A7N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C3 | sing | 1.36Å | 1.37Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.51Å | |
| N1 | C9 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 1.01Å | 1.00Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O1 | 107.3° | 109.5° |
| C1 | C2 | H9 | 110.0° | 109.5° |
| C1 | C2 | H10 | 110.0° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | O1 | C3 | 118.0° | 117.0° |
| O1 | C2 | H9 | 110.0° | 109.5° |
| O1 | C2 | H10 | 110.0° | 109.5° |
| O1 | C3 | C4 | 120.1° | 120.0° |
| O1 | C3 | C8 | 120.4° | 120.1° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C4 | C3 | C8 | 119.5° | 119.9° |
| C3 | C4 | H7 | 119.9° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.1° |
| C5 | C4 | H7 | 119.9° | 120.1° |
| C4 | C5 | H8 | 119.4° | 120.0° |
| C3 | C8 | C7 | 120.0° | 120.0° |
| C3 | C8 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 117.9° | 120.1° |
| C5 | C6 | C9 | 120.8° | 120.0° |
| C6 | C5 | H8 | 119.4° | 119.9° |
| C8 | C7 | C6 | 121.2° | 120.1° |
| C7 | C8 | H5 | 120.0° | 120.0° |
| C8 | C7 | H6 | 119.4° | 120.0° |
| C7 | C6 | C9 | 121.3° | 119.9° |
| C6 | C7 | H6 | 119.4° | 119.9° |
| C6 | C9 | N1 | 110.5° | 109.5° |
| C6 | C9 | C10 | 113.8° | 109.5° |
| C6 | C9 | H4 | 107.9° | 109.5° |
| N1 | C9 | C10 | 108.8° | 109.5° |
| N1 | C9 | H4 | 108.0° | 109.5° |
| C9 | N1 | H14 | 109.5° | 111.0° |
| C9 | N1 | H15 | 109.4° | 111.0° |
| C9 | C10 | H1 | 109.5° | 109.5° |
| C9 | C10 | H2 | 109.5° | 109.5° |
| C9 | C10 | H3 | 109.4° | 109.5° |
| C10 | C9 | H4 | 107.7° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | N1 | H15 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O1 | H9 | 119.7° | 120.0° |
| C1 | C2 | O1 | H10 | 119.7° | 120.0° |
| C1 | C2 | O1 | C3 | 167.5° | 180.0° |
| C1 | C2 | H9 | H10 | 121.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | O1 | C3 | C4 | 0.7° | 180.0° |
| C2 | O1 | C3 | C8 | 178.8° | 0.5° |
| O1 | C2 | H9 | H10 | 121.0° | 120.0° |
| O1 | C2 | C1 | H11 | 180.0° | 60.0° |
| O1 | C2 | C1 | H12 | 60.0° | 60.0° |
| O1 | C2 | C1 | H13 | 60.0° | 180.0° |
| O1 | C3 | C4 | C8 | 179.5° | 179.5° |
| O1 | C3 | C4 | C5 | 179.7° | 180.0° |
| O1 | C3 | C8 | C7 | 179.7° | 179.5° |
| O1 | C3 | C8 | H5 | 0.3° | 0.3° |
| O1 | C3 | C4 | H7 | 0.4° | 0.6° |
| C3 | O1 | C2 | H9 | 72.9° | 60.0° |
| C3 | O1 | C2 | H10 | 47.8° | 60.0° |
| C3 | C4 | C5 | H7 | 180.0° | 179.4° |
| C3 | C4 | C5 | C6 | 0.1° | 0.7° |
| C4 | C3 | C8 | C7 | 0.2° | 0.0° |
| C4 | C3 | C8 | H5 | 179.8° | 179.7° |
| C3 | C4 | C5 | H8 | 179.9° | 180.0° |
| C5 | C4 | C3 | C8 | 0.2° | 0.5° |
| C4 | C5 | C6 | H8 | 180.0° | 179.3° |
| C4 | C5 | C6 | C7 | 0.1° | 0.5° |
| C4 | C5 | C6 | C9 | 179.9° | 179.5° |
| C3 | C8 | C7 | H5 | 180.0° | 179.8° |
| C3 | C8 | C7 | C6 | 0.1° | 0.3° |
| C3 | C8 | C7 | H6 | 179.8° | 179.8° |
| C8 | C3 | C4 | H7 | 179.8° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | C9 | 180.0° | 179.9° |
| C5 | C6 | C9 | N1 | 89.7° | 140.0° |
| C5 | C6 | C9 | C10 | 147.5° | 100.0° |
| C5 | C6 | C9 | H4 | 28.1° | 19.9° |
| C5 | C6 | C7 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4 | H7 | 179.9° | 179.8° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C8 | C7 | C6 | C9 | 179.9° | 180.0° |
| C7 | C6 | C9 | N1 | 90.3° | 40.0° |
| C7 | C6 | C9 | C10 | 32.4° | 80.0° |
| C7 | C6 | C9 | H4 | 151.8° | 160.0° |
| C6 | C7 | C8 | H5 | 179.9° | 180.0° |
| C7 | C6 | C5 | H8 | 179.9° | 179.7° |
| C6 | C9 | N1 | C10 | 125.6° | 120.0° |
| C6 | C9 | N1 | H4 | 117.8° | 120.1° |
| C6 | C9 | C10 | H4 | 119.5° | 120.0° |
| C6 | C9 | C10 | H1 | 180.0° | 60.0° |
| C6 | C9 | C10 | H2 | 60.0° | 180.0° |
| C6 | C9 | C10 | H3 | 60.0° | 60.0° |
| C9 | C6 | C7 | H6 | 0.1° | 0.1° |
| C9 | C6 | C5 | H8 | 0.1° | 0.2° |
| C6 | C9 | N1 | H14 | 180.0° | 56.1° |
| C6 | C9 | N1 | H15 | 60.0° | 180.0° |
| N1 | C9 | C10 | H4 | 116.8° | 120.0° |
| N1 | C9 | C10 | H1 | 56.3° | 60.0° |
| N1 | C9 | C10 | H2 | 176.3° | 60.0° |
| N1 | C9 | C10 | H3 | 63.7° | 180.0° |
| C9 | N1 | H14 | H15 | 120.0° | 123.9° |
| C9 | C10 | H1 | H2 | 120.0° | 120.0° |
| C9 | C10 | H1 | H3 | 120.0° | 120.1° |
| C9 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C9 | N1 | H14 | 54.4° | 176.1° |
| C10 | C9 | N1 | H15 | 65.6° | 60.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H1 | C10 | C9 | H4 | 60.5° | 180.0° |
| H2 | C10 | C9 | H4 | 59.5° | 60.0° |
| H3 | C10 | C9 | H4 | 179.5° | 60.0° |
| H4 | C9 | N1 | H14 | 62.2° | 64.0° |
| H4 | C9 | N1 | H15 | 177.8° | 59.9° |
| H5 | C8 | C7 | H6 | 0.2° | 0.0° |
| H7 | C4 | C5 | H8 | 0.1° | 0.6° |
| H9 | C2 | C1 | H11 | 60.4° | 60.0° |
| H9 | C2 | C1 | H12 | 59.7° | NaN° |
| H9 | C2 | C1 | H13 | 179.6° | 60.0° |
| H10 | C2 | C1 | H11 | 60.3° | 180.0° |
| H10 | C2 | C1 | H12 | 179.6° | 60.0° |
| H10 | C2 | C1 | H13 | 59.7° | 60.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
