EKA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| O12 | C03 | doub | 1.21Å | 1.19Å | |
| C02 | C03 | sing | 1.49Å | 1.56Å | |
| C02 | O13 | sing | 1.35Å | 1.21Å | |
| C03 | N04 | sing | 1.35Å | 1.42Å | |
| O05 | N04 | sing | 1.42Å | 1.49Å | |
| N04 | C06 | sing | 1.46Å | 1.49Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C06 | C11 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C08 | C09 | sing | 1.53Å | 1.49Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O05 | H12 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 121.6° | 120.0° |
| O01 | C02 | O13 | 116.9° | 120.0° |
| O12 | C03 | C02 | 113.2° | 120.0° |
| O12 | C03 | N04 | 119.1° | 120.0° |
| C03 | C02 | O13 | 121.1° | 120.0° |
| C02 | C03 | N04 | 127.5° | 120.0° |
| C02 | O13 | H13 | 109.5° | 117.0° |
| C03 | N04 | O05 | 116.0° | 120.0° |
| C03 | N04 | C06 | 122.9° | 120.0° |
| O05 | N04 | C06 | 120.7° | 120.0° |
| N04 | O05 | H12 | 109.5° | 114.0° |
| N04 | C06 | C07 | 105.3° | 109.5° |
| N04 | C06 | C11 | 113.3° | 109.5° |
| N04 | C06 | H1 | 107.4° | 109.5° |
| C07 | C06 | C11 | 116.7° | 109.5° |
| C06 | C07 | C08 | 112.2° | 109.5° |
| C07 | C06 | H1 | 106.6° | 109.5° |
| C06 | C07 | H2 | 108.8° | 109.5° |
| C06 | C07 | H3 | 108.8° | 109.5° |
| C06 | C11 | C10 | 112.0° | 109.5° |
| C11 | C06 | H1 | 107.0° | 109.4° |
| C06 | C11 | H10 | 108.8° | 109.5° |
| C06 | C11 | H11 | 108.8° | 109.5° |
| C07 | C08 | C09 | 111.2° | 109.4° |
| C08 | C07 | H2 | 108.8° | 109.5° |
| C08 | C07 | H3 | 108.8° | 109.5° |
| C07 | C08 | H4 | 109.0° | 109.4° |
| C07 | C08 | H5 | 109.0° | 109.5° |
| C11 | C10 | C09 | 109.9° | 109.5° |
| C11 | C10 | H8 | 109.4° | 109.5° |
| C11 | C10 | H9 | 109.4° | 109.5° |
| C10 | C11 | H10 | 108.8° | 109.4° |
| C10 | C11 | H11 | 108.8° | 109.4° |
| C08 | C09 | C10 | 114.0° | 109.5° |
| C09 | C08 | H4 | 109.0° | 109.5° |
| C09 | C08 | H5 | 109.0° | 109.5° |
| C08 | C09 | H6 | 108.4° | 109.4° |
| C08 | C09 | H7 | 108.4° | 109.5° |
| C10 | C09 | H6 | 108.3° | 109.5° |
| C10 | C09 | H7 | 108.3° | 109.4° |
| C09 | C10 | H8 | 109.4° | 109.5° |
| C09 | C10 | H9 | 109.4° | 109.5° |
| H2 | C07 | H3 | 109.5° | 109.4° |
| H4 | C08 | H5 | 109.4° | 109.5° |
| H6 | C09 | H7 | 109.4° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | O12 | 16.7° | 179.7° |
| O01 | C02 | C03 | O13 | 172.3° | 179.7° |
| O01 | C02 | C03 | N04 | 169.1° | 0.2° |
| O01 | C02 | O13 | H13 | 0.0° | 0.3° |
| O12 | C03 | C02 | N04 | 174.1° | 179.9° |
| O12 | C03 | C02 | O13 | 155.6° | 0.0° |
| O12 | C03 | N04 | O05 | 2.7° | 180.0° |
| O12 | C03 | N04 | C06 | 175.4° | 0.1° |
| C02 | C03 | N04 | O05 | 176.6° | 0.0° |
| C02 | C03 | N04 | C06 | 10.7° | 180.0° |
| C03 | C02 | O13 | H13 | 172.7° | 179.9° |
| O13 | C02 | C03 | N04 | 18.6° | 180.0° |
| C03 | N04 | O05 | C06 | 172.8° | 180.0° |
| C03 | N04 | C06 | C07 | 101.1° | 60.0° |
| C03 | N04 | C06 | C11 | 130.1° | 60.1° |
| C03 | N04 | C06 | H1 | 12.2° | 180.0° |
| C03 | N04 | O05 | H12 | 1.2° | 180.0° |
| O05 | N04 | C06 | C07 | 71.2° | 120.0° |
| O05 | N04 | C06 | C11 | 57.6° | 120.0° |
| O05 | N04 | C06 | H1 | 175.5° | 0.0° |
| N04 | C06 | C07 | C11 | 126.7° | 120.0° |
| N04 | C06 | C07 | H1 | 113.9° | 120.0° |
| N04 | C06 | C11 | H1 | 118.2° | 120.0° |
| N04 | C06 | C07 | C08 | 170.3° | 180.0° |
| N04 | C06 | C11 | C10 | 168.0° | 179.9° |
| N04 | C06 | C07 | H2 | 69.3° | 60.0° |
| N04 | C06 | C07 | H3 | 49.9° | 60.0° |
| N04 | C06 | C11 | H10 | 47.7° | 60.1° |
| N04 | C06 | C11 | H11 | 71.6° | 60.0° |
| C06 | N04 | O05 | H12 | 174.1° | 0.0° |
| C07 | C06 | C11 | H1 | 119.2° | 120.0° |
| C06 | C07 | C08 | H2 | 120.4° | 120.0° |
| C06 | C07 | C08 | H3 | 120.4° | 120.1° |
| C07 | C06 | C11 | C10 | 45.4° | 60.0° |
| C06 | C07 | C08 | C09 | 47.9° | 60.0° |
| C06 | C07 | H2 | H3 | 118.7° | 120.0° |
| C06 | C07 | C08 | H4 | 72.3° | 59.9° |
| C06 | C07 | C08 | H5 | 168.2° | 180.0° |
| C07 | C06 | C11 | H10 | 75.0° | 60.0° |
| C07 | C06 | C11 | H11 | 165.7° | 180.0° |
| C11 | C06 | C07 | C08 | 43.6° | 60.0° |
| C06 | C11 | C10 | H10 | 120.4° | 120.0° |
| C06 | C11 | C10 | H11 | 120.4° | 120.0° |
| C06 | C11 | C10 | C09 | 50.5° | 60.0° |
| C11 | C06 | C07 | H2 | 164.0° | 180.0° |
| C11 | C06 | C07 | H3 | 76.8° | 60.0° |
| C06 | C11 | C10 | H8 | 170.5° | 60.0° |
| C06 | C11 | C10 | H9 | 69.6° | 180.0° |
| C06 | C11 | H10 | H11 | 118.9° | 120.1° |
| C07 | C08 | C09 | H4 | 120.3° | 119.9° |
| C07 | C08 | C09 | H5 | 120.3° | 120.0° |
| C07 | C08 | C09 | C10 | 57.7° | 60.0° |
| C08 | C07 | C06 | H1 | 75.8° | 59.9° |
| C08 | C07 | H2 | H3 | 118.8° | 120.0° |
| C07 | C08 | H4 | H5 | 119.2° | 120.0° |
| C07 | C08 | C09 | H6 | 178.4° | 180.0° |
| C07 | C08 | C09 | H7 | 62.9° | 60.0° |
| C11 | C10 | C09 | C08 | 59.0° | 60.0° |
| C11 | C10 | C09 | H8 | 120.0° | 120.0° |
| C11 | C10 | C09 | H9 | 120.1° | 120.0° |
| C10 | C11 | C06 | H1 | 73.8° | 60.0° |
| C11 | C10 | C09 | H6 | 179.7° | 180.0° |
| C11 | C10 | C09 | H7 | 61.7° | 60.0° |
| C11 | C10 | H8 | H9 | 119.8° | 120.0° |
| C10 | C11 | H10 | H11 | 118.9° | 119.9° |
| C08 | C09 | C10 | H6 | 120.7° | 120.0° |
| C08 | C09 | C10 | H7 | 120.7° | 120.0° |
| C09 | C08 | C07 | H2 | 168.3° | 180.0° |
| C09 | C08 | C07 | H3 | 72.5° | 60.0° |
| C09 | C08 | H4 | H5 | 119.2° | 120.0° |
| C08 | C09 | H6 | H7 | 118.0° | 120.0° |
| C08 | C09 | C10 | H8 | 179.0° | 60.0° |
| C08 | C09 | C10 | H9 | 61.1° | 180.0° |
| C10 | C09 | C08 | H4 | 62.5° | 60.0° |
| C10 | C09 | C08 | H5 | 178.0° | 180.0° |
| C10 | C09 | H6 | H7 | 117.9° | 120.0° |
| C09 | C10 | H8 | H9 | 119.8° | 120.0° |
| C09 | C10 | C11 | H10 | 69.9° | 60.0° |
| C09 | C10 | C11 | H11 | 170.8° | 180.0° |
| H1 | C06 | C07 | H2 | 44.6° | 60.0° |
| H1 | C06 | C07 | H3 | 163.8° | 180.0° |
| H1 | C06 | C11 | H10 | 165.8° | 180.0° |
| H1 | C06 | C11 | H11 | 46.5° | 60.0° |
| H2 | C07 | C08 | H4 | 48.1° | 60.0° |
| H2 | C07 | C08 | H5 | 71.4° | 60.0° |
| H3 | C07 | C08 | H4 | 167.3° | 180.0° |
| H3 | C07 | C08 | H5 | 47.8° | 59.9° |
| H4 | C08 | C09 | H6 | 58.1° | 60.1° |
| H4 | C08 | C09 | H7 | 176.8° | 179.9° |
| H5 | C08 | C09 | H6 | 61.3° | 60.0° |
| H5 | C08 | C09 | H7 | 57.3° | 60.0° |
| H6 | C09 | C10 | H8 | 60.3° | 60.0° |
| H6 | C09 | C10 | H9 | 59.6° | 60.1° |
| H7 | C09 | C10 | H8 | 58.3° | 180.0° |
| H7 | C09 | C10 | H9 | 178.2° | 60.0° |
| H8 | C10 | C11 | H10 | 50.2° | 180.0° |
| H8 | C10 | C11 | H11 | 69.1° | 60.0° |
| H9 | C10 | C11 | H10 | 170.1° | 59.9° |
| H9 | C10 | C11 | H11 | 50.8° | 60.0° |
