NDM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CN9 | N9 | sing | 1.45Å | 1.49Å | |
| CN9 | HN91 | sing | 1.09Å | 1.10Å | |
| CN9 | HN92 | sing | 1.09Å | 1.10Å | |
| CN9 | HN93 | sing | 1.09Å | 1.10Å | |
| N9 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.48Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.36Å | 1.39Å | |
| C4 | C5 | doub | 1.35Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.47Å | 1.35Å | |
| C2 | N2 | sing | 1.47Å | 1.35Å | |
| C2 | N1 | sing | 1.49Å | 1.41Å | |
| C2 | H22 | sing | 1.10Å | 1.12Å | |
| N2 | HN21 | sing | 0.99Å | 1.00Å | |
| N2 | HN22 | sing | 0.99Å | 1.00Å | |
| N1 | C6 | sing | 1.48Å | 1.46Å | |
| N1 | HN11 | sing | 1.02Å | 1.00Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| C6 | C5 | sing | 1.50Å | 1.39Å | |
| C6 | H66 | sing | 1.09Å | 1.11Å | |
| C5 | N7 | sing | 1.38Å | 1.39Å | Aromatic |
| N7 | CN7 | sing | 1.45Å | 1.44Å | |
| N7 | C8 | doub | 1.48Å | 1.46Å | Aromatic |
| CN7 | HN71 | sing | 1.09Å | 1.10Å | |
| CN7 | HN72 | sing | 1.09Å | 1.10Å | |
| CN7 | HN73 | sing | 1.09Å | 1.10Å | |
| C8 | HC81 | sing | 1.09Å | 1.10Å | |
| HN1 | N3 | sing | 1.01Å | 1.00Å | |
| HO1 | O6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | CN9 | HN91 | 109.5° | 110.1° |
| N9 | CN9 | HN92 | 109.5° | 110.2° |
| N9 | CN9 | HN93 | 109.5° | 110.2° |
| CN9 | N9 | C4 | 122.8° | 126.7° |
| CN9 | N9 | C8 | 129.9° | 124.8° |
| HN91 | CN9 | HN92 | 109.5° | 108.8° |
| HN91 | CN9 | HN93 | 109.5° | 108.8° |
| HN92 | CN9 | HN93 | 109.5° | 108.6° |
| C4 | N9 | C8 | 107.2° | 108.4° |
| N9 | C4 | N3 | 120.6° | 127.3° |
| N9 | C4 | C5 | 107.7° | 110.3° |
| N9 | C8 | N7 | 111.8° | 102.4° |
| N9 | C8 | HC81 | 108.2° | 110.3° |
| N3 | C4 | C5 | 131.7° | 122.4° |
| C4 | N3 | C2 | 109.2° | 118.3° |
| C4 | N3 | HN1 | 109.6° | 120.2° |
| C4 | C5 | C6 | 119.4° | 123.1° |
| C4 | C5 | N7 | 112.3° | 110.5° |
| N3 | C2 | N2 | 118.1° | 118.2° |
| N3 | C2 | N1 | 123.6° | 116.7° |
| N3 | C2 | H22 | 65.3° | 104.6° |
| C2 | N3 | HN1 | 109.6° | 121.1° |
| N2 | C2 | N1 | 118.2° | 106.1° |
| N2 | C2 | H22 | 157.4° | 104.3° |
| C2 | N2 | HN21 | 109.5° | 117.5° |
| C2 | N2 | HN22 | 109.5° | 117.5° |
| N1 | C2 | H22 | 63.6° | 105.4° |
| C2 | N1 | C6 | 125.3° | 112.6° |
| C2 | N1 | HN11 | 104.5° | 109.6° |
| HN21 | N2 | HN22 | 109.5° | 123.6° |
| C6 | N1 | HN11 | 104.5° | 109.6° |
| N1 | C6 | O6 | 124.1° | 111.8° |
| N1 | C6 | C5 | 110.8° | 112.9° |
| N1 | C6 | H66 | 114.9° | 107.2° |
| O6 | C6 | C5 | 124.4° | 107.9° |
| O6 | C6 | H66 | 52.0° | 107.2° |
| C6 | O6 | HO1 | 109.5° | 106.4° |
| C5 | C6 | H66 | 113.4° | 109.6° |
| C6 | C5 | N7 | 128.3° | 126.3° |
| C5 | N7 | CN7 | 128.9° | 127.0° |
| C5 | N7 | C8 | 101.0° | 108.3° |
| CN7 | N7 | C8 | 128.0° | 124.7° |
| N7 | CN7 | HN71 | 109.5° | 108.1° |
| N7 | CN7 | HN72 | 109.5° | 108.2° |
| N7 | CN7 | HN73 | 109.5° | 108.2° |
| N7 | C8 | HC81 | 108.2° | 110.3° |
| HN71 | CN7 | HN72 | 109.5° | 110.8° |
| HN71 | CN7 | HN73 | 109.5° | 110.7° |
| HN72 | CN7 | HN73 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | CN9 | HN91 | HN92 | 120.0° | 120.9° |
| N9 | CN9 | HN91 | HN93 | 120.0° | 120.9° |
| N9 | CN9 | HN92 | HN93 | 120.0° | 120.9° |
| CN9 | N9 | C4 | C8 | 177.4° | 179.8° |
| CN9 | N9 | C4 | N3 | 3.8° | 0.5° |
| CN9 | N9 | C4 | C5 | 176.5° | 179.5° |
| CN9 | N9 | C8 | N7 | 176.1° | 179.6° |
| CN9 | N9 | C8 | HC81 | 57.1° | 62.2° |
| HN91 | CN9 | HN92 | HN93 | 120.0° | 118.3° |
| HN91 | CN9 | N9 | C4 | 158.5° | 149.3° |
| HN91 | CN9 | N9 | C8 | 24.7° | 30.5° |
| HN92 | CN9 | N9 | C4 | 81.5° | 90.7° |
| HN92 | CN9 | N9 | C8 | 95.3° | 89.5° |
| HN93 | CN9 | N9 | C4 | 38.5° | 29.2° |
| HN93 | CN9 | N9 | C8 | 144.7° | 150.6° |
| N9 | C4 | N3 | C5 | 179.6° | 178.8° |
| N9 | C4 | N3 | C2 | 179.4° | 177.2° |
| N9 | C4 | C5 | C6 | 179.7° | 179.7° |
| N9 | C4 | C5 | N7 | 0.5° | 0.4° |
| C4 | N9 | C8 | N7 | 1.1° | 0.2° |
| C4 | N9 | C8 | HC81 | 120.1° | 117.6° |
| N9 | C4 | N3 | HN1 | 59.4° | 4.6° |
| C8 | N9 | C4 | N3 | 178.7° | 179.3° |
| C8 | N9 | C4 | C5 | 0.9° | 0.3° |
| N9 | C8 | N7 | C5 | 0.8° | 0.0° |
| N9 | C8 | N7 | CN7 | 165.2° | 179.9° |
| N9 | C8 | N7 | HC81 | 119.1° | 117.4° |
| C4 | N3 | C2 | HN1 | 120.0° | 172.5° |
| C4 | N3 | C2 | N2 | 178.9° | 152.9° |
| C4 | N3 | C2 | N1 | 0.5° | 24.3° |
| C4 | N3 | C2 | H22 | 26.0° | 91.7° |
| N3 | C4 | C5 | C6 | 0.1° | 1.3° |
| N3 | C4 | C5 | N7 | 179.1° | 179.4° |
| C5 | C4 | N3 | C2 | 1.0° | 1.7° |
| C4 | C5 | C6 | N1 | 1.1° | 18.0° |
| C4 | C5 | C6 | O6 | 169.1° | 106.0° |
| C4 | C5 | C6 | N7 | 179.1° | 179.2° |
| C4 | C5 | C6 | H66 | 132.1° | 137.5° |
| C4 | C5 | N7 | CN7 | 164.4° | 179.6° |
| C4 | C5 | N7 | C8 | 0.2° | 0.2° |
| C5 | C4 | N3 | HN1 | 121.0° | 174.3° |
| N3 | C2 | N2 | N1 | 178.5° | 133.3° |
| N3 | C2 | N2 | H22 | 92.9° | 115.6° |
| N3 | C2 | N1 | H22 | 27.0° | 115.6° |
| N3 | C2 | N2 | HN21 | 140.3° | 153.9° |
| N3 | C2 | N2 | HN22 | 99.7° | 39.6° |
| N3 | C2 | N1 | C6 | 0.8° | 42.7° |
| N3 | C2 | N1 | HN11 | 119.2° | 164.9° |
| N2 | C2 | N1 | H22 | 154.6° | 110.3° |
| C2 | N2 | HN21 | HN22 | 120.0° | 165.6° |
| N2 | C2 | N1 | C6 | 177.6° | 176.8° |
| N2 | C2 | N1 | HN11 | 62.4° | 61.0° |
| N2 | C2 | N3 | HN1 | 61.1° | 34.6° |
| N1 | C2 | N2 | HN21 | 41.2° | 20.6° |
| N1 | C2 | N2 | HN22 | 78.8° | 172.9° |
| C2 | N1 | C6 | HN11 | 120.0° | 122.2° |
| C2 | N1 | C6 | O6 | 168.7° | 83.7° |
| C2 | N1 | C6 | C5 | 1.6° | 38.2° |
| C2 | N1 | C6 | H66 | 131.7° | 159.0° |
| N1 | C2 | N3 | HN1 | 120.5° | 163.1° |
| H22 | C2 | N2 | HN21 | 47.4° | 90.5° |
| H22 | C2 | N2 | HN22 | 167.4° | 76.0° |
| H22 | C2 | N1 | C6 | 27.7° | 72.9° |
| H22 | C2 | N1 | HN11 | 92.3° | 49.3° |
| H22 | C2 | N3 | HN1 | 94.0° | 80.9° |
| N1 | C6 | O6 | C5 | 168.9° | 124.7° |
| N1 | C6 | O6 | H66 | 96.7° | 117.2° |
| N1 | C6 | C5 | H66 | 130.9° | 119.5° |
| N1 | C6 | C5 | N7 | 179.8° | 161.2° |
| N1 | C6 | O6 | HO1 | 148.9° | 49.8° |
| HN11 | N1 | C6 | O6 | 71.3° | 38.5° |
| HN11 | N1 | C6 | C5 | 118.4° | 160.4° |
| HN11 | N1 | C6 | H66 | 11.7° | 78.7° |
| O6 | C6 | C5 | H66 | 58.9° | 116.5° |
| O6 | C6 | C5 | N7 | 10.0° | 74.8° |
| C6 | C5 | N7 | CN7 | 14.7° | 0.4° |
| C6 | C5 | N7 | C8 | 179.0° | 179.5° |
| C5 | C6 | O6 | HO1 | 42.1° | 174.5° |
| H66 | C6 | C5 | N7 | 48.8° | 41.7° |
| H66 | C6 | O6 | HO1 | 52.2° | 67.4° |
| C5 | N7 | CN7 | C8 | 160.3° | 179.9° |
| C5 | N7 | CN7 | HN71 | 80.3° | 115.1° |
| C5 | N7 | CN7 | HN72 | 39.7° | 4.9° |
| C5 | N7 | CN7 | HN73 | 159.7° | 124.9° |
| C5 | N7 | C8 | HC81 | 119.8° | 117.4° |
| N7 | CN7 | HN71 | HN72 | 120.0° | 118.4° |
| N7 | CN7 | HN71 | HN73 | 120.0° | 118.4° |
| N7 | CN7 | HN72 | HN73 | 120.0° | 118.4° |
| CN7 | N7 | C8 | HC81 | 75.7° | 62.7° |
| C8 | N7 | CN7 | HN71 | 80.0° | 65.0° |
| C8 | N7 | CN7 | HN72 | 160.0° | 175.0° |
| C8 | N7 | CN7 | HN73 | 40.0° | 55.0° |
| HN71 | CN7 | HN72 | HN73 | 120.0° | 123.2° |
