ZME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.51Å | 1.52Å | |
| CAK | CAC | sing | 1.41Å | 1.41Å | Aromatic |
| CAK | CAF | doub | 1.35Å | 1.40Å | Aromatic |
| CAC | CAE | doub | 1.35Å | 1.39Å | Aromatic |
| CAF | N6 | sing | 1.37Å | 1.39Å | Aromatic |
| CAE | N6 | sing | 1.37Å | 1.47Å | Aromatic |
| N6 | C6 | sing | 1.39Å | 1.42Å | |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.50Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.32Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.23Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.22Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| N9 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | CAC | 125.6° | 126.2° |
| CAA | CAK | CAF | 126.4° | 126.3° |
| CAK | CAA | H1 | 109.5° | 109.5° |
| CAK | CAA | H2 | 109.5° | 109.5° |
| CAK | CAA | H3 | 109.5° | 109.5° |
| CAC | CAK | CAF | 108.0° | 107.5° |
| CAK | CAC | CAE | 107.7° | 107.5° |
| CAK | CAC | H5 | 126.2° | 126.3° |
| CAK | CAF | N6 | 110.9° | 108.2° |
| CAK | CAF | H4 | 124.6° | 125.9° |
| CAC | CAE | N6 | 108.8° | 108.2° |
| CAE | CAC | H5 | 126.2° | 126.2° |
| CAC | CAE | H6 | 125.6° | 125.9° |
| CAF | N6 | CAE | 104.6° | 108.6° |
| CAF | N6 | C6 | 130.7° | 125.6° |
| N6 | CAF | H4 | 124.5° | 126.0° |
| CAE | N6 | C6 | 124.7° | 125.7° |
| N6 | CAE | H6 | 125.6° | 125.9° |
| N6 | C6 | N1 | 115.7° | 120.8° |
| N6 | C6 | C5 | 124.8° | 120.8° |
| C6 | N1 | C2 | 120.9° | 121.3° |
| N1 | C6 | C5 | 119.5° | 118.4° |
| N1 | C2 | N3 | 117.8° | 122.5° |
| N1 | C2 | H7 | 121.1° | 118.8° |
| C6 | C5 | N7 | 137.1° | 134.7° |
| C6 | C5 | C4 | 121.3° | 118.2° |
| C2 | N3 | C4 | 119.6° | 120.6° |
| N3 | C2 | H7 | 121.1° | 118.8° |
| N7 | C5 | C4 | 101.5° | 107.1° |
| C5 | N7 | C8 | 105.7° | 109.5° |
| C5 | C4 | N3 | 120.8° | 119.0° |
| C5 | C4 | N9 | 106.1° | 106.0° |
| N7 | C8 | N9 | 104.7° | 110.0° |
| N7 | C8 | H9 | 127.6° | 125.0° |
| N3 | C4 | N9 | 133.1° | 135.0° |
| C4 | N9 | C8 | 122.0° | 107.5° |
| C4 | N9 | H10 | 119.0° | 126.2° |
| N9 | C8 | H9 | 127.7° | 125.0° |
| C8 | N9 | H10 | 119.0° | 126.3° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | CAC | CAF | 179.9° | 179.7° |
| CAA | CAK | CAC | CAE | 179.9° | 180.0° |
| CAA | CAK | CAF | N6 | 179.7° | 180.0° |
| CAK | CAA | H1 | H2 | 120.0° | 120.0° |
| CAK | CAA | H1 | H3 | 120.0° | 120.0° |
| CAK | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAK | CAF | H4 | 0.3° | 0.1° |
| CAA | CAK | CAC | H5 | 0.1° | 0.0° |
| CAK | CAC | CAE | H5 | 180.0° | 180.0° |
| CAC | CAK | CAF | N6 | 0.4° | 0.2° |
| CAK | CAC | CAE | N6 | 0.1° | 0.2° |
| CAC | CAK | CAA | H1 | 90.1° | 90.0° |
| CAC | CAK | CAA | H2 | 149.9° | 150.0° |
| CAC | CAK | CAA | H3 | 29.9° | 30.0° |
| CAC | CAK | CAF | H4 | 179.6° | 179.8° |
| CAK | CAC | CAE | H6 | 179.9° | 180.0° |
| CAF | CAK | CAC | CAE | 0.3° | 0.3° |
| CAK | CAF | N6 | H4 | 180.0° | 179.9° |
| CAK | CAF | N6 | CAE | 0.3° | 0.1° |
| CAK | CAF | N6 | C6 | 178.0° | 180.0° |
| CAF | CAK | CAA | H1 | 90.1° | 89.7° |
| CAF | CAK | CAA | H2 | 29.9° | 30.3° |
| CAF | CAK | CAA | H3 | 149.9° | 150.3° |
| CAF | CAK | CAC | H5 | 179.7° | 179.7° |
| CAC | CAE | N6 | CAF | 0.1° | 0.0° |
| CAC | CAE | N6 | H6 | 180.0° | 179.8° |
| CAC | CAE | N6 | C6 | 178.3° | 179.8° |
| CAF | N6 | CAE | C6 | 178.4° | 179.9° |
| CAF | N6 | C6 | N1 | 155.8° | 34.7° |
| CAF | N6 | C6 | C5 | 22.2° | 145.0° |
| CAF | N6 | CAE | H6 | 179.9° | 179.8° |
| CAE | N6 | C6 | N1 | 22.2° | 145.4° |
| CAE | N6 | C6 | C5 | 159.8° | 34.8° |
| CAE | N6 | CAF | H4 | 179.6° | 180.0° |
| N6 | CAE | CAC | H5 | 179.9° | 179.8° |
| N6 | C6 | N1 | C5 | 178.1° | 179.8° |
| N6 | C6 | N1 | C2 | 179.3° | 179.9° |
| N6 | C6 | C5 | N7 | 2.8° | 0.0° |
| N6 | C6 | C5 | C4 | 179.3° | 179.7° |
| C6 | N6 | CAF | H4 | 2.1° | 0.1° |
| C6 | N6 | CAE | H6 | 1.7° | 0.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | N7 | 179.3° | 179.8° |
| N1 | C6 | C5 | C4 | 1.3° | 0.5° |
| C6 | N1 | C2 | H7 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 1.2° | 0.3° |
| N1 | C2 | N3 | H7 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.7° | 0.0° |
| C6 | C5 | N7 | C4 | 178.2° | 179.7° |
| C6 | C5 | N7 | C8 | 178.2° | 180.0° |
| C6 | C5 | C4 | N3 | 0.4° | 0.6° |
| C6 | C5 | C4 | N9 | 178.7° | 179.6° |
| C2 | N3 | C4 | C5 | 0.7° | 0.3° |
| C2 | N3 | C4 | N9 | 179.4° | 179.9° |
| N7 | C5 | C4 | N3 | 178.9° | 179.7° |
| N7 | C5 | C4 | N9 | 0.1° | 0.1° |
| C5 | N7 | C8 | N9 | 0.1° | 0.6° |
| C5 | N7 | C8 | H9 | 179.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.2° |
| C5 | C4 | N3 | N9 | 178.8° | 179.8° |
| C5 | C4 | N9 | C8 | 0.2° | 0.5° |
| C5 | C4 | N9 | H10 | 179.8° | 179.8° |
| N7 | C8 | N9 | C4 | 0.2° | 0.6° |
| N7 | C8 | N9 | H9 | 180.0° | 179.4° |
| N7 | C8 | N9 | H10 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 178.7° | 179.3° |
| C4 | N3 | C2 | H7 | 179.3° | 180.0° |
| N3 | C4 | N9 | H10 | 1.3° | 0.0° |
| C4 | N9 | C8 | H10 | 180.0° | 179.3° |
| C4 | N9 | C8 | H9 | 179.8° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H5 | CAC | CAE | H6 | 0.1° | 0.0° |
| H9 | C8 | N9 | H10 | 0.2° | 0.6° |
