152
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.21Å | 1.25Å | |
| C1 | O1B | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | N5 | sing | 1.47Å | 1.47Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| N5 | C5A | sing | 1.47Å | 1.46Å | |
| N5 | C5B | sing | 1.47Å | 1.46Å | |
| N5 | C5C | sing | 1.47Å | 1.46Å | |
| C5A | H5A1 | sing | 1.09Å | 1.12Å | |
| C5A | H5A2 | sing | 1.09Å | 1.11Å | |
| C5A | H5A3 | sing | 1.09Å | 1.12Å | |
| C5B | H5B1 | sing | 1.09Å | 1.12Å | |
| C5B | H5B2 | sing | 1.09Å | 1.11Å | |
| C5B | H5B3 | sing | 1.09Å | 1.11Å | |
| C5C | H5C1 | sing | 1.09Å | 1.12Å | |
| C5C | H5C2 | sing | 1.09Å | 1.11Å | |
| C5C | H5C3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 122.2° | 120.0° |
| O1A | C1 | C2 | 117.9° | 120.0° |
| O1B | C1 | C2 | 117.9° | 120.0° |
| C1 | O1B | H1B | 122.2° | 120.0° |
| C1 | C2 | C3 | 112.8° | 109.5° |
| C1 | C2 | H21 | 111.0° | 109.5° |
| C1 | C2 | H22 | 111.1° | 109.5° |
| C3 | C2 | H21 | 111.0° | 109.5° |
| C3 | C2 | H22 | 111.0° | 109.4° |
| C2 | C3 | O3 | 108.1° | 109.5° |
| C2 | C3 | C4 | 108.4° | 109.5° |
| C2 | C3 | H3 | 111.0° | 109.5° |
| H21 | C2 | H22 | 99.3° | 109.5° |
| O3 | C3 | C4 | 109.4° | 109.5° |
| O3 | C3 | H3 | 110.1° | 109.4° |
| C3 | O3 | HO3 | 108.2° | 106.8° |
| C4 | C3 | H3 | 109.8° | 109.5° |
| C3 | C4 | N5 | 111.5° | 109.5° |
| C3 | C4 | H41 | 111.5° | 109.5° |
| C3 | C4 | H42 | 111.5° | 109.5° |
| N5 | C4 | H41 | 111.4° | 109.5° |
| N5 | C4 | H42 | 111.4° | 109.5° |
| C4 | N5 | C5A | 110.4° | 109.5° |
| C4 | N5 | C5B | 110.2° | 109.5° |
| C4 | N5 | C5C | 108.7° | 109.5° |
| H41 | C4 | H42 | 98.9° | 109.4° |
| C5A | N5 | C5B | 109.5° | 109.4° |
| C5A | N5 | C5C | 109.0° | 109.5° |
| N5 | C5A | H5A1 | 110.4° | 109.5° |
| N5 | C5A | H5A2 | 111.9° | 109.5° |
| N5 | C5A | H5A3 | 111.9° | 109.5° |
| C5B | N5 | C5C | 108.9° | 109.4° |
| N5 | C5B | H5B1 | 110.2° | 109.5° |
| N5 | C5B | H5B2 | 112.0° | 109.4° |
| N5 | C5B | H5B3 | 112.0° | 109.4° |
| N5 | C5C | H5C1 | 108.7° | 109.4° |
| N5 | C5C | H5C2 | 112.5° | 109.5° |
| N5 | C5C | H5C3 | 112.5° | 109.5° |
| H5A1 | C5A | H5A2 | 111.9° | 109.5° |
| H5A1 | C5A | H5A3 | 111.8° | 109.5° |
| H5A2 | C5A | H5A3 | 98.6° | 109.4° |
| H5B1 | C5B | H5B2 | 111.9° | 109.5° |
| H5B1 | C5B | H5B3 | 111.9° | 109.5° |
| H5B2 | C5B | H5B3 | 98.4° | 109.5° |
| H5C1 | C5C | H5C2 | 112.4° | 109.4° |
| H5C1 | C5C | H5C3 | 112.5° | 109.5° |
| H5C2 | C5C | H5C3 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 163.7° | 180.0° |
| O1A | C1 | O1B | H1B | 180.0° | 0.0° |
| O1A | C1 | C2 | C3 | 150.4° | 0.0° |
| O1A | C1 | C2 | H21 | 84.3° | 120.0° |
| O1A | C1 | C2 | H22 | 25.2° | 120.0° |
| O1B | C1 | C2 | C3 | 45.1° | 180.0° |
| O1B | C1 | C2 | H21 | 80.1° | 60.0° |
| O1B | C1 | C2 | H22 | 170.3° | 60.0° |
| C2 | C1 | O1B | H1B | 16.3° | 180.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 116.9° | 120.0° |
| C1 | C2 | C3 | O3 | 172.8° | 65.0° |
| C1 | C2 | C3 | C4 | 68.7° | 175.0° |
| C1 | C2 | C3 | H3 | 52.0° | 54.9° |
| C3 | C2 | H21 | H22 | 116.8° | 120.0° |
| C2 | C3 | O3 | C4 | 117.9° | 120.0° |
| C2 | C3 | O3 | H3 | 121.4° | 119.9° |
| C2 | C3 | C4 | H3 | 121.5° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | N5 | 169.1° | 172.8° |
| C2 | C3 | C4 | H41 | 65.6° | 52.8° |
| C2 | C3 | C4 | H42 | 43.9° | 67.1° |
| H21 | C2 | C3 | O3 | 47.5° | 175.0° |
| H21 | C2 | C3 | C4 | 166.0° | 55.0° |
| H21 | C2 | C3 | H3 | 73.3° | 65.1° |
| H22 | C2 | C3 | O3 | 61.9° | 55.0° |
| H22 | C2 | C3 | C4 | 56.6° | 65.0° |
| H22 | C2 | C3 | H3 | 177.3° | 174.9° |
| O3 | C3 | C4 | H3 | 120.9° | 120.0° |
| O3 | C3 | C4 | N5 | 73.2° | 67.1° |
| O3 | C3 | C4 | H41 | 52.1° | 172.8° |
| O3 | C3 | C4 | H42 | 161.6° | 52.9° |
| C4 | C3 | O3 | HO3 | 62.1° | 60.0° |
| C3 | C4 | N5 | H41 | 125.3° | 120.1° |
| C3 | C4 | N5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.4° | 120.0° |
| C3 | C4 | N5 | C5A | 56.7° | 63.3° |
| C3 | C4 | N5 | C5B | 64.5° | 56.7° |
| C3 | C4 | N5 | C5C | 176.3° | 176.7° |
| H3 | C3 | O3 | HO3 | 58.6° | 180.0° |
| H3 | C3 | C4 | N5 | 47.7° | 52.8° |
| H3 | C3 | C4 | H41 | 172.9° | 67.2° |
| H3 | C3 | C4 | H42 | 77.6° | 172.8° |
| N5 | C4 | H41 | H42 | 117.3° | 119.9° |
| C4 | N5 | C5A | C5B | 121.5° | 120.0° |
| C4 | N5 | C5A | C5C | 119.4° | 120.1° |
| C4 | N5 | C5B | C5C | 119.1° | 120.1° |
| C4 | N5 | C5A | H5A1 | 180.0° | 70.5° |
| C4 | N5 | C5A | H5A2 | 54.7° | 49.5° |
| C4 | N5 | C5A | H5A3 | 54.8° | 169.5° |
| C4 | N5 | C5B | H5B1 | 180.0° | 180.0° |
| C4 | N5 | C5B | H5B2 | 54.7° | 60.0° |
| C4 | N5 | C5B | H5B3 | 54.8° | 60.0° |
| C4 | N5 | C5C | H5C1 | 180.0° | 60.0° |
| C4 | N5 | C5C | H5C2 | 54.8° | 59.9° |
| C4 | N5 | C5C | H5C3 | 54.7° | 180.0° |
| H41 | C4 | N5 | C5A | 178.1° | 176.6° |
| H41 | C4 | N5 | C5B | 60.8° | 63.4° |
| H41 | C4 | N5 | C5C | 58.5° | 56.6° |
| H42 | C4 | N5 | C5A | 68.6° | 56.7° |
| H42 | C4 | N5 | C5B | 170.2° | 176.7° |
| H42 | C4 | N5 | C5C | 51.0° | 63.3° |
| C5A | N5 | C5B | C5C | 119.2° | 120.0° |
| N5 | C5A | H5A1 | H5A2 | 125.3° | 120.0° |
| N5 | C5A | H5A1 | H5A3 | 125.2° | 120.0° |
| N5 | C5A | H5A2 | H5A3 | 117.8° | 120.0° |
| C5A | N5 | C5B | H5B1 | 58.3° | 60.0° |
| C5A | N5 | C5B | H5B2 | 66.9° | 180.0° |
| C5A | N5 | C5B | H5B3 | 176.4° | 60.0° |
| C5A | N5 | C5C | H5C1 | 59.6° | 60.0° |
| C5A | N5 | C5C | H5C2 | 175.2° | 180.0° |
| C5A | N5 | C5C | H5C3 | 65.7° | 60.0° |
| C5B | N5 | C5A | H5A1 | 58.5° | 49.5° |
| C5B | N5 | C5A | H5A2 | 176.3° | 169.5° |
| C5B | N5 | C5A | H5A3 | 66.8° | 70.6° |
| N5 | C5B | H5B1 | H5B2 | 125.3° | 120.0° |
| N5 | C5B | H5B1 | H5B3 | 125.3° | 120.0° |
| N5 | C5B | H5B2 | H5B3 | 117.9° | 120.0° |
| C5B | N5 | C5C | H5C1 | 59.9° | 180.0° |
| C5B | N5 | C5C | H5C2 | 65.3° | 60.1° |
| C5B | N5 | C5C | H5C3 | 174.8° | 60.0° |
| C5C | N5 | C5A | H5A1 | 60.6° | 169.4° |
| C5C | N5 | C5A | H5A2 | 64.6° | 70.5° |
| C5C | N5 | C5A | H5A3 | 174.1° | 49.4° |
| C5C | N5 | C5B | H5B1 | 60.8° | 60.0° |
| C5C | N5 | C5B | H5B2 | 173.9° | 60.1° |
| C5C | N5 | C5B | H5B3 | 64.4° | 180.0° |
| N5 | C5C | H5C1 | H5C2 | 125.2° | 119.9° |
| N5 | C5C | H5C1 | H5C3 | 125.3° | 120.0° |
| N5 | C5C | H5C2 | H5C3 | 118.5° | 120.1° |
| H5A1 | C5A | H5A2 | H5A3 | 117.7° | 120.0° |
| H5B1 | C5B | H5B2 | H5B3 | 117.7° | 120.0° |
| H5C1 | C5C | H5C2 | H5C3 | 118.4° | 120.0° |
