EN4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | sing | 1.55Å | 1.66Å | |
| C09 | C10 | sing | 1.55Å | 1.38Å | |
| C08 | C07 | sing | 1.54Å | 1.36Å | |
| C10 | C06 | sing | 1.54Å | 1.59Å | |
| C07 | C06 | sing | 1.54Å | 1.60Å | |
| C06 | N04 | sing | 1.46Å | 1.45Å | |
| N04 | O05 | sing | 1.42Å | 1.40Å | |
| N04 | C03 | sing | 1.35Å | 1.44Å | |
| O12 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | C03 | sing | 1.49Å | 1.52Å | |
| C02 | O01 | sing | 1.35Å | 1.25Å | |
| C03 | O11 | doub | 1.21Å | 1.19Å | |
| 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 | |
| O01 | H10 | sing | 0.97Å | 0.95Å | |
| O05 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C09 | C10 | 107.8° | 102.8° |
| C09 | C08 | C07 | 108.0° | 104.2° |
| C09 | C08 | H4 | 109.8° | 110.5° |
| C09 | C08 | H5 | 109.8° | 110.6° |
| C08 | C09 | H6 | 109.9° | 110.8° |
| C08 | C09 | H7 | 109.9° | 110.8° |
| C09 | C10 | C06 | 105.6° | 104.2° |
| C10 | C09 | H6 | 109.9° | 110.7° |
| C10 | C09 | H7 | 109.9° | 110.7° |
| C09 | C10 | H8 | 110.4° | 110.5° |
| C09 | C10 | H9 | 110.4° | 110.5° |
| C08 | C07 | C06 | 107.7° | 106.6° |
| C08 | C07 | H2 | 109.9° | 110.0° |
| C08 | C07 | H3 | 109.9° | 110.0° |
| C07 | C08 | H4 | 109.8° | 110.5° |
| C07 | C08 | H5 | 109.8° | 110.5° |
| C10 | C06 | C07 | 105.6° | 106.6° |
| C10 | C06 | N04 | 110.0° | 110.1° |
| C10 | C06 | H1 | 110.5° | 110.0° |
| C06 | C10 | H8 | 110.4° | 110.4° |
| C06 | C10 | H9 | 110.4° | 110.5° |
| C07 | C06 | N04 | 107.5° | 110.1° |
| C07 | C06 | H1 | 110.4° | 110.0° |
| C06 | C07 | H2 | 109.9° | 110.1° |
| C06 | C07 | H3 | 109.9° | 110.0° |
| C06 | N04 | O05 | 120.0° | 120.0° |
| C06 | N04 | C03 | 122.6° | 120.0° |
| N04 | C06 | H1 | 112.6° | 110.0° |
| O05 | N04 | C03 | 117.3° | 120.0° |
| N04 | O05 | H11 | 109.5° | 114.0° |
| N04 | C03 | C02 | 122.6° | 120.0° |
| N04 | C03 | O11 | 119.0° | 120.0° |
| O12 | C02 | C03 | 121.2° | 120.0° |
| O12 | C02 | O01 | 120.6° | 120.0° |
| C03 | C02 | O01 | 118.1° | 120.0° |
| C02 | C03 | O11 | 118.4° | 120.0° |
| C02 | O01 | H10 | 109.5° | 117.0° |
| H2 | C07 | H3 | 109.5° | 110.0° |
| H4 | C08 | H5 | 109.5° | 110.4° |
| H6 | C09 | H7 | 109.5° | 110.8° |
| H8 | C10 | H9 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C09 | C10 | H6 | 119.7° | 118.4° |
| C08 | C09 | C10 | H7 | 119.7° | 118.4° |
| C09 | C08 | C07 | H4 | 119.8° | 118.7° |
| C09 | C08 | C07 | H5 | 119.8° | 118.8° |
| C08 | C09 | C10 | C06 | 23.1° | 37.9° |
| C09 | C08 | C07 | C06 | 4.2° | 23.7° |
| C09 | C08 | C07 | H2 | 123.9° | 95.7° |
| C09 | C08 | C07 | H3 | 115.6° | 142.9° |
| C09 | C08 | H4 | H5 | 120.7° | 122.7° |
| C08 | C09 | H6 | H7 | 120.7° | 123.4° |
| C08 | C09 | C10 | H8 | 142.4° | 80.7° |
| C08 | C09 | C10 | H9 | 96.3° | 156.6° |
| C10 | C09 | C08 | C07 | 18.4° | 37.9° |
| C09 | C10 | C06 | H8 | 119.4° | 118.6° |
| C09 | C10 | C06 | H9 | 119.4° | 118.7° |
| C09 | C10 | C06 | C07 | 20.8° | 23.5° |
| C09 | C10 | C06 | N04 | 136.5° | 142.9° |
| C09 | C10 | C06 | H1 | 98.6° | 95.7° |
| C10 | C09 | C08 | H4 | 101.3° | 156.6° |
| C10 | C09 | C08 | H5 | 138.2° | 80.8° |
| C10 | C09 | H6 | H7 | 120.8° | 123.2° |
| C09 | C10 | H8 | H9 | 121.8° | 122.7° |
| C08 | C07 | C06 | C10 | 9.1° | 0.1° |
| C08 | C07 | C06 | H2 | 119.7° | 119.3° |
| C08 | C07 | C06 | H3 | 119.7° | 119.3° |
| C08 | C07 | C06 | N04 | 126.5° | 119.3° |
| C08 | C07 | C06 | H1 | 110.4° | 119.3° |
| C08 | C07 | H2 | H3 | 120.8° | 121.4° |
| C07 | C08 | H4 | H5 | 120.7° | 122.5° |
| C07 | C08 | C09 | H6 | 101.3° | 80.4° |
| C07 | C08 | C09 | H7 | 138.1° | 156.3° |
| C10 | C06 | C07 | N04 | 117.4° | 119.4° |
| C10 | C06 | C07 | H1 | 119.5° | 119.3° |
| C10 | C06 | N04 | H1 | 123.7° | 121.4° |
| C10 | C06 | N04 | O05 | 53.6° | 122.0° |
| C10 | C06 | N04 | C03 | 128.7° | 57.9° |
| C10 | C06 | C07 | H2 | 110.6° | 119.2° |
| C10 | C06 | C07 | H3 | 128.8° | 119.4° |
| C06 | C10 | C09 | H6 | 96.7° | 80.5° |
| C06 | C10 | C09 | H7 | 142.8° | 156.2° |
| C06 | C10 | H8 | H9 | 121.8° | 122.7° |
| C07 | C06 | N04 | H1 | 121.8° | 121.3° |
| C07 | C06 | N04 | O05 | 60.9° | 120.7° |
| C07 | C06 | N04 | C03 | 116.8° | 59.4° |
| C06 | C07 | H2 | H3 | 120.9° | 121.4° |
| C06 | C07 | C08 | H4 | 115.6° | 142.3° |
| C06 | C07 | C08 | H5 | 123.9° | 95.2° |
| C07 | C06 | C10 | H8 | 140.2° | 95.1° |
| C07 | C06 | C10 | H9 | 98.6° | 142.2° |
| C06 | N04 | O05 | C03 | 177.8° | 180.0° |
| C06 | N04 | C03 | C02 | 2.5° | 174.3° |
| C06 | N04 | C03 | O11 | 178.4° | 5.6° |
| N04 | C06 | C07 | H2 | 6.8° | 121.4° |
| N04 | C06 | C07 | H3 | 113.8° | 0.0° |
| N04 | C06 | C10 | H8 | 104.1° | 24.2° |
| N04 | C06 | C10 | H9 | 17.1° | 98.5° |
| C06 | N04 | O05 | H11 | 178.1° | 172.3° |
| O05 | N04 | C03 | C02 | 179.7° | 5.6° |
| O05 | N04 | C03 | O11 | 0.6° | 174.4° |
| O05 | N04 | C06 | H1 | 177.3° | 0.6° |
| N04 | C03 | C02 | O12 | 29.7° | 5.8° |
| N04 | C03 | C02 | O11 | 179.1° | 180.0° |
| N04 | C03 | C02 | O01 | 152.8° | 173.9° |
| C03 | N04 | C06 | H1 | 5.0° | 179.3° |
| C03 | N04 | O05 | H11 | 0.3° | 7.8° |
| O12 | C02 | C03 | O01 | 177.5° | 179.7° |
| O12 | C02 | C03 | O11 | 149.4° | 174.2° |
| O12 | C02 | O01 | H10 | 0.0° | 0.2° |
| C03 | C02 | O01 | H10 | 177.5° | 179.9° |
| O01 | C02 | C03 | O11 | 28.1° | 6.1° |
| H1 | C06 | C07 | H2 | 129.9° | 0.0° |
| H1 | C06 | C07 | H3 | 9.3° | 121.4° |
| H1 | C06 | C10 | H8 | 20.8° | 145.6° |
| H1 | C06 | C10 | H9 | 142.0° | 23.0° |
| H2 | C07 | C08 | H4 | 4.1° | 23.0° |
| H2 | C07 | C08 | H5 | 116.3° | 145.4° |
| H3 | C07 | C08 | H4 | 124.7° | 98.4° |
| H3 | C07 | C08 | H5 | 4.2° | 24.1° |
| H4 | C08 | C09 | H6 | 138.9° | 38.3° |
| H4 | C08 | C09 | H7 | 18.4° | 85.1° |
| H5 | C08 | C09 | H6 | 18.4° | 160.9° |
| H5 | C08 | C09 | H7 | 102.1° | 37.5° |
| H6 | C09 | C10 | H8 | 22.7° | 160.9° |
| H6 | C09 | C10 | H9 | 144.0° | 38.2° |
| H7 | C09 | C10 | H8 | 97.9° | 37.7° |
| H7 | C09 | C10 | H9 | 23.4° | 85.0° |
