EMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.42Å | 11.30Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.10Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.10Å | 1.11Å | |
| C2 | H22 | sing | 1.10Å | 1.11Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.10Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | N4 | sing | 1.47Å | 1.48Å | |
| C4 | H4 | sing | 1.10Å | 1.12Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | H51 | sing | 1.10Å | 1.11Å | |
| C5 | H52 | sing | 1.10Å | 1.12Å | |
| C6 | C7 | sing | 1.49Å | 1.54Å | |
| C6 | N4 | sing | 1.45Å | 1.48Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.10Å | 1.12Å | |
| C7 | H73 | sing | 1.10Å | 1.12Å | |
| C8 | O3 | sing | 1.42Å | 1.41Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| N4 | HN4 | sing | 1.02Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 88.4° | 107.9° |
| C2 | C1 | O5 | 110.0° | 110.1° |
| C2 | C1 | H1 | 131.9° | 111.6° |
| C1 | C2 | C3 | 110.3° | 111.3° |
| C1 | C2 | H2 | 111.9° | 109.2° |
| C1 | C2 | H22 | 111.9° | 109.3° |
| O1 | C1 | O5 | 131.3° | 110.4° |
| O1 | C1 | H1 | 111.0° | 107.4° |
| C1 | O1 | HO1 | 88.4° | 106.6° |
| O5 | C1 | H1 | 89.9° | 109.5° |
| C1 | O5 | C5 | 117.7° | 112.5° |
| C3 | C2 | H2 | 111.9° | 109.4° |
| C3 | C2 | H22 | 111.9° | 110.8° |
| C2 | C3 | C4 | 112.4° | 111.9° |
| C2 | C3 | O3 | 110.3° | 108.0° |
| C2 | C3 | H3 | 106.2° | 110.0° |
| H2 | C2 | H22 | 98.5° | 106.8° |
| C4 | C3 | O3 | 107.5° | 109.2° |
| C4 | C3 | H3 | 109.1° | 111.0° |
| C3 | C4 | C5 | 107.8° | 110.7° |
| C3 | C4 | N4 | 109.3° | 110.2° |
| C3 | C4 | H4 | 114.0° | 109.7° |
| O3 | C3 | H3 | 111.3° | 106.5° |
| C3 | O3 | C8 | 116.4° | 111.4° |
| C5 | C4 | N4 | 117.7° | 110.0° |
| C5 | C4 | H4 | 104.9° | 108.3° |
| C4 | C5 | O5 | 109.1° | 111.6° |
| C4 | C5 | H51 | 112.4° | 110.9° |
| C4 | C5 | H52 | 112.3° | 110.7° |
| N4 | C4 | H4 | 103.2° | 108.0° |
| C4 | N4 | C6 | 120.0° | 110.7° |
| C4 | N4 | HN4 | 108.4° | 109.0° |
| O5 | C5 | H51 | 112.4° | 109.0° |
| O5 | C5 | H52 | 112.3° | 107.8° |
| H51 | C5 | H52 | 98.1° | 106.8° |
| C7 | C6 | N4 | 114.2° | 111.1° |
| C7 | C6 | H61 | 110.5° | 110.5° |
| C7 | C6 | H62 | 110.5° | 110.7° |
| C6 | C7 | H71 | 114.2° | 110.9° |
| C6 | C7 | H72 | 110.4° | 110.8° |
| C6 | C7 | H73 | 110.5° | 109.8° |
| N4 | C6 | H61 | 110.4° | 107.8° |
| N4 | C6 | H62 | 110.5° | 107.7° |
| C6 | N4 | HN4 | 108.5° | 109.5° |
| H61 | C6 | H62 | 99.8° | 108.8° |
| H71 | C7 | H72 | 110.5° | 109.2° |
| H71 | C7 | H73 | 110.5° | 108.0° |
| H72 | C7 | H73 | 99.8° | 108.0° |
| O3 | C8 | H81 | 116.4° | 109.6° |
| O3 | C8 | H82 | 109.7° | 109.5° |
| O3 | C8 | H83 | 109.7° | 109.0° |
| H81 | C8 | H82 | 109.7° | 110.1° |
| H81 | C8 | H83 | 109.7° | 109.3° |
| H82 | C8 | H83 | 100.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 115.6° | 120.3° |
| C2 | C1 | O1 | H1 | 134.9° | 120.4° |
| C2 | C1 | O5 | H1 | 135.3° | 123.0° |
| C1 | C2 | C3 | H2 | 125.2° | 120.8° |
| C1 | C2 | C3 | H22 | 125.2° | 121.8° |
| C1 | C2 | H2 | H22 | 117.8° | 118.0° |
| C1 | C2 | C3 | C4 | 51.8° | 48.7° |
| C1 | C2 | C3 | O3 | 171.7° | 71.5° |
| C1 | C2 | C3 | H3 | 67.6° | 172.6° |
| C2 | C1 | O5 | C5 | 57.9° | 62.6° |
| C2 | C1 | O1 | HO1 | 180.0° | 35.5° |
| O1 | C1 | O5 | H1 | 118.4° | 118.0° |
| O1 | C1 | C2 | C3 | 84.2° | 175.9° |
| O1 | C1 | C2 | H2 | 150.5° | 55.0° |
| O1 | C1 | C2 | H22 | 41.1° | 61.5° |
| O1 | C1 | O5 | C5 | 48.4° | 178.4° |
| O5 | C1 | C2 | C3 | 49.7° | 55.4° |
| O5 | C1 | C2 | H2 | 75.6° | 65.5° |
| O5 | C1 | C2 | H22 | 174.9° | 178.0° |
| C1 | O5 | C5 | C4 | 61.9° | 61.9° |
| C1 | O5 | C5 | H51 | 172.8° | 60.8° |
| C1 | O5 | C5 | H52 | 63.3° | 176.4° |
| O5 | C1 | O1 | HO1 | 64.4° | 84.9° |
| H1 | C1 | C2 | C3 | 158.6° | 66.4° |
| H1 | C1 | C2 | H2 | 33.4° | 172.7° |
| H1 | C1 | C2 | H22 | 76.1° | 56.3° |
| H1 | C1 | O5 | C5 | 166.8° | 60.4° |
| H1 | C1 | O1 | HO1 | 45.1° | 155.9° |
| C3 | C2 | H2 | H22 | 117.9° | 119.9° |
| C2 | C3 | C4 | O3 | 121.6° | 119.6° |
| C2 | C3 | C4 | H3 | 117.6° | 123.3° |
| C2 | C3 | O3 | H3 | 117.6° | 118.2° |
| C2 | C3 | C4 | C5 | 54.7° | 47.0° |
| C2 | C3 | C4 | N4 | 176.2° | 74.9° |
| C2 | C3 | C4 | H4 | 61.3° | 166.4° |
| C2 | C3 | O3 | C8 | 94.3° | 180.0° |
| H2 | C2 | C3 | C4 | 73.5° | 72.1° |
| H2 | C2 | C3 | O3 | 46.5° | 167.7° |
| H2 | C2 | C3 | H3 | 167.2° | 51.8° |
| H22 | C2 | C3 | C4 | 177.0° | 170.5° |
| H22 | C2 | C3 | O3 | 63.1° | 50.3° |
| H22 | C2 | C3 | H3 | 57.6° | 65.7° |
| C4 | C3 | O3 | H3 | 119.5° | 119.9° |
| C3 | C4 | C5 | N4 | 124.1° | 122.0° |
| C3 | C4 | C5 | H4 | 121.9° | 120.3° |
| C3 | C4 | N4 | H4 | 121.7° | 119.8° |
| C3 | C4 | C5 | O5 | 56.5° | 52.8° |
| C3 | C4 | C5 | H51 | 178.2° | 68.9° |
| C3 | C4 | C5 | H52 | 68.7° | 172.7° |
| C3 | C4 | N4 | C6 | 176.1° | 178.2° |
| C4 | C3 | O3 | C8 | 142.8° | 58.0° |
| C3 | C4 | N4 | HN4 | 50.8° | 57.7° |
| O3 | C3 | C4 | C5 | 176.3° | 72.6° |
| O3 | C3 | C4 | N4 | 54.7° | 165.6° |
| O3 | C3 | C4 | H4 | 60.3° | 46.8° |
| C3 | O3 | C8 | H81 | 180.0° | 166.6° |
| C3 | O3 | C8 | H82 | 54.7° | 72.6° |
| C3 | O3 | C8 | H83 | 54.7° | 46.9° |
| H3 | C3 | C4 | C5 | 62.9° | 170.3° |
| H3 | C3 | C4 | N4 | 66.1° | 48.5° |
| H3 | C3 | C4 | H4 | 178.9° | 70.3° |
| H3 | C3 | O3 | C8 | 23.4° | 61.8° |
| C5 | C4 | N4 | H4 | 114.9° | 118.0° |
| C4 | C5 | O5 | H51 | 125.3° | 122.8° |
| C4 | C5 | O5 | H52 | 125.2° | 121.7° |
| C4 | C5 | H51 | H52 | 118.3° | 120.7° |
| C5 | C4 | N4 | C6 | 52.8° | 59.6° |
| C5 | C4 | N4 | HN4 | 72.5° | 180.0° |
| N4 | C4 | C5 | O5 | 179.4° | 69.2° |
| N4 | C4 | C5 | H51 | 54.1° | 169.1° |
| N4 | C4 | C5 | H52 | 55.4° | 50.8° |
| C4 | N4 | C6 | C7 | 81.4° | 178.8° |
| C4 | N4 | C6 | HN4 | 125.3° | 120.2° |
| C4 | N4 | C6 | H61 | 153.4° | 60.0° |
| C4 | N4 | C6 | H62 | 43.9° | 57.2° |
| H4 | C4 | C5 | O5 | 65.4° | 173.0° |
| H4 | C4 | C5 | H51 | 59.9° | 51.4° |
| H4 | C4 | C5 | H52 | 169.4° | 67.0° |
| H4 | C4 | N4 | C6 | 62.2° | 58.4° |
| H4 | C4 | N4 | HN4 | 172.5° | 62.0° |
| O5 | C5 | H51 | H52 | 118.3° | 116.2° |
| C7 | C6 | N4 | H61 | 125.2° | 121.3° |
| C7 | C6 | N4 | H62 | 125.3° | 121.5° |
| C7 | C6 | H61 | H62 | 116.4° | 121.8° |
| C6 | C7 | H71 | H72 | 125.2° | 122.4° |
| C6 | C7 | H71 | H73 | 125.3° | 120.3° |
| C6 | C7 | H72 | H73 | 116.3° | 120.3° |
| C7 | C6 | N4 | HN4 | 43.9° | 58.6° |
| N4 | C6 | H61 | H62 | 116.3° | 116.6° |
| N4 | C6 | C7 | H71 | 180.0° | 61.3° |
| N4 | C6 | C7 | H72 | 54.7° | 60.2° |
| N4 | C6 | C7 | H73 | 54.7° | 179.4° |
| H61 | C6 | C7 | H71 | 54.8° | 179.0° |
| H61 | C6 | C7 | H72 | 70.5° | 59.5° |
| H61 | C6 | C7 | H73 | 179.9° | 59.8° |
| H61 | C6 | N4 | HN4 | 81.4° | 179.9° |
| H62 | C6 | C7 | H71 | 54.7° | 58.4° |
| H62 | C6 | C7 | H72 | 180.0° | 179.9° |
| H62 | C6 | C7 | H73 | 70.6° | 60.8° |
| H62 | C6 | N4 | HN4 | 169.1° | 62.9° |
| H71 | C7 | H72 | H73 | 116.4° | 117.2° |
| O3 | C8 | H81 | H82 | 125.3° | 120.5° |
| O3 | C8 | H81 | H83 | 125.3° | 119.4° |
| O3 | C8 | H82 | H83 | 115.5° | 119.3° |
| H81 | C8 | H82 | H83 | 115.5° | 120.1° |
