APA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | OXT | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.31Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C1' | sing | 1.51Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.39Å | 1.36Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.40Å | 1.39Å | Aromatic |
| C4' | C | sing | 1.48Å | 1.40Å | |
| C5' | C6' | doub | 1.38Å | 1.41Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C | N1 | sing | 1.38Å | 1.30Å | |
| C | N2 | doub | 1.30Å | 1.33Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | OXT | 122.7° | 120.0° |
| O1 | C1 | C2 | 117.6° | 120.0° |
| OXT | C1 | C2 | 119.6° | 120.0° |
| C1 | OXT | HXT | 109.5° | 117.0° |
| C1 | C2 | O2 | 111.7° | 109.5° |
| C1 | C2 | C3 | 111.1° | 109.5° |
| C1 | C2 | H11 | 112.7° | 109.5° |
| O2 | C2 | C3 | 121.7° | 109.5° |
| O2 | C2 | H11 | 98.6° | 109.4° |
| C2 | O2 | H12 | 109.5° | 114.0° |
| C2 | C3 | C1' | 114.9° | 109.5° |
| C2 | C3 | H31 | 107.7° | 109.5° |
| C2 | C3 | H32 | 107.7° | 109.5° |
| C3 | C2 | H11 | 99.4° | 109.5° |
| C1' | C3 | H31 | 107.7° | 109.4° |
| C1' | C3 | H32 | 107.7° | 109.5° |
| C3 | C1' | C2' | 120.0° | 119.9° |
| C3 | C1' | C6' | 121.3° | 119.8° |
| H31 | C3 | H32 | 111.2° | 109.4° |
| C2' | C1' | C6' | 118.7° | 120.3° |
| C1' | C2' | C3' | 121.8° | 120.2° |
| C1' | C2' | H2' | 119.1° | 120.0° |
| C1' | C6' | C5' | 118.8° | 120.1° |
| C1' | C6' | H6' | 120.6° | 120.0° |
| C3' | C2' | H2' | 119.1° | 119.9° |
| C2' | C3' | C4' | 120.2° | 119.8° |
| C2' | C3' | H3' | 119.9° | 120.1° |
| C4' | C3' | H3' | 119.9° | 120.1° |
| C3' | C4' | C5' | 118.2° | 119.7° |
| C3' | C4' | C | 119.8° | 120.1° |
| C5' | C4' | C | 121.9° | 120.1° |
| C4' | C5' | C6' | 122.1° | 119.9° |
| C4' | C5' | H5' | 118.9° | 120.0° |
| C4' | C | N1 | 117.9° | 120.0° |
| C4' | C | N2 | 123.1° | 120.0° |
| C6' | C5' | H5' | 118.9° | 120.1° |
| C5' | C6' | H6' | 120.7° | 119.9° |
| N1 | C | N2 | 116.1° | 120.0° |
| C | N1 | HN11 | 120.0° | 119.9° |
| C | N1 | HN12 | 120.0° | 120.0° |
| C | N2 | HN2 | 112.0° | 120.0° |
| HN11 | N1 | HN12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | OXT | C2 | 177.1° | 179.8° |
| O1 | C1 | OXT | HXT | 0.0° | 0.0° |
| O1 | C1 | C2 | O2 | 151.0° | 5.0° |
| O1 | C1 | C2 | C3 | 69.6° | 115.0° |
| O1 | C1 | C2 | H11 | 41.0° | 125.0° |
| OXT | C1 | C2 | O2 | 26.3° | 174.7° |
| OXT | C1 | C2 | C3 | 113.2° | 65.3° |
| OXT | C1 | C2 | H11 | 136.3° | 54.8° |
| C2 | C1 | OXT | HXT | 177.2° | 179.8° |
| C1 | C2 | O2 | C3 | 134.6° | 120.0° |
| C1 | C2 | O2 | H11 | 118.7° | 120.0° |
| C1 | C2 | C3 | H11 | 118.9° | 120.0° |
| C1 | C2 | C3 | C1' | 170.4° | 175.0° |
| C1 | C2 | C3 | H31 | 50.4° | 65.0° |
| C1 | C2 | C3 | H32 | 69.6° | 55.0° |
| C1 | C2 | O2 | H12 | 180.0° | 60.0° |
| O2 | C2 | C3 | H11 | 106.3° | 120.0° |
| O2 | C2 | C3 | C1' | 35.6° | 65.0° |
| O2 | C2 | C3 | H31 | 84.4° | 55.0° |
| O2 | C2 | C3 | H32 | 155.6° | 175.0° |
| C2 | C3 | C1' | H31 | 120.0° | 120.0° |
| C2 | C3 | C1' | H32 | 120.0° | 120.1° |
| C2 | C3 | H31 | H32 | 117.8° | 120.0° |
| C2 | C3 | C1' | C2' | 132.9° | 90.0° |
| C2 | C3 | C1' | C6' | 48.0° | 90.3° |
| C3 | C2 | O2 | H12 | 45.4° | 60.0° |
| C1' | C3 | H31 | H32 | 117.8° | 120.0° |
| C3 | C1' | C2' | C6' | 179.1° | 179.8° |
| C3 | C1' | C2' | C3' | 176.2° | 180.0° |
| C3 | C1' | C2' | H2' | 3.8° | 0.0° |
| C3 | C1' | C6' | C5' | 176.9° | 179.8° |
| C3 | C1' | C6' | H6' | 3.1° | 0.0° |
| C1' | C3 | C2 | H11 | 70.7° | 55.0° |
| H31 | C3 | C1' | C2' | 13.0° | 30.0° |
| H31 | C3 | C1' | C6' | 168.0° | 149.7° |
| H31 | C3 | C2 | H11 | 169.3° | 175.0° |
| H32 | C3 | C1' | C2' | 107.0° | 150.0° |
| H32 | C3 | C1' | C6' | 72.0° | 29.8° |
| H32 | C3 | C2 | H11 | 49.3° | 65.1° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 1.2° | 0.1° |
| C1' | C2' | C3' | H3' | 178.8° | 180.0° |
| C2' | C1' | C6' | C5' | 4.1° | 0.5° |
| C2' | C1' | C6' | H6' | 176.0° | 179.7° |
| C6' | C1' | C2' | C3' | 4.7° | 0.3° |
| C6' | C1' | C2' | H2' | 175.3° | 179.8° |
| C1' | C6' | C5' | C4' | 0.1° | 0.4° |
| C1' | C6' | C5' | H6' | 180.0° | 179.8° |
| C1' | C6' | C5' | H5' | 179.9° | 179.7° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 2.7° | 0.0° |
| C2' | C3' | C4' | C | 179.5° | 180.0° |
| H2' | C2' | C3' | C4' | 178.8° | 180.0° |
| H2' | C2' | C3' | H3' | 1.2° | 0.0° |
| C3' | C4' | C5' | C | 176.7° | 180.0° |
| C3' | C4' | C5' | C6' | 3.3° | 0.2° |
| C3' | C4' | C5' | H5' | 176.7° | 179.9° |
| C3' | C4' | C | N1 | 5.5° | 180.0° |
| C3' | C4' | C | N2 | 165.5° | 0.0° |
| H3' | C3' | C4' | C5' | 177.3° | 180.0° |
| H3' | C3' | C4' | C | 0.5° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.9° |
| C4' | C5' | C6' | H6' | 179.9° | 179.8° |
| C5' | C4' | C | N1 | 177.8° | 0.0° |
| C5' | C4' | C | N2 | 17.9° | 180.0° |
| C | C4' | C5' | C6' | 180.0° | 179.8° |
| C | C4' | C5' | H5' | 0.0° | 0.1° |
| C4' | C | N1 | N2 | 161.4° | 179.9° |
| C4' | C | N1 | HN11 | 161.3° | 0.0° |
| C4' | C | N1 | HN12 | 18.7° | 180.0° |
| C4' | C | N2 | HN2 | 160.3° | 180.0° |
| H5' | C5' | C6' | H6' | 0.1° | 0.1° |
| C | N1 | HN11 | HN12 | 180.0° | 179.9° |
| N1 | C | N2 | HN2 | 0.0° | 0.0° |
| N2 | C | N1 | HN11 | 0.0° | 180.0° |
| N2 | C | N1 | HN12 | 180.0° | 0.1° |
| H11 | C2 | O2 | H12 | 61.3° | 180.0° |
