E9K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C7 | C5 | sing | 1.51Å | 1.53Å | |
| C7 | C1 | sing | 1.52Å | 1.51Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.52Å | 1.48Å | |
| C1 | N2 | sing | 1.48Å | 1.50Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C2 | N2 | sing | 1.46Å | 1.49Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| N2 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | O6 | 110.6° | 109.5° |
| C6 | C5 | C7 | 107.9° | 108.8° |
| C6 | C5 | C4 | 112.6° | 108.8° |
| C6 | C5 | H7 | 107.6° | 108.7° |
| C5 | C6 | H8 | 109.2° | 109.5° |
| C5 | C6 | H9 | 109.2° | 109.5° |
| O6 | C6 | H8 | 109.2° | 109.4° |
| O6 | C6 | H9 | 109.2° | 109.4° |
| C6 | O6 | H10 | 109.5° | 114.0° |
| C5 | C7 | C1 | 118.0° | 112.2° |
| C7 | C5 | C4 | 113.5° | 112.9° |
| C5 | C7 | H1 | 107.3° | 108.9° |
| C5 | C7 | H2 | 107.3° | 108.9° |
| C7 | C5 | H7 | 107.5° | 108.8° |
| C7 | C1 | C2 | 120.9° | 120.7° |
| C7 | C1 | N2 | 115.6° | 116.1° |
| C1 | C7 | H1 | 107.3° | 109.0° |
| C1 | C7 | H2 | 107.3° | 108.9° |
| C7 | C1 | H5 | 116.0° | 115.5° |
| C5 | C4 | O4 | 109.5° | 108.7° |
| C5 | C4 | C3 | 111.5° | 112.9° |
| C5 | C4 | H3 | 108.9° | 108.8° |
| C4 | C5 | H7 | 107.5° | 108.8° |
| C2 | C1 | N2 | 60.0° | 58.3° |
| C1 | C2 | C3 | 118.3° | 120.1° |
| C1 | C2 | N2 | 60.7° | 59.4° |
| C1 | C2 | H4 | 117.6° | 115.9° |
| C2 | C1 | H5 | 116.5° | 117.4° |
| C1 | N2 | C2 | 59.2° | 62.3° |
| N2 | C1 | H5 | 116.0° | 116.7° |
| C1 | N2 | H13 | 120.1° | 111.0° |
| O4 | C4 | C3 | 107.8° | 108.8° |
| O4 | C4 | H3 | 110.1° | 108.8° |
| C4 | O4 | H6 | 109.5° | 114.0° |
| C4 | C3 | C2 | 113.1° | 112.7° |
| C4 | C3 | O3 | 109.6° | 108.9° |
| C3 | C4 | H3 | 109.0° | 108.8° |
| C4 | C3 | H11 | 108.0° | 108.8° |
| C2 | C3 | O3 | 109.0° | 108.9° |
| C3 | C2 | N2 | 114.5° | 120.5° |
| C3 | C2 | H4 | 116.6° | 114.3° |
| C2 | C3 | H11 | 107.9° | 108.9° |
| O3 | C3 | H11 | 109.2° | 108.7° |
| C3 | O3 | H12 | 109.5° | 114.0° |
| N2 | C2 | H4 | 117.3° | 116.0° |
| C2 | N2 | H13 | 120.1° | 111.0° |
| H1 | C7 | H2 | 109.5° | 108.8° |
| H8 | C6 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | O6 | H8 | 120.2° | 120.0° |
| C5 | C6 | O6 | H9 | 120.2° | 120.1° |
| C6 | C5 | C7 | C4 | 125.4° | 120.9° |
| C6 | C5 | C7 | H7 | 115.8° | 118.2° |
| C6 | C5 | C7 | C1 | 149.8° | 167.4° |
| C6 | C5 | C4 | H7 | 118.3° | 118.3° |
| C6 | C5 | C4 | O4 | 65.0° | 55.4° |
| C6 | C5 | C4 | C3 | 175.8° | 176.3° |
| C6 | C5 | C7 | H1 | 89.0° | 46.6° |
| C6 | C5 | C7 | H2 | 28.5° | 71.9° |
| C6 | C5 | C4 | H3 | 55.4° | 62.9° |
| C5 | C6 | H8 | H9 | 119.5° | 120.1° |
| C5 | C6 | O6 | H10 | 180.0° | 180.0° |
| O6 | C6 | C5 | C7 | 64.6° | 175.0° |
| O6 | C6 | C5 | C4 | 61.4° | 61.6° |
| O6 | C6 | C5 | H7 | 179.7° | 56.7° |
| O6 | C6 | H8 | H9 | 119.5° | 119.9° |
| C5 | C7 | C1 | H1 | 121.2° | 120.7° |
| C5 | C7 | C1 | H2 | 121.2° | 120.7° |
| C7 | C5 | C4 | H7 | 118.8° | 120.9° |
| C5 | C7 | C1 | C2 | 2.1° | 19.2° |
| C5 | C7 | C1 | N2 | 66.9° | 86.3° |
| C7 | C5 | C4 | O4 | 172.1° | 176.3° |
| C7 | C5 | C4 | C3 | 52.9° | 62.9° |
| C5 | C7 | H1 | H2 | 116.1° | 118.7° |
| C7 | C5 | C4 | H3 | 67.5° | 58.0° |
| C5 | C7 | C1 | H5 | 152.4° | 131.8° |
| C7 | C5 | C6 | H8 | 55.6° | 65.0° |
| C7 | C5 | C6 | H9 | 175.3° | 55.0° |
| C1 | C7 | C5 | C4 | 24.3° | 46.5° |
| C7 | C1 | C2 | N2 | 103.7° | 103.6° |
| C7 | C1 | C2 | H5 | 150.2° | 150.4° |
| C7 | C1 | N2 | H5 | 140.7° | 141.5° |
| C7 | C1 | C2 | C3 | 0.1° | 6.2° |
| C1 | C7 | H1 | H2 | 116.1° | 118.6° |
| C7 | C1 | C2 | H4 | 148.8° | 150.2° |
| C1 | C7 | C5 | H7 | 94.4° | 74.4° |
| C7 | C1 | N2 | H13 | 138.3° | 145.1° |
| C5 | C4 | O4 | C3 | 121.5° | 123.3° |
| C5 | C4 | O4 | H3 | 119.7° | 118.3° |
| C5 | C4 | C3 | H3 | 120.3° | 120.9° |
| C5 | C4 | C3 | C2 | 55.2° | 46.9° |
| C5 | C4 | C3 | O3 | 176.9° | 167.8° |
| C4 | C5 | C7 | H1 | 145.6° | 74.3° |
| C4 | C5 | C7 | H2 | 96.9° | 167.2° |
| C5 | C4 | O4 | H6 | 180.0° | 176.7° |
| C4 | C5 | C6 | H8 | 178.4° | 58.3° |
| C4 | C5 | C6 | H9 | 58.8° | 178.3° |
| C5 | C4 | C3 | H11 | 64.2° | 73.9° |
| C2 | C1 | N2 | H5 | 106.9° | 107.1° |
| C1 | C2 | C3 | C4 | 28.9° | 19.5° |
| C1 | C2 | C3 | N2 | 68.6° | 70.0° |
| C1 | C2 | C3 | H4 | 149.0° | 144.5° |
| C1 | C2 | C3 | O3 | 151.0° | 140.3° |
| C1 | C2 | N2 | H4 | 107.9° | 106.0° |
| C2 | C1 | C7 | H1 | 119.1° | 101.5° |
| C2 | C1 | C7 | H2 | 123.3° | 139.9° |
| C1 | C2 | C3 | H11 | 90.5° | 101.4° |
| C2 | C1 | N2 | H13 | 109.3° | 103.5° |
| N2 | C1 | C7 | H1 | 171.9° | 34.4° |
| N2 | C1 | C7 | H2 | 54.3° | 153.0° |
| O4 | C4 | C3 | H3 | 119.5° | 118.4° |
| O4 | C4 | C3 | C2 | 175.4° | 167.7° |
| O4 | C4 | C3 | O3 | 62.8° | 71.4° |
| O4 | C4 | C5 | H7 | 53.3° | 62.9° |
| O4 | C4 | C3 | H11 | 56.1° | 46.8° |
| C4 | C3 | C2 | O3 | 122.1° | 120.9° |
| C4 | C3 | C2 | H11 | 119.4° | 120.8° |
| C4 | C3 | O3 | H11 | 118.1° | 118.4° |
| C4 | C3 | C2 | N2 | 39.7° | 50.5° |
| C4 | C3 | C2 | H4 | 177.9° | 164.0° |
| C3 | C4 | O4 | H6 | 58.5° | 60.0° |
| C3 | C4 | C5 | H7 | 65.9° | 58.0° |
| C4 | C3 | O3 | H12 | 180.0° | 59.9° |
| C2 | C3 | O3 | H11 | 117.7° | 118.4° |
| C3 | C2 | N2 | H4 | 142.1° | 144.9° |
| C2 | C3 | C4 | H3 | 65.1° | 73.9° |
| C3 | C2 | C1 | H5 | 150.1° | 144.2° |
| C2 | C3 | O3 | H12 | 55.8° | 176.9° |
| C3 | C2 | N2 | H13 | 140.8° | 147.5° |
| O3 | C3 | C2 | N2 | 82.4° | 70.3° |
| O3 | C3 | C4 | H3 | 56.6° | 46.9° |
| O3 | C3 | C2 | H4 | 60.0° | 75.1° |
| N2 | C2 | C3 | H11 | 159.1° | 171.4° |
| H1 | C7 | C1 | H5 | 31.2° | 107.5° |
| H1 | C7 | C5 | H7 | 26.8° | 164.9° |
| H2 | C7 | C1 | H5 | 86.4° | 11.1° |
| H2 | C7 | C5 | H7 | 144.3° | 46.3° |
| H3 | C4 | O4 | H6 | 60.3° | 58.4° |
| H3 | C4 | C5 | H7 | 173.8° | 178.8° |
| H3 | C4 | C3 | H11 | 175.6° | 165.2° |
| H4 | C2 | C1 | H5 | 1.3° | 0.3° |
| H4 | C2 | C3 | H11 | 58.5° | 43.2° |
| H4 | C2 | N2 | H13 | 1.3° | 2.6° |
| H5 | C1 | N2 | H13 | 2.3° | 3.7° |
| H7 | C5 | C6 | H8 | 60.1° | 176.7° |
| H7 | C5 | C6 | H9 | 59.5° | 63.3° |
| H8 | C6 | O6 | H10 | 59.8° | 60.0° |
| H9 | C6 | O6 | H10 | 59.8° | 59.9° |
| H11 | C3 | O3 | H12 | 61.9° | 58.5° |
