EKD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.20Å | |
| O11 | C03 | doub | 1.21Å | 1.15Å | |
| C02 | C03 | sing | 1.49Å | 1.54Å | |
| C02 | O12 | sing | 1.35Å | 1.19Å | |
| C03 | N04 | sing | 1.35Å | 1.40Å | |
| N04 | C05 | sing | 1.46Å | 1.39Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| C05 | C10 | sing | 1.53Å | 1.50Å | |
| C06 | C07 | sing | 1.53Å | 1.49Å | |
| C10 | C09 | sing | 1.53Å | 1.50Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| N04 | H12 | sing | 0.97Å | 1.00Å | |
| O12 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 121.7° | 120.0° |
| O01 | C02 | O12 | 118.7° | 120.0° |
| O11 | C03 | C02 | 120.0° | 120.0° |
| O11 | C03 | N04 | 115.6° | 120.0° |
| C03 | C02 | O12 | 119.6° | 120.0° |
| C02 | C03 | N04 | 124.3° | 120.0° |
| C02 | O12 | H13 | 109.5° | 117.1° |
| C03 | N04 | C05 | 124.4° | 120.0° |
| C03 | N04 | H12 | 117.8° | 120.0° |
| N04 | C05 | C06 | 95.9° | 109.5° |
| N04 | C05 | C10 | 109.0° | 109.5° |
| N04 | C05 | H1 | 112.8° | 109.5° |
| C05 | N04 | H12 | 117.8° | 120.0° |
| C06 | C05 | C10 | 116.4° | 109.5° |
| C05 | C06 | C07 | 114.9° | 109.4° |
| C06 | C05 | H1 | 110.9° | 109.5° |
| C05 | C06 | H2 | 108.1° | 109.5° |
| C05 | C06 | H3 | 108.1° | 109.5° |
| C05 | C10 | C09 | 112.3° | 109.5° |
| C10 | C05 | H1 | 111.1° | 109.4° |
| C05 | C10 | H10 | 108.8° | 109.4° |
| C05 | C10 | H11 | 108.7° | 109.5° |
| C06 | C07 | C08 | 109.8° | 109.5° |
| C07 | C06 | H2 | 108.1° | 109.5° |
| C07 | C06 | H3 | 108.1° | 109.5° |
| C06 | C07 | H4 | 109.4° | 109.5° |
| C06 | C07 | H5 | 109.4° | 109.4° |
| C10 | C09 | C08 | 110.8° | 109.5° |
| C10 | C09 | H8 | 109.1° | 109.5° |
| C10 | C09 | H9 | 109.1° | 109.4° |
| C09 | C10 | H10 | 108.8° | 109.5° |
| C09 | C10 | H11 | 108.8° | 109.5° |
| C07 | C08 | C09 | 115.1° | 109.5° |
| C08 | C07 | H4 | 109.4° | 109.5° |
| C08 | C07 | H5 | 109.4° | 109.5° |
| C07 | C08 | H6 | 108.0° | 109.5° |
| C07 | C08 | H7 | 108.0° | 109.5° |
| C09 | C08 | H6 | 108.0° | 109.5° |
| C09 | C08 | H7 | 108.0° | 109.5° |
| C08 | C09 | H8 | 109.1° | 109.4° |
| C08 | C09 | H9 | 109.1° | 109.5° |
| H2 | C06 | H3 | 109.4° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.4° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | O11 | 19.2° | 179.7° |
| O01 | C02 | C03 | O12 | 180.0° | 179.7° |
| O01 | C02 | C03 | N04 | 158.6° | 0.3° |
| O01 | C02 | O12 | H13 | 0.0° | 0.3° |
| O11 | C03 | C02 | N04 | 177.9° | 179.9° |
| O11 | C03 | C02 | O12 | 160.8° | 0.0° |
| O11 | C03 | N04 | C05 | 175.7° | 0.0° |
| O11 | C03 | N04 | H12 | 4.3° | 180.0° |
| C02 | C03 | N04 | C05 | 2.2° | 180.0° |
| C02 | C03 | N04 | H12 | 177.8° | 0.0° |
| C03 | C02 | O12 | H13 | 180.0° | 180.0° |
| O12 | C02 | C03 | N04 | 21.4° | 180.0° |
| C03 | N04 | C05 | H12 | 180.0° | 180.0° |
| C03 | N04 | C05 | C06 | 115.2° | 155.0° |
| C03 | N04 | C05 | C10 | 124.2° | 85.0° |
| C03 | N04 | C05 | H1 | 0.4° | 35.0° |
| N04 | C05 | C06 | C10 | 114.6° | 120.0° |
| N04 | C05 | C06 | H1 | 117.1° | 120.0° |
| N04 | C05 | C10 | H1 | 124.8° | 120.0° |
| N04 | C05 | C06 | C07 | 159.5° | 180.0° |
| N04 | C05 | C10 | C09 | 152.1° | 180.0° |
| N04 | C05 | C06 | H2 | 79.6° | 60.0° |
| N04 | C05 | C06 | H3 | 38.7° | 60.1° |
| N04 | C05 | C10 | H10 | 31.7° | 60.0° |
| N04 | C05 | C10 | H11 | 87.5° | 60.0° |
| C06 | C05 | C10 | H1 | 128.2° | 120.0° |
| C05 | C06 | C07 | H2 | 120.8° | 120.0° |
| C05 | C06 | C07 | H3 | 120.8° | 119.9° |
| C06 | C05 | C10 | C09 | 45.2° | 60.0° |
| C05 | C06 | C07 | C08 | 46.7° | 60.0° |
| C05 | C06 | H2 | H3 | 117.5° | 120.0° |
| C05 | C06 | C07 | H4 | 73.3° | 60.1° |
| C05 | C06 | C07 | H5 | 166.8° | 180.0° |
| C06 | C05 | C10 | H10 | 75.2° | 60.0° |
| C06 | C05 | C10 | H11 | 165.6° | 180.0° |
| C06 | C05 | N04 | H12 | 64.8° | 25.0° |
| C10 | C05 | C06 | C07 | 44.9° | 60.0° |
| C05 | C10 | C09 | H10 | 120.4° | 120.0° |
| C05 | C10 | C09 | H11 | 120.4° | 120.0° |
| C05 | C10 | C09 | C08 | 48.8° | 60.0° |
| C10 | C05 | C06 | H2 | 165.7° | 180.0° |
| C10 | C05 | C06 | H3 | 75.9° | 60.0° |
| C05 | C10 | C09 | H8 | 169.0° | 60.0° |
| C05 | C10 | C09 | H9 | 71.4° | 180.0° |
| C05 | C10 | H10 | H11 | 118.7° | 119.9° |
| C10 | C05 | N04 | H12 | 55.8° | 95.0° |
| C06 | C07 | C08 | H4 | 120.1° | 120.0° |
| C06 | C07 | C08 | H5 | 120.0° | 119.9° |
| C06 | C07 | C08 | C09 | 53.5° | 60.0° |
| C07 | C06 | C05 | H1 | 83.3° | 60.0° |
| C07 | C06 | H2 | H3 | 117.5° | 120.0° |
| C06 | C07 | H4 | H5 | 119.8° | 119.9° |
| C06 | C07 | C08 | H6 | 174.4° | 179.9° |
| C06 | C07 | C08 | H7 | 67.3° | 60.0° |
| C10 | C09 | C08 | C07 | 55.5° | 60.0° |
| C10 | C09 | C08 | H8 | 120.2° | 119.9° |
| C10 | C09 | C08 | H9 | 120.2° | 120.0° |
| C09 | C10 | C05 | H1 | 83.0° | 60.0° |
| C10 | C09 | C08 | H6 | 176.4° | 180.0° |
| C10 | C09 | C08 | H7 | 65.3° | 60.0° |
| C10 | C09 | H8 | H9 | 119.4° | 120.0° |
| C09 | C10 | H10 | H11 | 118.8° | 120.1° |
| C07 | C08 | C09 | H6 | 120.9° | 120.0° |
| C07 | C08 | C09 | H7 | 120.8° | 120.0° |
| C08 | C07 | C06 | H2 | 167.6° | 180.0° |
| C08 | C07 | C06 | H3 | 74.1° | 60.0° |
| C08 | C07 | H4 | H5 | 119.9° | 120.1° |
| C07 | C08 | H6 | H7 | 117.4° | 120.0° |
| C07 | C08 | C09 | H8 | 175.7° | 59.9° |
| C07 | C08 | C09 | H9 | 64.7° | 180.0° |
| C09 | C08 | C07 | H4 | 66.5° | 60.0° |
| C09 | C08 | C07 | H5 | 173.6° | 180.0° |
| C09 | C08 | H6 | H7 | 117.4° | 120.0° |
| C08 | C09 | H8 | H9 | 119.4° | 120.1° |
| C08 | C09 | C10 | H10 | 71.6° | 60.0° |
| C08 | C09 | C10 | H11 | 169.2° | 180.0° |
| H1 | C05 | C06 | H2 | 37.5° | 60.0° |
| H1 | C05 | C06 | H3 | 155.8° | 180.0° |
| H1 | C05 | C10 | H10 | 156.6° | 179.9° |
| H1 | C05 | C10 | H11 | 37.4° | 60.0° |
| H1 | C05 | N04 | H12 | 179.6° | 145.0° |
| H2 | C06 | C07 | H4 | 47.5° | 60.0° |
| H2 | C06 | C07 | H5 | 72.4° | 60.0° |
| H3 | C06 | C07 | H4 | 165.9° | 180.0° |
| H3 | C06 | C07 | H5 | 46.0° | 60.0° |
| H4 | C07 | C08 | H6 | 54.3° | 60.1° |
| H4 | C07 | C08 | H7 | 172.7° | 180.0° |
| H5 | C07 | C08 | H6 | 65.6° | 60.0° |
| H5 | C07 | C08 | H7 | 52.8° | 59.9° |
| H6 | C08 | C09 | H8 | 63.4° | 60.1° |
| H6 | C08 | C09 | H9 | 56.2° | 60.0° |
| H7 | C08 | C09 | H8 | 54.9° | 180.0° |
| H7 | C08 | C09 | H9 | 174.5° | 60.0° |
| H8 | C09 | C10 | H10 | 48.6° | 179.9° |
| H8 | C09 | C10 | H11 | 70.6° | 60.0° |
| H9 | C09 | C10 | H10 | 168.2° | 60.0° |
| H9 | C09 | C10 | H11 | 49.0° | 60.0° |
