EMR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| O1 | C6 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.45Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | N4 | sing | 1.47Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| N4 | C5 | sing | 1.47Å | 1.46Å | |
| N4 | C1' | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.46Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | H1'1 | sing | 1.09Å | 1.12Å | |
| C1' | H1'2 | sing | 1.09Å | 1.11Å | |
| C2' | N2' | sing | 1.47Å | 1.46Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| N2' | HN21 | sing | 1.01Å | 1.02Å | |
| N2' | HN22 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C6 | 108.5° | 107.2° |
| O1 | C2 | C3 | 109.0° | 109.7° |
| O1 | C2 | H21 | 112.4° | 109.5° |
| O1 | C2 | H22 | 112.4° | 109.4° |
| O1 | C6 | C5 | 110.6° | 109.8° |
| O1 | C6 | H61 | 111.8° | 109.5° |
| O1 | C6 | H62 | 111.8° | 109.4° |
| C3 | C2 | H21 | 112.4° | 109.5° |
| C3 | C2 | H22 | 112.4° | 109.4° |
| C2 | C3 | N4 | 111.7° | 109.6° |
| C2 | C3 | H31 | 111.4° | 109.4° |
| C2 | C3 | H32 | 111.4° | 109.5° |
| H21 | C2 | H22 | 98.1° | 109.4° |
| N4 | C3 | H31 | 111.4° | 109.4° |
| N4 | C3 | H32 | 111.4° | 109.5° |
| C3 | N4 | C5 | 105.0° | 106.7° |
| C3 | N4 | C1' | 108.3° | 106.7° |
| H31 | C3 | H32 | 99.0° | 109.4° |
| C5 | N4 | C1' | 107.8° | 106.7° |
| N4 | C5 | C6 | 111.7° | 109.6° |
| N4 | C5 | H51 | 111.4° | 109.5° |
| N4 | C5 | H52 | 111.4° | 109.4° |
| N4 | C1' | C2' | 110.7° | 109.6° |
| N4 | C1' | H1'1 | 111.8° | 109.5° |
| N4 | C1' | H1'2 | 111.8° | 109.5° |
| C6 | C5 | H51 | 111.4° | 109.5° |
| C6 | C5 | H52 | 111.4° | 109.4° |
| C5 | C6 | H61 | 111.8° | 109.5° |
| C5 | C6 | H62 | 111.8° | 109.4° |
| H51 | C5 | H52 | 99.0° | 109.4° |
| H61 | C6 | H62 | 98.6° | 109.3° |
| C2' | C1' | H1'1 | 111.7° | 109.4° |
| C2' | C1' | H1'2 | 111.8° | 109.5° |
| C1' | C2' | N2' | 109.5° | 109.6° |
| C1' | C2' | H2'1 | 112.2° | 109.4° |
| C1' | C2' | H2'2 | 112.2° | 109.4° |
| H1'1 | C1' | H1'2 | 98.6° | 109.4° |
| N2' | C2' | H2'1 | 112.2° | 109.5° |
| N2' | C2' | H2'2 | 112.2° | 109.5° |
| C2' | N2' | HN21 | 109.5° | 106.8° |
| C2' | N2' | HN22 | 112.2° | 106.8° |
| H2'1 | C2' | H2'2 | 98.3° | 109.4° |
| HN21 | N2' | HN22 | 112.2° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H21 | 125.3° | 120.2° |
| O1 | C2 | C3 | H22 | 125.2° | 120.0° |
| O1 | C2 | H21 | H22 | 118.3° | 119.8° |
| O1 | C2 | C3 | N4 | 63.6° | 62.8° |
| O1 | C2 | C3 | H31 | 171.1° | 57.2° |
| O1 | C2 | C3 | H32 | 61.6° | 177.1° |
| C2 | O1 | C6 | C5 | 58.9° | 63.0° |
| C2 | O1 | C6 | H61 | 175.9° | 176.7° |
| C2 | O1 | C6 | H62 | 66.4° | 57.0° |
| C6 | O1 | C2 | C3 | 60.2° | 63.0° |
| C6 | O1 | C2 | H21 | 65.0° | 176.8° |
| C6 | O1 | C2 | H22 | 174.6° | 57.0° |
| O1 | C6 | C5 | N4 | 59.9° | 62.8° |
| O1 | C6 | C5 | H61 | 125.2° | 120.3° |
| O1 | C6 | C5 | H62 | 125.3° | 120.0° |
| O1 | C6 | C5 | H51 | 174.8° | 177.1° |
| O1 | C6 | C5 | H52 | 65.4° | 57.2° |
| O1 | C6 | H61 | H62 | 117.8° | 119.8° |
| C3 | C2 | H21 | H22 | 118.3° | 119.8° |
| C2 | C3 | N4 | H31 | 125.3° | 120.0° |
| C2 | C3 | N4 | H32 | 125.3° | 120.1° |
| C2 | C3 | H31 | H32 | 117.3° | 120.0° |
| C2 | C3 | N4 | C5 | 60.4° | 59.2° |
| C2 | C3 | N4 | C1' | 175.3° | 173.0° |
| H21 | C2 | C3 | N4 | 61.6° | 177.0° |
| H21 | C2 | C3 | H31 | 63.6° | 63.0° |
| H21 | C2 | C3 | H32 | 173.1° | 56.9° |
| H22 | C2 | C3 | N4 | 171.2° | 57.2° |
| H22 | C2 | C3 | H31 | 45.9° | 177.2° |
| H22 | C2 | C3 | H32 | 63.6° | 62.9° |
| N4 | C3 | H31 | H32 | 117.2° | 119.9° |
| C3 | N4 | C5 | C1' | 115.3° | 113.8° |
| C3 | N4 | C5 | C6 | 58.0° | 59.2° |
| C3 | N4 | C5 | H51 | 176.7° | 179.3° |
| C3 | N4 | C5 | H52 | 67.3° | 60.8° |
| C3 | N4 | C1' | C2' | 86.2° | 180.0° |
| C3 | N4 | C1' | H1'1 | 39.1° | 60.0° |
| C3 | N4 | C1' | H1'2 | 148.5° | 59.9° |
| H31 | C3 | N4 | C5 | 174.3° | 60.8° |
| H31 | C3 | N4 | C1' | 59.4° | 53.0° |
| H32 | C3 | N4 | C5 | 64.9° | 179.4° |
| H32 | C3 | N4 | C1' | 50.0° | 66.8° |
| N4 | C5 | C6 | H51 | 125.3° | 120.1° |
| N4 | C5 | C6 | H52 | 125.3° | 120.0° |
| N4 | C5 | H51 | H52 | 117.3° | 119.9° |
| N4 | C5 | C6 | H61 | 174.9° | 177.0° |
| N4 | C5 | C6 | H62 | 65.4° | 57.2° |
| C5 | N4 | C1' | C2' | 160.7° | 66.2° |
| C5 | N4 | C1' | H1'1 | 74.1° | 53.8° |
| C5 | N4 | C1' | H1'2 | 35.4° | 173.7° |
| C1' | N4 | C5 | C6 | 173.3° | 173.0° |
| C1' | N4 | C5 | H51 | 61.4° | 66.9° |
| C1' | N4 | C5 | H52 | 48.0° | 53.0° |
| N4 | C1' | C2' | H1'1 | 125.3° | 120.0° |
| N4 | C1' | C2' | H1'2 | 125.3° | 120.1° |
| N4 | C1' | H1'1 | H1'2 | 117.7° | 120.0° |
| N4 | C1' | C2' | N2' | 148.5° | 180.0° |
| N4 | C1' | C2' | H2'1 | 23.3° | 60.0° |
| N4 | C1' | C2' | H2'2 | 86.3° | 60.0° |
| C6 | C5 | H51 | H52 | 117.2° | 119.9° |
| C5 | C6 | H61 | H62 | 117.7° | 119.8° |
| H51 | C5 | C6 | H61 | 49.6° | 56.8° |
| H51 | C5 | C6 | H62 | 59.9° | 62.9° |
| H52 | C5 | C6 | H61 | 59.8° | 63.1° |
| H52 | C5 | C6 | H62 | 169.3° | 177.2° |
| C2' | C1' | H1'1 | H1'2 | 117.6° | 119.9° |
| C1' | C2' | N2' | H2'1 | 125.3° | 120.0° |
| C1' | C2' | N2' | H2'2 | 125.2° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 118.2° | 119.9° |
| C1' | C2' | N2' | HN21 | 180.0° | 179.9° |
| C1' | C2' | N2' | HN22 | 54.7° | 66.2° |
| H1'1 | C1' | C2' | N2' | 86.2° | 60.0° |
| H1'1 | C1' | C2' | H2'1 | 148.5° | 180.0° |
| H1'1 | C1' | C2' | H2'2 | 39.0° | 60.1° |
| H1'2 | C1' | C2' | N2' | 23.2° | 59.9° |
| H1'2 | C1' | C2' | H2'1 | 102.1° | 60.1° |
| H1'2 | C1' | C2' | H2'2 | 148.4° | 180.0° |
| N2' | C2' | H2'1 | H2'2 | 118.1° | 120.0° |
| C2' | N2' | HN21 | HN22 | 125.3° | 113.9° |
| H2'1 | C2' | N2' | HN21 | 54.7° | 60.1° |
| H2'1 | C2' | N2' | HN22 | 70.6° | 53.8° |
| H2'2 | C2' | N2' | HN21 | 54.8° | 59.9° |
| H2'2 | C2' | N2' | HN22 | 179.9° | 173.8° |
