ERE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.40Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C3A | sing | 1.53Å | 1.52Å | |
| C3 | N3 | sing | 1.47Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C5 | C5A | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3A | H31 | sing | 1.09Å | 1.10Å | |
| C3A | H32 | sing | 1.09Å | 1.10Å | |
| C3A | H33 | sing | 1.09Å | 1.10Å | |
| N3 | HN31 | sing | 1.01Å | 1.00Å | |
| N3 | HN32 | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5A | H51 | sing | 1.09Å | 1.10Å | |
| C5A | H52 | sing | 1.09Å | 1.10Å | |
| C5A | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 113.3° | 109.4° |
| C2 | C1 | O1 | 110.0° | 109.5° |
| C1 | C2 | C3 | 112.7° | 109.1° |
| C2 | C1 | H1 | 105.9° | 109.4° |
| C1 | C2 | H21 | 108.7° | 109.5° |
| C1 | C2 | H22 | 108.7° | 109.5° |
| O5 | C1 | O1 | 113.0° | 109.5° |
| C1 | O5 | C5 | 114.3° | 114.1° |
| O5 | C1 | H1 | 107.1° | 109.5° |
| O1 | C1 | H1 | 107.1° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C3 | C4 | 109.8° | 109.1° |
| C2 | C3 | C3A | 113.3° | 109.5° |
| C2 | C3 | N3 | 108.4° | 109.5° |
| C3 | C2 | H21 | 108.7° | 109.5° |
| C3 | C2 | H22 | 108.7° | 109.6° |
| C4 | C3 | C3A | 111.4° | 109.5° |
| C4 | C3 | N3 | 107.4° | 109.5° |
| C3 | C4 | C5 | 112.3° | 109.2° |
| C3 | C4 | O4 | 110.7° | 109.5° |
| C3 | C4 | H4 | 107.4° | 109.5° |
| C3A | C3 | N3 | 106.2° | 109.6° |
| C3 | C3A | H31 | 109.5° | 109.5° |
| C3 | C3A | H32 | 109.4° | 109.5° |
| C3 | C3A | H33 | 109.5° | 109.5° |
| C3 | N3 | HN31 | 109.5° | 111.0° |
| C3 | N3 | HN32 | 109.5° | 111.0° |
| C5 | C4 | O4 | 110.1° | 109.5° |
| C4 | C5 | O5 | 109.1° | 109.4° |
| C4 | C5 | C5A | 113.6° | 109.5° |
| C5 | C4 | H4 | 107.4° | 109.5° |
| C4 | C5 | H5 | 109.9° | 109.4° |
| O4 | C4 | H4 | 108.8° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | C5A | 103.5° | 109.5° |
| O5 | C5 | H5 | 110.8° | 109.5° |
| C5A | C5 | H5 | 109.8° | 109.5° |
| C5 | C5A | H51 | 109.5° | 109.5° |
| C5 | C5A | H52 | 109.5° | 109.5° |
| C5 | C5A | H53 | 109.5° | 109.4° |
| H21 | C2 | H22 | 109.5° | 109.6° |
| H31 | C3A | H32 | 109.5° | 109.4° |
| H31 | C3A | H33 | 109.5° | 109.5° |
| H32 | C3A | H33 | 109.5° | 109.5° |
| HN31 | N3 | HN32 | 109.5° | 111.0° |
| H51 | C5A | H52 | 109.5° | 109.5° |
| H51 | C5A | H53 | 109.4° | 109.5° |
| H52 | C5A | H53 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | O1 | 125.9° | 120.0° |
| C2 | C1 | O5 | H1 | 116.4° | 119.9° |
| C2 | C1 | O1 | H1 | 114.6° | 120.0° |
| C1 | C2 | C3 | H21 | 120.5° | 119.9° |
| C1 | C2 | C3 | H22 | 120.5° | 119.9° |
| C1 | C2 | C3 | C4 | 48.9° | 57.0° |
| C1 | C2 | C3 | C3A | 76.4° | 62.9° |
| C1 | C2 | C3 | N3 | 166.0° | 176.8° |
| C2 | C1 | O5 | C5 | 55.0° | 61.2° |
| C1 | C2 | H21 | H22 | 118.5° | 120.1° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| O5 | C1 | O1 | H1 | 117.7° | 120.1° |
| O5 | C1 | C2 | C3 | 50.6° | 57.6° |
| C1 | O5 | C5 | C4 | 57.0° | 61.2° |
| C1 | O5 | C5 | C5A | 178.2° | 178.8° |
| O5 | C1 | C2 | H21 | 69.9° | 62.3° |
| O5 | C1 | C2 | H22 | 171.1° | 177.5° |
| O5 | C1 | O1 | HO1 | 52.3° | 60.0° |
| C1 | O5 | C5 | H5 | 64.2° | 58.8° |
| O1 | C1 | C2 | C3 | 77.0° | 62.4° |
| O1 | C1 | O5 | C5 | 70.9° | 58.8° |
| O1 | C1 | C2 | H21 | 162.6° | 177.7° |
| O1 | C1 | C2 | H22 | 43.5° | 57.5° |
| C2 | C3 | C4 | C3A | 126.4° | 119.9° |
| C2 | C3 | C4 | N3 | 117.7° | 119.9° |
| C2 | C3 | C3A | N3 | 118.9° | 120.2° |
| C2 | C3 | C4 | C5 | 52.8° | 57.0° |
| C2 | C3 | C4 | O4 | 176.3° | 176.9° |
| C3 | C2 | C1 | H1 | 167.6° | 177.6° |
| C3 | C2 | H21 | H22 | 118.5° | 120.2° |
| C2 | C3 | C4 | H4 | 65.1° | 62.9° |
| C2 | C3 | C3A | H31 | 180.0° | 69.9° |
| C2 | C3 | C3A | H32 | 60.0° | 170.2° |
| C2 | C3 | C3A | H33 | 60.0° | 50.2° |
| C2 | C3 | N3 | HN31 | 180.0° | 60.0° |
| C2 | C3 | N3 | HN32 | 60.0° | 176.1° |
| C4 | C3 | C3A | N3 | 116.7° | 120.2° |
| C3 | C4 | C5 | O4 | 123.8° | 119.9° |
| C3 | C4 | C5 | H4 | 117.9° | 119.9° |
| C3 | C4 | O4 | H4 | 117.8° | 120.2° |
| C3 | C4 | C5 | O5 | 55.8° | 57.6° |
| C3 | C4 | C5 | C5A | 170.8° | 177.6° |
| C4 | C3 | C2 | H21 | 71.6° | 62.9° |
| C4 | C3 | C2 | H22 | 169.4° | 176.8° |
| C4 | C3 | C3A | H31 | 55.6° | 49.7° |
| C4 | C3 | C3A | H32 | 175.6° | 70.2° |
| C4 | C3 | C3A | H33 | 64.4° | 169.8° |
| C4 | C3 | N3 | HN31 | 61.4° | 179.6° |
| C4 | C3 | N3 | HN32 | 58.6° | 56.5° |
| C3 | C4 | C5 | H5 | 65.8° | 62.4° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3A | C3 | C4 | C5 | 73.5° | 62.9° |
| C3A | C3 | C4 | O4 | 50.0° | 57.0° |
| C3A | C3 | C2 | H21 | 163.1° | 177.2° |
| C3A | C3 | C2 | H22 | 44.1° | 57.0° |
| C3A | C3 | C4 | H4 | 168.6° | 177.2° |
| C3 | C3A | H31 | H32 | 120.0° | 120.0° |
| C3 | C3A | H31 | H33 | 120.0° | 120.0° |
| C3 | C3A | H32 | H33 | 120.0° | 120.0° |
| C3A | C3 | N3 | HN31 | 58.0° | 60.2° |
| C3A | C3 | N3 | HN32 | 178.0° | 63.7° |
| N3 | C3 | C4 | C5 | 170.6° | 176.8° |
| N3 | C3 | C4 | O4 | 65.9° | 63.2° |
| N3 | C3 | C2 | H21 | 45.5° | 57.0° |
| N3 | C3 | C2 | H22 | 73.5° | 63.3° |
| N3 | C3 | C4 | H4 | 52.7° | 56.9° |
| N3 | C3 | C3A | H31 | 61.1° | 169.9° |
| N3 | C3 | C3A | H32 | 58.9° | 50.0° |
| N3 | C3 | C3A | H33 | 178.9° | 70.0° |
| C3 | N3 | HN31 | HN32 | 120.0° | 123.9° |
| C5 | C4 | O4 | H4 | 117.4° | 120.1° |
| C4 | C5 | O5 | C5A | 121.3° | 120.0° |
| C4 | C5 | O5 | H5 | 121.1° | 119.9° |
| C4 | C5 | C5A | H5 | 123.5° | 119.9° |
| C5 | C4 | O4 | HO4 | 55.3° | 60.3° |
| C4 | C5 | C5A | H51 | 180.0° | 60.0° |
| C4 | C5 | C5A | H52 | 60.0° | 180.0° |
| C4 | C5 | C5A | H53 | 60.0° | 60.0° |
| O4 | C4 | C5 | O5 | 179.6° | 177.5° |
| O4 | C4 | C5 | C5A | 65.4° | 62.4° |
| O4 | C4 | C5 | H5 | 58.0° | 57.5° |
| O5 | C5 | C5A | H5 | 118.3° | 120.1° |
| C5 | O5 | C1 | H1 | 171.4° | 178.9° |
| O5 | C5 | C4 | H4 | 62.1° | 62.3° |
| O5 | C5 | C5A | H51 | 61.8° | 180.0° |
| O5 | C5 | C5A | H52 | 58.2° | 60.0° |
| O5 | C5 | C5A | H53 | 178.2° | 60.0° |
| C5A | C5 | C4 | H4 | 52.8° | 57.7° |
| C5 | C5A | H51 | H52 | 120.0° | 120.1° |
| C5 | C5A | H51 | H53 | 120.0° | 120.0° |
| C5 | C5A | H52 | H53 | 120.0° | 120.0° |
| H1 | C1 | C2 | H21 | 47.1° | 57.7° |
| H1 | C1 | C2 | H22 | 71.9° | 62.5° |
| H1 | C1 | O1 | HO1 | 65.4° | 60.1° |
| H4 | C4 | C5 | H5 | 176.3° | 177.7° |
| H4 | C4 | O4 | HO4 | 62.2° | 59.8° |
| H31 | C3A | H32 | H33 | 120.0° | 120.0° |
| H5 | C5 | C5A | H51 | 56.5° | 60.0° |
| H5 | C5 | C5A | H52 | 176.5° | 60.1° |
| H5 | C5 | C5A | H53 | 63.5° | 180.0° |
| H51 | C5A | H52 | H53 | 119.9° | 120.0° |
