GLL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| C1 | N1 | sing | 1.34Å | 1.30Å | |
| C1 | N2 | sing | 1.34Å | 1.29Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | C3 | sing | 1.47Å | 1.49Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C2 | N1' | sing | 1.47Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | N2' | sing | 1.47Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| N1' | C1' | sing | 1.34Å | 1.29Å | |
| N1' | HN1' | sing | 0.97Å | 1.02Å | |
| N2' | C1' | sing | 1.34Å | 1.30Å | |
| N2' | HN2' | sing | 0.97Å | 1.02Å | |
| C1' | O1' | doub | 1.22Å | 1.21Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 128.1° | 123.1° |
| O1 | C1 | N2 | 122.2° | 123.0° |
| N1 | C1 | N2 | 109.6° | 113.9° |
| C1 | N1 | C2 | 113.2° | 109.4° |
| C1 | N1 | HN1 | 110.8° | 125.3° |
| C1 | N2 | C3 | 113.9° | 109.3° |
| C1 | N2 | HN2 | 116.7° | 125.3° |
| C2 | N1 | HN1 | 110.8° | 125.3° |
| N1 | C2 | C3 | 102.0° | 103.7° |
| N1 | C2 | N1' | 119.0° | 109.6° |
| N1 | C2 | H2 | 105.9° | 112.7° |
| C3 | N2 | HN2 | 129.3° | 125.3° |
| N2 | C3 | C2 | 101.2° | 103.7° |
| N2 | C3 | N2' | 117.5° | 109.4° |
| N2 | C3 | H3 | 108.1° | 113.5° |
| C3 | C2 | N1' | 100.0° | 103.7° |
| C3 | C2 | H2 | 123.3° | 113.6° |
| C2 | C3 | N2' | 103.4° | 103.7° |
| C2 | C3 | H3 | 121.3° | 113.0° |
| N1' | C2 | H2 | 107.7° | 112.8° |
| C2 | N1' | C1' | 114.9° | 109.3° |
| C2 | N1' | HN1' | 110.3° | 125.4° |
| N2' | C3 | H3 | 106.1° | 112.8° |
| C3 | N2' | C1' | 112.1° | 109.3° |
| C3 | N2' | HN2' | 130.1° | 125.3° |
| C1' | N1' | HN1' | 110.2° | 125.3° |
| N1' | C1' | N2' | 109.7° | 114.0° |
| N1' | C1' | O1' | 124.8° | 123.0° |
| C1' | N2' | HN2' | 117.9° | 125.4° |
| N2' | C1' | O1' | 125.5° | 123.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N2 | 179.8° | 179.7° |
| O1 | C1 | N1 | C2 | 179.8° | 180.0° |
| O1 | C1 | N1 | HN1 | 55.0° | 0.1° |
| O1 | C1 | N2 | C3 | 179.9° | 179.9° |
| O1 | C1 | N2 | HN2 | 0.1° | 0.2° |
| C1 | N1 | C2 | HN1 | 125.3° | 179.9° |
| N1 | C1 | N2 | C3 | 0.4° | 0.4° |
| N1 | C1 | N2 | HN2 | 179.6° | 179.9° |
| C1 | N1 | C2 | C3 | 0.3° | 0.0° |
| C1 | N1 | C2 | N1' | 108.3° | 110.2° |
| C1 | N1 | C2 | H2 | 130.4° | 123.3° |
| N2 | C1 | N1 | C2 | 0.4° | 0.3° |
| N2 | C1 | N1 | HN1 | 124.8° | 179.9° |
| C1 | N2 | C3 | HN2 | 180.0° | 179.7° |
| C1 | N2 | C3 | C2 | 0.1° | 0.4° |
| C1 | N2 | C3 | N2' | 111.5° | 110.5° |
| C1 | N2 | C3 | H3 | 128.6° | 122.6° |
| N1 | C2 | C3 | N2 | 0.1° | 0.2° |
| N1 | C2 | C3 | N1' | 122.7° | 114.5° |
| N1 | C2 | C3 | H2 | 118.3° | 122.7° |
| N1 | C2 | N1' | H2 | 120.4° | 126.5° |
| N1 | C2 | C3 | N2' | 122.2° | 114.5° |
| N1 | C2 | C3 | H3 | 119.3° | 123.1° |
| N1 | C2 | N1' | C1' | 109.5° | 110.3° |
| N1 | C2 | N1' | HN1' | 125.2° | 69.8° |
| HN1 | N1 | C2 | C3 | 124.9° | 179.9° |
| HN1 | N1 | C2 | N1' | 126.4° | 69.9° |
| HN1 | N1 | C2 | H2 | 5.1° | 56.6° |
| N2 | C3 | C2 | N2' | 122.1° | 114.3° |
| N2 | C3 | C2 | H3 | 119.4° | 123.3° |
| N2 | C3 | C2 | N1' | 122.6° | 114.3° |
| N2 | C3 | C2 | H2 | 118.4° | 122.9° |
| N2 | C3 | N2' | H3 | 120.9° | 127.3° |
| N2 | C3 | N2' | C1' | 111.1° | 110.1° |
| N2 | C3 | N2' | HN2' | 68.9° | 69.9° |
| HN2 | N2 | C3 | C2 | 179.9° | 180.0° |
| HN2 | N2 | C3 | N2' | 68.5° | 69.8° |
| HN2 | N2 | C3 | H3 | 51.4° | 57.1° |
| C3 | C2 | N1' | H2 | 129.9° | 123.3° |
| C2 | C3 | N2' | H3 | 128.6° | 122.5° |
| C3 | C2 | N1' | C1' | 0.3° | 0.0° |
| C3 | C2 | N1' | HN1' | 125.0° | 180.0° |
| C2 | C3 | N2' | C1' | 0.7° | 0.0° |
| C2 | C3 | N2' | HN2' | 179.3° | 179.9° |
| N1' | C2 | C3 | N2' | 0.5° | 0.0° |
| N1' | C2 | C3 | H3 | 118.0° | 122.4° |
| C2 | N1' | C1' | HN1' | 125.3° | 179.9° |
| C2 | N1' | C1' | N2' | 0.2° | 0.1° |
| C2 | N1' | C1' | O1' | 179.4° | 179.9° |
| H2 | C2 | C3 | N2' | 119.5° | 122.8° |
| H2 | C2 | C3 | H3 | 1.0° | 0.3° |
| H2 | C2 | N1' | C1' | 130.1° | 123.3° |
| H2 | C2 | N1' | HN1' | 4.9° | 56.7° |
| C3 | N2' | C1' | N1' | 0.5° | 0.0° |
| C3 | N2' | C1' | HN2' | 180.0° | 179.9° |
| C3 | N2' | C1' | O1' | 179.1° | 180.0° |
| H3 | C3 | N2' | C1' | 127.9° | 122.5° |
| H3 | C3 | N2' | HN2' | 52.1° | 57.4° |
| N1' | C1' | N2' | O1' | 179.6° | 180.0° |
| N1' | C1' | N2' | HN2' | 179.5° | 180.0° |
| HN1' | N1' | C1' | N2' | 125.4° | 180.0° |
| HN1' | N1' | C1' | O1' | 54.1° | 0.0° |
| HN2' | N2' | C1' | O1' | 0.9° | 0.0° |
