A1EMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.32Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | C2 | sing | 1.46Å | 1.50Å | |
| S1 | C2 | sing | 1.76Å | 1.76Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.73Å | Aromatic |
| N2 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.48Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C11 | sing | 1.49Å | 1.45Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 122.6° | 120.0° |
| N1 | C1 | C2 | 116.3° | 120.0° |
| C1 | N1 | H8 | 120.0° | 120.0° |
| C1 | N1 | H9 | 120.0° | 120.0° |
| O1 | C1 | C2 | 121.0° | 120.0° |
| C1 | C2 | S1 | 120.6° | 124.9° |
| C1 | C2 | C3 | 128.7° | 124.9° |
| C2 | S1 | C5 | 89.2° | 91.5° |
| S1 | C2 | C3 | 110.6° | 110.1° |
| S1 | C5 | N2 | 130.4° | 141.1° |
| S1 | C5 | C4 | 116.0° | 109.8° |
| C5 | N2 | C6 | 106.4° | 110.3° |
| N2 | C5 | C4 | 113.6° | 109.1° |
| C5 | N2 | H10 | 126.8° | 124.9° |
| N2 | C6 | C7 | 129.4° | 132.8° |
| N2 | C6 | C11 | 109.0° | 108.0° |
| C6 | N2 | H10 | 126.8° | 124.8° |
| C2 | C3 | C4 | 109.4° | 115.1° |
| C2 | C3 | H3 | 125.3° | 122.4° |
| C5 | C4 | C11 | 104.6° | 106.1° |
| C5 | C4 | C3 | 111.5° | 113.5° |
| C6 | C7 | C8 | 117.8° | 119.9° |
| C7 | C6 | C11 | 121.6° | 119.2° |
| C6 | C7 | H5 | 121.1° | 120.0° |
| C7 | C8 | C9 | 121.6° | 120.6° |
| C8 | C7 | H5 | 121.1° | 120.0° |
| C7 | C8 | H6 | 119.2° | 119.7° |
| C6 | C11 | C4 | 106.5° | 106.4° |
| C6 | C11 | C10 | 119.0° | 120.5° |
| C8 | C9 | C10 | 121.2° | 120.2° |
| C9 | C8 | H6 | 119.2° | 119.7° |
| C8 | C9 | H7 | 119.4° | 119.9° |
| C11 | C4 | C3 | 143.9° | 140.3° |
| C4 | C11 | C10 | 134.5° | 133.1° |
| C4 | C3 | H3 | 125.3° | 122.5° |
| C11 | C10 | C9 | 118.8° | 119.5° |
| C11 | C10 | H1 | 120.6° | 120.3° |
| C9 | C10 | H1 | 120.6° | 120.2° |
| C10 | C9 | H7 | 119.4° | 119.9° |
| H8 | N1 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | C2 | 179.8° | 180.0° |
| N1 | C1 | C2 | S1 | 1.8° | 0.0° |
| N1 | C1 | C2 | C3 | 178.6° | 180.0° |
| C1 | N1 | H8 | H9 | 180.0° | 180.0° |
| O1 | C1 | C2 | S1 | 178.0° | 179.9° |
| O1 | C1 | C2 | C3 | 1.5° | 0.0° |
| O1 | C1 | N1 | H8 | 0.0° | 0.0° |
| O1 | C1 | N1 | H9 | 180.0° | 179.9° |
| C1 | C2 | S1 | C3 | 179.6° | 180.0° |
| C1 | C2 | S1 | C5 | 163.4° | 180.0° |
| C1 | C2 | C3 | C4 | 160.8° | 180.0° |
| C1 | C2 | C3 | H3 | 19.2° | 0.1° |
| C2 | C1 | N1 | H8 | 179.8° | 180.0° |
| C2 | C1 | N1 | H9 | 0.2° | 0.0° |
| C2 | S1 | C5 | N2 | 170.0° | 180.0° |
| C2 | S1 | C5 | C4 | 10.2° | 0.0° |
| S1 | C2 | C3 | C4 | 18.8° | 0.1° |
| S1 | C2 | C3 | H3 | 161.2° | 180.0° |
| S1 | C5 | N2 | C4 | 179.9° | 180.0° |
| S1 | C5 | N2 | C6 | 179.1° | 180.0° |
| C5 | S1 | C2 | C3 | 16.2° | 0.0° |
| S1 | C5 | C4 | C11 | 179.3° | 180.0° |
| S1 | C5 | C4 | C3 | 0.8° | 0.0° |
| S1 | C5 | N2 | H10 | 0.9° | 0.0° |
| C5 | N2 | C6 | H10 | 180.0° | 180.0° |
| C5 | N2 | C6 | C7 | 179.2° | 179.9° |
| C5 | N2 | C6 | C11 | 0.7° | 0.0° |
| N2 | C5 | C4 | C11 | 0.9° | 0.0° |
| N2 | C5 | C4 | C3 | 179.3° | 180.0° |
| C6 | N2 | C5 | C4 | 1.0° | 0.0° |
| N2 | C6 | C7 | C11 | 179.9° | 179.9° |
| N2 | C6 | C7 | C8 | 178.8° | 179.9° |
| N2 | C6 | C11 | C4 | 0.2° | 0.0° |
| N2 | C6 | C11 | C10 | 179.8° | 180.0° |
| N2 | C6 | C7 | H5 | 1.2° | 0.2° |
| C2 | C3 | C4 | C5 | 11.5° | 0.1° |
| C2 | C3 | C4 | C11 | 165.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C5 | C4 | C11 | C6 | 0.3° | 0.0° |
| C5 | C4 | C11 | C3 | 177.5° | 179.9° |
| C5 | C4 | C11 | C10 | 179.1° | 180.0° |
| C5 | C4 | C3 | H3 | 168.5° | 180.0° |
| C4 | C5 | N2 | H10 | 178.9° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.1° | 0.2° |
| C7 | C6 | C11 | C4 | 179.7° | 179.9° |
| C7 | C6 | C11 | C10 | 0.2° | 0.1° |
| C6 | C7 | C8 | H6 | 178.9° | 179.9° |
| C7 | C6 | N2 | H10 | 0.8° | 0.1° |
| C8 | C7 | C6 | C11 | 1.2° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.4° |
| C7 | C8 | C9 | H7 | 179.9° | 179.9° |
| C6 | C11 | C4 | C10 | 179.4° | 180.0° |
| C6 | C11 | C4 | C3 | 177.8° | 179.9° |
| C6 | C11 | C10 | C9 | 0.9° | 0.3° |
| C6 | C11 | C10 | H1 | 179.1° | 180.0° |
| C11 | C6 | C7 | H5 | 178.8° | 179.9° |
| C11 | C6 | N2 | H10 | 179.2° | 180.0° |
| C8 | C9 | C10 | C11 | 0.9° | 0.4° |
| C8 | C9 | C10 | H7 | 180.0° | 179.7° |
| C8 | C9 | C10 | H1 | 179.1° | 179.9° |
| C9 | C8 | C7 | H5 | 178.9° | 179.9° |
| C4 | C11 | C10 | C9 | 178.5° | 179.7° |
| C4 | C11 | C10 | H1 | 1.5° | 0.0° |
| C11 | C4 | C3 | H3 | 14.1° | 0.1° |
| C3 | C4 | C11 | C10 | 1.6° | 0.1° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C11 | C10 | C9 | H7 | 179.0° | 179.9° |
| C10 | C9 | C8 | H6 | 179.9° | 179.7° |
| H1 | C10 | C9 | H7 | 1.0° | 0.2° |
| H5 | C7 | C8 | H6 | 1.1° | 0.0° |
| H6 | C8 | C9 | H7 | 0.1° | 0.0° |
