A1EMK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C5 | doub | 1.21Å | 0.00Å | |
| N3 | C4 | sing | 1.37Å | 0.00Å | |
| C5 | O2 | sing | 1.34Å | 0.00Å | |
| C5 | C1 | sing | 1.51Å | 0.00Å | |
| C2 | N1 | sing | 1.46Å | 0.00Å | |
| C2 | C1 | sing | 1.53Å | 0.00Å | |
| N1 | C4 | doub | 1.29Å | 0.00Å | |
| C1 | C3 | sing | 1.54Å | 0.00Å | |
| C3 | N2 | sing | 1.47Å | 0.00Å | |
| C4 | N2 | sing | 1.37Å | 0.00Å | |
| N3 | H3 | sing | 0.97Å | 0.00Å | |
| N3 | H4 | sing | 0.97Å | 0.00Å | |
| C1 | H7 | sing | 1.09Å | 0.00Å | |
| C2 | H8 | sing | 1.09Å | 0.00Å | |
| C2 | H9 | sing | 1.09Å | 0.00Å | |
| C3 | H10 | sing | 1.09Å | 0.00Å | |
| C3 | H11 | sing | 1.09Å | 0.00Å | |
| N2 | H12 | sing | 0.97Å | 0.00Å | |
| O2 | H14 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C5 | O2 | 90.0° | 120.0° |
| O1 | C5 | C1 | 90.0° | 120.0° |
| N3 | C4 | N1 | 90.0° | 118.9° |
| N3 | C4 | N2 | 90.0° | 118.9° |
| C4 | N3 | H3 | 90.0° | 120.0° |
| C4 | N3 | H4 | 90.0° | 120.0° |
| O2 | C5 | C1 | 90.0° | 120.0° |
| C5 | O2 | H14 | 90.0° | 117.0° |
| C5 | C1 | C2 | 90.0° | 109.6° |
| C5 | C1 | C3 | 90.0° | 109.6° |
| C5 | C1 | H7 | 90.0° | 109.7° |
| N1 | C2 | C1 | 90.0° | 110.6° |
| C2 | N1 | C4 | 90.0° | 123.8° |
| N1 | C2 | H8 | 90.0° | 109.2° |
| N1 | C2 | H9 | 90.0° | 109.2° |
| C2 | C1 | C3 | 90.0° | 108.4° |
| C2 | C1 | H7 | 90.0° | 109.8° |
| C1 | C2 | H8 | 90.0° | 109.3° |
| C1 | C2 | H9 | 90.0° | 109.2° |
| N1 | C4 | N2 | 90.0° | 122.2° |
| C1 | C3 | N2 | 90.0° | 107.4° |
| C3 | C1 | H7 | 90.0° | 109.7° |
| C1 | C3 | H10 | 90.0° | 109.9° |
| C1 | C3 | H11 | 90.0° | 109.9° |
| C3 | N2 | C4 | 90.0° | 118.7° |
| N2 | C3 | H10 | 90.0° | 109.9° |
| N2 | C3 | H11 | 90.0° | 109.9° |
| C3 | N2 | H12 | 90.0° | 120.7° |
| C4 | N2 | H12 | 90.0° | 120.6° |
| H3 | N3 | H4 | 90.0° | 120.0° |
| H8 | C2 | H9 | 90.0° | 109.3° |
| H10 | C3 | H11 | 90.0° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C5 | O2 | C1 | 90.0° | 179.9° |
| O1 | C5 | C1 | C2 | 90.0° | 119.0° |
| O1 | C5 | C1 | C3 | 90.0° | 0.1° |
| O1 | C5 | C1 | H7 | 90.0° | 120.4° |
| O1 | C5 | O2 | H14 | 90.0° | 0.0° |
| N3 | C4 | N1 | C2 | 90.0° | 179.0° |
| N3 | C4 | N1 | N2 | 90.0° | 179.9° |
| N3 | C4 | N2 | C3 | 90.0° | 167.1° |
| C4 | N3 | H3 | H4 | 90.0° | 180.0° |
| N3 | C4 | N2 | H12 | 90.0° | 12.9° |
| O2 | C5 | C1 | C2 | 90.0° | 61.1° |
| O2 | C5 | C1 | C3 | 90.0° | 180.0° |
| O2 | C5 | C1 | H7 | 90.0° | 59.5° |
| C5 | C1 | C2 | N1 | 90.0° | 169.1° |
| C5 | C1 | C2 | C3 | 90.0° | 119.7° |
| C5 | C1 | C2 | H7 | 90.0° | 120.5° |
| C5 | C1 | C3 | H7 | 90.0° | 120.5° |
| C5 | C1 | C3 | N2 | 90.0° | 179.1° |
| C5 | C1 | C2 | H8 | 90.0° | 48.8° |
| C5 | C1 | C2 | H9 | 90.0° | 70.7° |
| C5 | C1 | C3 | H10 | 90.0° | 59.6° |
| C5 | C1 | C3 | H11 | 90.0° | 61.5° |
| C1 | C5 | O2 | H14 | 90.0° | 180.0° |
| N1 | C2 | C1 | H8 | 90.0° | 120.3° |
| N1 | C2 | C1 | H9 | 90.0° | 120.2° |
| N1 | C2 | C1 | C3 | 90.0° | 49.4° |
| C2 | N1 | C4 | N2 | 90.0° | 0.9° |
| N1 | C2 | C1 | H7 | 90.0° | 70.4° |
| N1 | C2 | H8 | H9 | 90.0° | 119.5° |
| C1 | C2 | N1 | C4 | 90.0° | 20.8° |
| C2 | C1 | C3 | H7 | 90.0° | 119.9° |
| C2 | C1 | C3 | N2 | 90.0° | 59.4° |
| C1 | C2 | H8 | H9 | 90.0° | 119.5° |
| C2 | C1 | C3 | H10 | 90.0° | 60.0° |
| C2 | C1 | C3 | H11 | 90.0° | 178.9° |
| N1 | C4 | N2 | C3 | 90.0° | 12.9° |
| N1 | C4 | N3 | H3 | 90.0° | 0.1° |
| N1 | C4 | N3 | H4 | 90.0° | 180.0° |
| C4 | N1 | C2 | H8 | 90.0° | 99.5° |
| C4 | N1 | C2 | H9 | 90.0° | 141.0° |
| N1 | C4 | N2 | H12 | 90.0° | 167.2° |
| C1 | C3 | N2 | H10 | 90.0° | 119.5° |
| C1 | C3 | N2 | H11 | 90.0° | 119.4° |
| C1 | C3 | N2 | C4 | 90.0° | 42.3° |
| C3 | C1 | C2 | H8 | 90.0° | 70.9° |
| C3 | C1 | C2 | H9 | 90.0° | 169.7° |
| C1 | C3 | H10 | H11 | 90.0° | 121.0° |
| C1 | C3 | N2 | H12 | 90.0° | 137.7° |
| C3 | N2 | C4 | H12 | 90.0° | 180.0° |
| N2 | C3 | C1 | H7 | 90.0° | 60.4° |
| N2 | C3 | H10 | H11 | 90.0° | 121.0° |
| N2 | C4 | N3 | H3 | 90.0° | 180.0° |
| N2 | C4 | N3 | H4 | 90.0° | 0.0° |
| C4 | N2 | C3 | H10 | 90.0° | 77.2° |
| C4 | N2 | C3 | H11 | 90.0° | 161.8° |
| H7 | C1 | C2 | H8 | 90.0° | 169.4° |
| H7 | C1 | C2 | H9 | 90.0° | 49.9° |
| H7 | C1 | C3 | H10 | 90.0° | 179.9° |
| H7 | C1 | C3 | H11 | 90.0° | 59.0° |
| H10 | C3 | N2 | H12 | 90.0° | 102.8° |
| H11 | C3 | N2 | H12 | 90.0° | 18.3° |






