285
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.49Å | 1.28Å | |
| N1 | C5 | sing | 1.49Å | 1.47Å | |
| C2 | C2M | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C3 | C3M | sing | 1.53Å | 1.51Å | |
| C3 | O4 | sing | 1.44Å | 1.46Å | |
| O4 | C5 | sing | 1.44Å | 1.46Å | |
| C5 | C5M | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2M | H2M1 | sing | 1.09Å | 1.10Å | |
| C2M | H2M2 | sing | 1.09Å | 1.10Å | |
| C2M | H2M3 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3M | H3M1 | sing | 1.09Å | 1.10Å | |
| C3M | H3M2 | sing | 1.09Å | 1.10Å | |
| C3M | H3M3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5M | H5M1 | sing | 1.09Å | 1.10Å | |
| C5M | H5M2 | sing | 1.09Å | 1.10Å | |
| C5M | H5M3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 109.3° | 102.3° |
| N1 | C2 | C2M | 123.9° | 110.8° |
| N1 | C2 | C3 | 109.6° | 102.6° |
| C2 | N1 | H1 | 109.5° | 111.0° |
| N1 | C2 | H2 | 133.4° | 110.7° |
| N1 | C5 | O4 | 107.1° | 105.8° |
| N1 | C5 | C5M | 112.0° | 110.2° |
| C5 | N1 | H1 | 109.5° | 111.0° |
| N1 | C5 | H5 | 110.9° | 110.2° |
| C2M | C2 | C3 | 126.5° | 110.8° |
| C2M | C2 | H2 | 12.8° | 110.7° |
| C2 | C2M | H2M1 | 109.5° | 109.5° |
| C2 | C2M | H2M2 | 109.5° | 109.4° |
| C2 | C2M | H2M3 | 109.5° | 109.5° |
| C2 | C3 | C3M | 114.5° | 110.1° |
| C2 | C3 | O4 | 103.7° | 106.1° |
| C3 | C2 | H2 | 116.4° | 110.9° |
| C2 | C3 | H3 | 111.7° | 110.1° |
| C3M | C3 | O4 | 114.0° | 110.2° |
| C3M | C3 | H3 | 101.0° | 110.1° |
| C3 | C3M | H3M1 | 109.5° | 109.4° |
| C3 | C3M | H3M2 | 109.4° | 109.5° |
| C3 | C3M | H3M3 | 109.5° | 109.5° |
| C3 | O4 | C5 | 105.6° | 108.3° |
| O4 | C3 | H3 | 112.3° | 110.2° |
| O4 | C5 | C5M | 113.6° | 110.2° |
| O4 | C5 | H5 | 109.2° | 110.2° |
| C5M | C5 | H5 | 104.0° | 110.2° |
| C5 | C5M | H5M1 | 109.5° | 109.5° |
| C5 | C5M | H5M2 | 109.5° | 109.5° |
| C5 | C5M | H5M3 | 109.5° | 109.5° |
| H2M1 | C2M | H2M2 | 109.5° | 109.5° |
| H2M1 | C2M | H2M3 | 109.4° | 109.5° |
| H2M2 | C2M | H2M3 | 109.5° | 109.4° |
| H3M1 | C3M | H3M2 | 109.5° | 109.5° |
| H3M1 | C3M | H3M3 | 109.4° | 109.5° |
| H3M2 | C3M | H3M3 | 109.5° | 109.4° |
| H5M1 | C5M | H5M2 | 109.5° | 109.4° |
| H5M1 | C5M | H5M3 | 109.5° | 109.5° |
| H5M2 | C5M | H5M3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | H1 | 120.0° | 118.5° |
| N1 | C2 | C2M | C3 | 178.5° | 113.2° |
| N1 | C2 | C2M | H2 | 141.5° | 123.3° |
| N1 | C2 | C3 | H2 | 172.2° | 118.3° |
| N1 | C2 | C3 | C3M | 147.4° | 140.8° |
| N1 | C2 | C3 | O4 | 22.6° | 21.6° |
| C2 | N1 | C5 | O4 | 8.3° | 38.1° |
| C2 | N1 | C5 | C5M | 133.5° | 157.2° |
| N1 | C2 | C2M | H2M1 | 4.8° | 61.4° |
| N1 | C2 | C2M | H2M2 | 124.8° | 178.5° |
| N1 | C2 | C2M | H2M3 | 115.1° | 58.6° |
| N1 | C2 | C3 | H3 | 98.6° | 97.7° |
| C2 | N1 | C5 | H5 | 110.8° | 81.0° |
| C5 | N1 | C2 | C2M | 162.3° | 153.9° |
| C5 | N1 | C2 | C3 | 19.0° | 35.6° |
| N1 | C5 | O4 | C3 | 6.3° | 24.8° |
| N1 | C5 | O4 | C5M | 124.2° | 119.1° |
| N1 | C5 | O4 | H5 | 120.2° | 119.0° |
| N1 | C5 | C5M | H5 | 119.9° | 121.8° |
| C5 | N1 | C2 | H2 | 151.4° | 82.8° |
| N1 | C5 | C5M | H5M1 | 92.7° | 60.0° |
| N1 | C5 | C5M | H5M2 | 27.3° | 180.0° |
| N1 | C5 | C5M | H5M3 | 147.3° | 59.9° |
| C2M | C2 | C3 | H2 | 9.1° | 123.4° |
| C2M | C2 | C3 | C3M | 33.9° | 100.9° |
| C2M | C2 | C3 | O4 | 158.7° | 139.9° |
| C2M | C2 | N1 | H1 | 42.3° | 87.6° |
| C2 | C2M | H2M1 | H2M2 | 120.0° | 120.0° |
| C2 | C2M | H2M1 | H2M3 | 120.0° | 120.0° |
| C2 | C2M | H2M2 | H2M3 | 120.0° | 119.9° |
| C2M | C2 | C3 | H3 | 80.1° | 20.6° |
| C2 | C3 | C3M | O4 | 119.2° | 116.7° |
| C2 | C3 | C3M | H3 | 120.2° | 121.6° |
| C2 | C3 | O4 | H3 | 120.8° | 119.2° |
| C2 | C3 | O4 | C5 | 16.1° | 1.7° |
| C3 | C2 | N1 | H1 | 139.0° | 154.1° |
| C3 | C2 | C2M | H2M1 | 176.7° | 174.7° |
| C3 | C2 | C2M | H2M2 | 56.7° | 65.3° |
| C3 | C2 | C2M | H2M3 | 63.3° | 54.6° |
| C2 | C3 | C3M | H3M1 | 130.3° | 60.0° |
| C2 | C3 | C3M | H3M2 | 10.2° | 180.0° |
| C2 | C3 | C3M | H3M3 | 109.7° | 60.0° |
| C3M | C3 | O4 | H3 | 114.0° | 121.6° |
| C3M | C3 | O4 | C5 | 141.3° | 117.4° |
| C3M | C3 | C2 | H2 | 24.8° | 22.5° |
| C3 | C3M | H3M1 | H3M2 | 120.0° | 120.0° |
| C3 | C3M | H3M1 | H3M3 | 120.0° | 120.0° |
| C3 | C3M | H3M2 | H3M3 | 120.0° | 120.0° |
| C3 | O4 | C5 | C5M | 117.9° | 143.9° |
| O4 | C3 | C2 | H2 | 149.6° | 96.7° |
| O4 | C3 | C3M | H3M1 | 110.5° | 56.7° |
| O4 | C3 | C3M | H3M2 | 129.4° | 63.3° |
| O4 | C3 | C3M | H3M3 | 9.5° | 176.7° |
| C3 | O4 | C5 | H5 | 126.5° | 94.2° |
| O4 | C5 | C5M | H5 | 118.6° | 121.9° |
| O4 | C5 | N1 | H1 | 128.2° | 156.6° |
| C5 | O4 | C3 | H3 | 104.6° | 121.0° |
| O4 | C5 | C5M | H5M1 | 145.8° | 56.3° |
| O4 | C5 | C5M | H5M2 | 94.2° | 63.6° |
| O4 | C5 | C5M | H5M3 | 25.8° | 176.3° |
| C5M | C5 | N1 | H1 | 106.6° | 84.3° |
| C5 | C5M | H5M1 | H5M2 | 120.0° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 120.0° | 120.0° |
| C5 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |
| H1 | N1 | C2 | H2 | 31.4° | 35.7° |
| H1 | N1 | C5 | H5 | 9.2° | 37.5° |
| H2 | C2 | C2M | H2M1 | 136.7° | 61.8° |
| H2 | C2 | C2M | H2M2 | 16.7° | 58.2° |
| H2 | C2 | C2M | H2M3 | 103.3° | 178.1° |
| H2 | C2 | C3 | H3 | 89.2° | 144.1° |
| H2M1 | C2M | H2M2 | H2M3 | 120.0° | 120.1° |
| H3 | C3 | C3M | H3M1 | 10.1° | 178.4° |
| H3 | C3 | C3M | H3M2 | 109.9° | 58.4° |
| H3 | C3 | C3M | H3M3 | 130.1° | 61.6° |
| H3M1 | C3M | H3M2 | H3M3 | 120.0° | 120.0° |
| H5 | C5 | C5M | H5M1 | 27.2° | 178.2° |
| H5 | C5 | C5M | H5M2 | 147.2° | 58.2° |
| H5 | C5 | C5M | H5M3 | 92.8° | 61.8° |
| H5M1 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |
