A7L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C1 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | O | sing | 1.36Å | 1.36Å | |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | N | doub | 1.30Å | 1.28Å | |
| N | N1 | sing | 1.40Å | 1.38Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| N2 | C8 | sing | 1.46Å | 1.47Å | |
| N2 | C7 | sing | 1.35Å | 1.33Å | |
| N1 | C7 | sing | 1.35Å | 1.36Å | |
| C7 | S | doub | 1.71Å | 1.68Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| O | H3 | sing | 0.97Å | 0.95Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C | C1 | 121.1° | 120.4° |
| C | C5 | C4 | 118.8° | 120.2° |
| C | C5 | H2 | 120.6° | 120.0° |
| C5 | C | H | 119.5° | 119.8° |
| C | C1 | O1 | 118.9° | 119.9° |
| C | C1 | C2 | 119.5° | 120.1° |
| C1 | C | H | 119.4° | 119.8° |
| C5 | C4 | O | 117.3° | 120.1° |
| C5 | C4 | C3 | 122.3° | 119.8° |
| C4 | C5 | H2 | 120.6° | 119.9° |
| O1 | C1 | C2 | 121.5° | 119.9° |
| C1 | O1 | H12 | 109.5° | 114.0° |
| C1 | C2 | C3 | 121.2° | 119.8° |
| C1 | C2 | H1 | 119.4° | 120.0° |
| O | C4 | C3 | 120.1° | 120.1° |
| C4 | O | H3 | 109.5° | 114.0° |
| C4 | C3 | C2 | 117.1° | 119.7° |
| C4 | C3 | C6 | 122.4° | 120.1° |
| C2 | C3 | C6 | 120.4° | 120.2° |
| C3 | C2 | H1 | 119.4° | 120.1° |
| C3 | C6 | N | 123.3° | 120.0° |
| C3 | C6 | H4 | 118.3° | 120.0° |
| C6 | N | N1 | 114.7° | 120.0° |
| N | C6 | H4 | 118.3° | 120.0° |
| N | N1 | C7 | 121.4° | 120.1° |
| N | N1 | H5 | 119.3° | 120.0° |
| C9 | C8 | N2 | 114.2° | 109.4° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.4° | 109.5° |
| C8 | C9 | H11 | 109.4° | 109.5° |
| C9 | C8 | H7 | 108.3° | 109.4° |
| C9 | C8 | H8 | 108.3° | 109.4° |
| C8 | N2 | C7 | 124.0° | 120.0° |
| N2 | C8 | H7 | 108.3° | 109.5° |
| N2 | C8 | H8 | 108.3° | 109.5° |
| C8 | N2 | H6 | 118.0° | 120.0° |
| N2 | C7 | N1 | 117.1° | 120.0° |
| N2 | C7 | S | 123.1° | 120.0° |
| C7 | N2 | H6 | 118.0° | 120.0° |
| N1 | C7 | S | 119.7° | 120.0° |
| C7 | N1 | H5 | 119.3° | 120.0° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H9 | C9 | H11 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C | C1 | H | 180.0° | 180.0° |
| C | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C | C1 | O1 | 177.4° | 179.8° |
| C5 | C | C1 | C2 | 0.1° | 0.0° |
| C | C5 | C4 | O | 172.8° | 180.0° |
| C | C5 | C4 | C3 | 1.1° | 0.0° |
| C1 | C | C5 | C4 | 0.0° | 0.0° |
| C | C1 | O1 | C2 | 177.4° | 179.8° |
| C | C1 | C2 | C3 | 1.3° | 0.0° |
| C | C1 | C2 | H1 | 178.7° | 180.0° |
| C1 | C | C5 | H2 | 180.0° | 180.0° |
| C | C1 | O1 | H12 | 180.0° | 90.3° |
| C5 | C4 | O | C3 | 174.1° | 180.0° |
| C5 | C4 | C3 | C2 | 2.3° | 0.0° |
| C5 | C4 | C3 | C6 | 179.0° | 180.0° |
| C4 | C5 | C | H | 180.0° | 180.0° |
| C5 | C4 | O | H3 | 180.0° | 90.0° |
| O1 | C1 | C2 | C3 | 176.1° | 179.7° |
| O1 | C1 | C2 | H1 | 3.9° | 0.3° |
| O1 | C1 | C | H | 2.6° | 0.3° |
| C1 | C2 | C3 | C4 | 2.3° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 179.1° | 180.0° |
| C2 | C1 | C | H | 179.9° | 180.0° |
| C2 | C1 | O1 | H12 | 2.6° | 90.0° |
| O | C4 | C3 | C2 | 171.5° | 180.0° |
| O | C4 | C3 | C6 | 5.2° | 0.0° |
| O | C4 | C5 | H2 | 7.2° | 0.0° |
| C4 | C3 | C2 | C6 | 176.8° | 180.0° |
| C4 | C3 | C6 | N | 167.9° | 0.1° |
| C4 | C3 | C2 | H1 | 177.6° | 180.0° |
| C3 | C4 | C5 | H2 | 178.9° | 179.9° |
| C4 | C3 | C6 | H4 | 12.1° | 180.0° |
| C3 | C4 | O | H3 | 5.9° | 90.0° |
| C2 | C3 | C6 | N | 8.7° | 180.0° |
| C2 | C3 | C6 | H4 | 171.3° | 0.1° |
| C3 | C6 | N | H4 | 180.0° | 179.9° |
| C3 | C6 | N | N1 | 176.9° | 180.0° |
| C6 | C3 | C2 | H1 | 0.8° | 0.1° |
| C6 | N | N1 | C7 | 138.1° | 179.9° |
| C6 | N | N1 | H5 | 41.9° | 0.0° |
| N | N1 | C7 | N2 | 15.9° | 0.0° |
| N | N1 | C7 | H5 | 180.0° | 179.9° |
| N | N1 | C7 | S | 160.3° | 180.0° |
| N1 | N | C6 | H4 | 3.1° | 0.0° |
| C9 | C8 | N2 | H7 | 120.7° | 120.0° |
| C9 | C8 | N2 | H8 | 120.7° | 120.0° |
| C9 | C8 | N2 | C7 | 82.7° | 180.0° |
| C8 | C9 | H9 | H10 | 120.0° | 120.0° |
| C8 | C9 | H9 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H11 | 120.0° | 120.1° |
| C9 | C8 | H7 | H8 | 117.9° | 119.9° |
| C9 | C8 | N2 | H6 | 97.3° | 0.0° |
| C8 | N2 | C7 | H6 | 180.0° | 179.9° |
| C8 | N2 | C7 | N1 | 179.3° | 180.0° |
| C8 | N2 | C7 | S | 4.5° | 0.0° |
| N2 | C8 | C9 | H9 | 180.0° | 60.0° |
| N2 | C8 | C9 | H10 | 60.0° | 180.0° |
| N2 | C8 | C9 | H11 | 60.0° | 60.0° |
| N2 | C8 | H7 | H8 | 117.9° | 120.1° |
| N2 | C7 | N1 | S | 176.3° | 180.0° |
| C7 | N2 | C8 | H7 | 38.0° | 60.0° |
| C7 | N2 | C8 | H8 | 156.6° | 60.0° |
| N2 | C7 | N1 | H5 | 164.1° | 179.9° |
| N1 | C7 | N2 | H6 | 0.7° | 0.0° |
| S | C7 | N1 | H5 | 19.7° | 0.0° |
| S | C7 | N2 | H6 | 175.5° | 180.0° |
| H2 | C5 | C | H | 0.0° | 0.0° |
| H9 | C9 | H10 | H11 | 120.0° | 119.9° |
| H9 | C9 | C8 | H7 | 59.3° | 180.0° |
| H9 | C9 | C8 | H8 | 59.3° | 60.0° |
| H10 | C9 | C8 | H7 | 60.7° | 60.0° |
| H10 | C9 | C8 | H8 | 179.3° | 60.0° |
| H11 | C9 | C8 | H7 | 179.3° | 60.1° |
| H11 | C9 | C8 | H8 | 60.7° | 180.0° |
| H7 | C8 | N2 | H6 | 142.0° | 120.0° |
| H8 | C8 | N2 | H6 | 23.4° | 119.9° |
