | 0.1° | 0.0° |
| C | N | H14 | H15 | 120.0° | 180.0° |
| C11 | C10 | H12 | H13 | 120.4° | 120.1° |
| C10 | C11 | H20 | H21 | 118.7° | 120.1° |
| H1 | C1 | C2 | H2 | 0.1° | 0.2° |
| H4 | C4 | C5 | H6 | 55.2° | 177.0° |
| H4 | C4 | C5 | H7 | 176.2° | 56.9° |
| H5 | C4 | C5 | H6 | 64.5° | 57.0° |
| H5 | C4 | C5 | H7 | 56.4° | 63.2° |
| H8 | C6 | C7 | H10 | 20.4° | 63.2° |
| H8 | C6 | C7 | H11 | 139.6° | 56.9° |
| H9 | C6 | C7 | H10 | 97.4° | 56.9° |
| H9 | C6 | C7 | H11 | 21.9° | 177.0° |
| H12 | C10 | C11 | H20 | 154.9° | 56.9° |
| H12 | C10 | C11 | H21 | 35.8° | 63.3° |
| H13 | C10 | C11 | H20 | 34.6° | 177.0° |
| H13 | C10 | C11 | H21 | 84.5° | 56.8° |
| H16 | C13 | C12 | H18 | 74.6° | 56.9° |
| H16 | C13 | C12 | H19 | 45.4° | 177.0° |
| H17 | C13 | C12 | H18 | 45.7° | 63.3° |
| H17 | C13 | C12 | H19 | 165.8° | 56.9° |
