1N5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | C1 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | O1A | sing | 1.34Å | 1.26Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | C1 | C2 | 117.7° | 120.0° |
| O1B | C1 | O1A | 125.1° | 120.0° |
| C2 | C1 | O1A | 117.2° | 120.0° |
| C1 | C2 | C3 | 109.2° | 109.4° |
| C1 | C2 | O2 | 111.1° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| C1 | O1A | HO1A | 109.5° | 117.0° |
| C3 | C2 | O2 | 110.7° | 109.5° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C2 | C3 | C4 | 112.3° | 109.5° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| C2 | C3 | H3A | 107.9° | 109.5° |
| O2 | C2 | H2 | 107.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C4 | C3 | H3A | 107.9° | 109.4° |
| C3 | C4 | O4 | 109.7° | 109.5° |
| C3 | C4 | C5 | 109.2° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| H3 | C3 | H3A | 111.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C4 | C5 | 109.0° | 109.4° |
| O4 | C4 | H4 | 109.5° | 109.5° |
| O7 | C7 | C6 | 109.8° | 109.4° |
| O7 | C7 | H7 | 109.3° | 109.4° |
| O7 | C7 | H7A | 109.2° | 109.4° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C6 | C7 | H7 | 109.4° | 109.5° |
| C6 | C7 | H7A | 109.3° | 109.5° |
| C7 | C6 | C5 | 109.3° | 109.4° |
| C7 | C6 | H6 | 109.5° | 109.5° |
| C7 | C6 | H6A | 109.6° | 109.5° |
| H7 | C7 | H7A | 109.8° | 109.5° |
| C5 | C4 | H4 | 110.1° | 109.5° |
| C4 | C5 | C6 | 111.5° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C4 | C5 | H5A | 108.3° | 109.4° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C6 | C5 | H5A | 108.3° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.6° | 109.5° |
| H5 | C5 | H5A | 111.1° | 109.5° |
| H6 | C6 | H6A | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | C1 | C2 | O1A | 179.6° | 179.7° |
| O1B | C1 | C2 | C3 | 53.7° | 115.3° |
| O1B | C1 | C2 | O2 | 176.1° | 4.7° |
| O1B | C1 | C2 | H2 | 65.7° | 124.8° |
| O1B | C1 | O1A | HO1A | 0.0° | 0.3° |
| C1 | C2 | C3 | O2 | 122.7° | 120.0° |
| C1 | C2 | C3 | H2 | 119.1° | 120.0° |
| C1 | C2 | O2 | H2 | 119.0° | 120.0° |
| C1 | C2 | C3 | C4 | 172.4° | 175.0° |
| C1 | C2 | C3 | H3 | 67.6° | 55.0° |
| C1 | C2 | C3 | H3A | 53.6° | 65.1° |
| C1 | C2 | O2 | HO2 | 95.1° | 60.0° |
| C2 | C1 | O1A | HO1A | 179.6° | 180.0° |
| O1A | C1 | C2 | C3 | 126.7° | 65.0° |
| O1A | C1 | C2 | O2 | 4.3° | 175.0° |
| O1A | C1 | C2 | H2 | 113.9° | 55.0° |
| C3 | C2 | O2 | H2 | 119.4° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 118.8° | 120.0° |
| C2 | C3 | H3 | H3A | 118.9° | 120.0° |
| C2 | C3 | C4 | O4 | 85.4° | 65.0° |
| C2 | C3 | C4 | C5 | 155.2° | 175.0° |
| C2 | C3 | C4 | H4 | 34.7° | 55.0° |
| C3 | C2 | O2 | HO2 | 143.3° | 60.0° |
| O2 | C2 | C3 | C4 | 49.7° | 65.0° |
| O2 | C2 | C3 | H3 | 169.7° | 175.0° |
| O2 | C2 | C3 | H3A | 69.1° | 54.9° |
| H2 | C2 | C3 | C4 | 68.5° | 55.0° |
| H2 | C2 | C3 | H3 | 51.5° | 65.0° |
| H2 | C2 | C3 | H3A | 172.7° | 175.0° |
| H2 | C2 | O2 | HO2 | 23.9° | 180.0° |
| C4 | C3 | H3 | H3A | 118.8° | 119.9° |
| C3 | C4 | O4 | C5 | 119.6° | 120.0° |
| C3 | C4 | O4 | H4 | 120.0° | 120.0° |
| C3 | C4 | O4 | HO4 | 74.7° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 122.9° | 175.0° |
| C3 | C4 | C5 | H5 | 117.1° | 65.0° |
| C3 | C4 | C5 | H5A | 3.8° | 55.0° |
| H3 | C3 | C4 | O4 | 34.6° | 55.0° |
| H3 | C3 | C4 | C5 | 84.8° | 64.9° |
| H3 | C3 | C4 | H4 | 154.7° | 175.0° |
| H3A | C3 | C4 | O4 | 155.8° | 175.0° |
| H3A | C3 | C4 | C5 | 36.4° | 55.0° |
| H3A | C3 | C4 | H4 | 84.1° | 65.0° |
| O4 | C4 | C5 | H4 | 120.1° | 120.0° |
| O4 | C4 | C5 | C6 | 117.2° | 65.0° |
| O4 | C4 | C5 | H5 | 2.8° | 55.0° |
| O4 | C4 | C5 | H5A | 123.7° | 175.0° |
| HO4 | O4 | C4 | C5 | 44.8° | 60.0° |
| HO4 | O4 | C4 | H4 | 165.3° | 180.0° |
| O7 | C7 | C6 | H7 | 120.0° | 119.9° |
| O7 | C7 | C6 | H7A | 119.8° | 120.0° |
| O7 | C7 | H7 | H7A | 119.8° | 120.0° |
| O7 | C7 | C6 | C5 | 179.6° | 180.0° |
| O7 | C7 | C6 | H6 | 60.4° | 60.0° |
| O7 | C7 | C6 | H6A | 59.6° | 60.0° |
| C6 | C7 | H7 | H7A | 119.9° | 120.1° |
| C7 | C6 | C5 | C4 | 100.1° | 180.0° |
| C7 | C6 | C5 | H6 | 120.0° | 120.0° |
| C7 | C6 | C5 | H6A | 120.1° | 120.0° |
| C7 | C6 | C5 | H5 | 139.9° | 60.0° |
| C7 | C6 | C5 | H5A | 19.1° | 60.0° |
| C7 | C6 | H6 | H6A | 120.1° | 120.0° |
| C6 | C7 | O7 | HO7 | 63.9° | 180.0° |
| H7 | C7 | C6 | C5 | 59.6° | 60.0° |
| H7 | C7 | C6 | H6 | 179.6° | 59.9° |
| H7 | C7 | C6 | H6A | 60.4° | 179.9° |
| H7 | C7 | O7 | HO7 | 56.1° | 60.0° |
| H7A | C7 | C6 | C5 | 60.6° | 60.1° |
| H7A | C7 | C6 | H6 | 59.4° | 180.0° |
| H7A | C7 | C6 | H6A | 179.4° | 60.0° |
| H7A | C7 | O7 | HO7 | 176.2° | 60.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.1° |
| C4 | C5 | C6 | H5A | 119.1° | 119.9° |
| C4 | C5 | H5 | H5A | 119.2° | 120.0° |
| C4 | C5 | C6 | H6 | 139.9° | 60.1° |
| C4 | C5 | C6 | H6A | 20.0° | 60.0° |
| H4 | C4 | C5 | C6 | 2.9° | 55.0° |
| H4 | C4 | C5 | H5 | 122.9° | 175.0° |
| H4 | C4 | C5 | H5A | 116.2° | 65.0° |
| C6 | C5 | H5 | H5A | 119.2° | 120.0° |
| C5 | C6 | H6 | H6A | 120.1° | 120.1° |
| H5 | C5 | C6 | H6 | 19.9° | 60.0° |
| H5 | C5 | C6 | H6A | 100.0° | 180.0° |
| H5A | C5 | C6 | H6 | 100.9° | NaN° |
| H5A | C5 | C6 | H6A | 139.1° | 60.0° |
