4R9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N1 | sing | 1.42Å | 1.38Å | |
| N1 | C1 | sing | 1.35Å | 1.31Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N1 | C1 | 118.9° | 120.0° |
| O2 | N1 | H12 | 120.6° | 120.0° |
| N1 | O2 | H13 | 109.5° | 114.0° |
| N1 | C1 | O1 | 123.0° | 120.0° |
| N1 | C1 | C2 | 114.2° | 120.0° |
| C1 | N1 | H12 | 120.6° | 120.0° |
| O1 | C1 | C2 | 122.7° | 120.0° |
| C1 | C2 | C3 | 110.9° | 109.5° |
| C1 | C2 | H1 | 109.1° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| C2 | C3 | C4 | 115.3° | 109.5° |
| C3 | C2 | H1 | 109.1° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C2 | C3 | H3 | 108.0° | 109.5° |
| C2 | C3 | H4 | 108.0° | 109.5° |
| C3 | C4 | C5 | 111.8° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.4° |
| C4 | C3 | H4 | 108.0° | 109.4° |
| C3 | C4 | H5 | 108.9° | 109.5° |
| C3 | C4 | H6 | 108.9° | 109.4° |
| C4 | C5 | C6 | 121.0° | 120.0° |
| C4 | C5 | C10 | 120.6° | 120.0° |
| C5 | C4 | H5 | 108.9° | 109.5° |
| C5 | C4 | H6 | 108.9° | 109.5° |
| C6 | C5 | C10 | 118.3° | 120.0° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C5 | C6 | H7 | 119.6° | 120.0° |
| C5 | C10 | C9 | 121.1° | 120.0° |
| C5 | C10 | H11 | 119.5° | 120.0° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C7 | C6 | H7 | 119.5° | 120.0° |
| C6 | C7 | H8 | 120.1° | 120.0° |
| C10 | C9 | C8 | 119.9° | 120.0° |
| C10 | C9 | H10 | 120.0° | 120.0° |
| C9 | C10 | H11 | 119.4° | 120.0° |
| C7 | C8 | C9 | 119.8° | 120.0° |
| C8 | C7 | H8 | 120.0° | 120.0° |
| C7 | C8 | H9 | 120.1° | 120.0° |
| C9 | C8 | H9 | 120.1° | 120.0° |
| C8 | C9 | H10 | 120.0° | 120.1° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H5 | C4 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N1 | C1 | H12 | 180.0° | 179.9° |
| O2 | N1 | C1 | O1 | 4.7° | 0.1° |
| O2 | N1 | C1 | C2 | 171.8° | 179.7° |
| N1 | C1 | O1 | C2 | 176.2° | 179.6° |
| N1 | C1 | C2 | C3 | 111.1° | 179.7° |
| N1 | C1 | C2 | H1 | 128.7° | 59.7° |
| N1 | C1 | C2 | H2 | 9.1° | 60.3° |
| C1 | N1 | O2 | H13 | 2.2° | 180.0° |
| O1 | C1 | C2 | C3 | 65.5° | 0.1° |
| O1 | C1 | C2 | H1 | 54.7° | 120.0° |
| O1 | C1 | C2 | H2 | 174.3° | 120.0° |
| O1 | C1 | N1 | H12 | 175.2° | 180.0° |
| C1 | C2 | C3 | H1 | 120.2° | 120.1° |
| C1 | C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 38.5° | 180.0° |
| C1 | C2 | H1 | H2 | 119.4° | 120.0° |
| C1 | C2 | C3 | H3 | 82.4° | 60.0° |
| C1 | C2 | C3 | H4 | 159.3° | 60.1° |
| C2 | C1 | N1 | H12 | 8.3° | 0.4° |
| C2 | C3 | C4 | H3 | 120.9° | 120.0° |
| C2 | C3 | C4 | H4 | 120.9° | 120.0° |
| C2 | C3 | C4 | C5 | 175.9° | 180.0° |
| C3 | C2 | H1 | H2 | 119.3° | 120.0° |
| C2 | C3 | H3 | H4 | 117.3° | 120.0° |
| C2 | C3 | C4 | H5 | 55.6° | 60.0° |
| C2 | C3 | C4 | H6 | 63.7° | 60.0° |
| C3 | C4 | C5 | H5 | 120.4° | 120.0° |
| C3 | C4 | C5 | H6 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 88.4° | 90.0° |
| C3 | C4 | C5 | C10 | 88.6° | 90.3° |
| C4 | C3 | C2 | H1 | 158.7° | 60.0° |
| C4 | C3 | C2 | H2 | 81.8° | 60.0° |
| C4 | C3 | H3 | H4 | 117.3° | 120.0° |
| C3 | C4 | H5 | H6 | 119.0° | 120.0° |
| C4 | C5 | C6 | C10 | 177.0° | 179.7° |
| C4 | C5 | C6 | C7 | 177.9° | 180.0° |
| C4 | C5 | C10 | C9 | 179.2° | 179.8° |
| C5 | C4 | C3 | H3 | 63.2° | 60.0° |
| C5 | C4 | C3 | H4 | 55.1° | 60.0° |
| C5 | C4 | H5 | H6 | 118.9° | 120.0° |
| C4 | C5 | C6 | H7 | 2.1° | 0.1° |
| C4 | C5 | C10 | H11 | 0.8° | 0.0° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C5 | C10 | C9 | 2.2° | 0.5° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C6 | C5 | C4 | H5 | 32.0° | 30.0° |
| C6 | C5 | C4 | H6 | 151.3° | 150.0° |
| C5 | C6 | C7 | H8 | 179.4° | 179.9° |
| C6 | C5 | C10 | H11 | 177.8° | 179.7° |
| C10 | C5 | C6 | C7 | 0.9° | 0.3° |
| C5 | C10 | C9 | H11 | 180.0° | 179.8° |
| C5 | C10 | C9 | C8 | 1.9° | 0.5° |
| C10 | C5 | C4 | H5 | 151.1° | 149.7° |
| C10 | C5 | C4 | H6 | 31.8° | 29.7° |
| C10 | C5 | C6 | H7 | 179.1° | 179.8° |
| C5 | C10 | C9 | H10 | 178.1° | 179.7° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.0° | 0.0° |
| C6 | C7 | C8 | H9 | 179.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.2° |
| C10 | C9 | C8 | H10 | 180.0° | 179.8° |
| C10 | C9 | C8 | H9 | 179.8° | 179.8° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C8 | C7 | C6 | H7 | 179.4° | 180.0° |
| C7 | C8 | C9 | H10 | 179.8° | 180.0° |
| C9 | C8 | C7 | H8 | 179.0° | 180.0° |
| C8 | C9 | C10 | H11 | 178.1° | 179.7° |
| H1 | C2 | C3 | H3 | 37.8° | 180.0° |
| H1 | C2 | C3 | H4 | 80.5° | 60.0° |
| H2 | C2 | C3 | H3 | 157.4° | 60.0° |
| H2 | C2 | C3 | H4 | 39.1° | 180.0° |
| H3 | C3 | C4 | H5 | 176.4° | 180.0° |
| H3 | C3 | C4 | H6 | 57.1° | 60.0° |
| H4 | C3 | C4 | H5 | 65.3° | 60.0° |
| H4 | C3 | C4 | H6 | 175.4° | 180.0° |
| H7 | C6 | C7 | H8 | 0.6° | 0.0° |
| H8 | C7 | C8 | H9 | 1.0° | 0.0° |
| H9 | C8 | C9 | H10 | 0.2° | 0.0° |
| H10 | C9 | C10 | H11 | 1.9° | 0.1° |
| H12 | N1 | O2 | H13 | 177.8° | 0.0° |
