HM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.35Å | 1.26Å | |
| C1 | C2 | sing | 1.48Å | 1.48Å | |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.40Å | 1.42Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | O4 | doub | 1.21Å | 1.25Å | |
| C7 | O3 | sing | 1.35Å | 1.27Å | |
| N2 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.30Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | N4 | sing | 1.33Å | 1.44Å | Aromatic |
| C10 | O5 | sing | 1.43Å | 1.36Å | |
| N4 | N3 | doub | 1.29Å | 1.29Å | Aromatic |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O3 | HA | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| O5 | HC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 120.9° | 120.0° |
| O2 | C1 | C2 | 120.1° | 120.0° |
| O1 | C1 | C2 | 118.9° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C1 | C2 | N1 | 115.8° | 119.6° |
| C1 | C2 | C3 | 121.4° | 119.6° |
| N1 | C2 | C3 | 122.7° | 120.8° |
| C2 | N1 | C6 | 121.0° | 121.7° |
| C2 | C3 | C4 | 116.1° | 119.1° |
| C2 | C3 | H3 | 122.0° | 120.4° |
| N1 | C6 | C5 | 120.6° | 120.8° |
| N1 | C6 | C7 | 117.2° | 119.6° |
| C3 | C4 | C5 | 120.5° | 118.4° |
| C3 | C4 | N2 | 121.7° | 120.8° |
| C4 | C3 | H3 | 122.0° | 120.4° |
| C5 | C4 | N2 | 117.8° | 120.8° |
| C4 | C5 | C6 | 119.2° | 119.1° |
| C4 | C5 | H5 | 120.4° | 120.4° |
| C4 | N2 | C8 | 125.9° | 126.8° |
| C4 | N2 | N3 | 124.1° | 126.9° |
| C5 | C6 | C7 | 122.3° | 119.6° |
| C6 | C5 | H5 | 120.4° | 120.4° |
| C6 | C7 | O4 | 119.6° | 120.0° |
| C6 | C7 | O3 | 118.8° | 120.0° |
| O4 | C7 | O3 | 121.5° | 120.0° |
| C7 | O3 | HA | 109.5° | 117.0° |
| C8 | N2 | N3 | 109.9° | 106.3° |
| N2 | C8 | C9 | 106.9° | 106.8° |
| N2 | C8 | H8 | 126.5° | 126.6° |
| N2 | N3 | N4 | 107.2° | 108.0° |
| C8 | C9 | C10 | 126.7° | 125.5° |
| C8 | C9 | N4 | 108.2° | 109.0° |
| C9 | C8 | H8 | 126.6° | 126.7° |
| C10 | C9 | N4 | 125.1° | 125.5° |
| C9 | C10 | O5 | 114.7° | 109.4° |
| C9 | C10 | H101 | 108.1° | 109.5° |
| C9 | C10 | H102 | 108.2° | 109.5° |
| C9 | N4 | N3 | 107.8° | 109.9° |
| O5 | C10 | H101 | 108.2° | 109.5° |
| O5 | C10 | H102 | 108.2° | 109.5° |
| C10 | O5 | HC | 109.5° | 114.0° |
| H101 | C10 | H102 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 178.2° | 179.8° |
| O2 | C1 | C2 | N1 | 177.0° | 180.0° |
| O2 | C1 | C2 | C3 | 0.7° | 0.3° |
| O2 | C1 | O1 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | N1 | 1.2° | 0.2° |
| O1 | C1 | C2 | C3 | 178.9° | 179.5° |
| C1 | C2 | N1 | C3 | 177.7° | 179.7° |
| C1 | C2 | N1 | C6 | 179.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.4° | 180.0° |
| C2 | C1 | O1 | H1 | 178.2° | 179.7° |
| C1 | C2 | C3 | H3 | 0.6° | 0.1° |
| N1 | C2 | C3 | C4 | 1.8° | 0.3° |
| C2 | N1 | C6 | C5 | 0.9° | 0.0° |
| C2 | N1 | C6 | C7 | 179.8° | 180.0° |
| N1 | C2 | C3 | H3 | 178.2° | 179.7° |
| C3 | C2 | N1 | C6 | 1.3° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.9° | 0.0° |
| C2 | C3 | C4 | N2 | 179.1° | 180.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.3° |
| N1 | C6 | C5 | C7 | 179.3° | 180.0° |
| N1 | C6 | C7 | O4 | 171.9° | 180.0° |
| N1 | C6 | C7 | O3 | 6.7° | 0.0° |
| N1 | C6 | C5 | H5 | 179.0° | 180.0° |
| C3 | C4 | C5 | N2 | 177.3° | 180.0° |
| C3 | C4 | C5 | C6 | 1.6° | 0.3° |
| C3 | C4 | N2 | C8 | 9.4° | 180.0° |
| C3 | C4 | N2 | N3 | 174.3° | 0.4° |
| C3 | C4 | C5 | H5 | 178.4° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 179.7° | 179.7° |
| C5 | C4 | N2 | C8 | 167.8° | 0.1° |
| C5 | C4 | N2 | N3 | 8.5° | 179.6° |
| C5 | C4 | C3 | H3 | 178.1° | 180.0° |
| N2 | C4 | C5 | C6 | 178.9° | 179.8° |
| C4 | N2 | C8 | N3 | 176.8° | 179.6° |
| C4 | N2 | C8 | C9 | 178.2° | 179.9° |
| C4 | N2 | N3 | N4 | 178.0° | 179.9° |
| N2 | C4 | C3 | H3 | 0.9° | 0.0° |
| N2 | C4 | C5 | H5 | 1.1° | 0.1° |
| C4 | N2 | C8 | H8 | 1.8° | 0.1° |
| C5 | C6 | C7 | O4 | 7.4° | 0.0° |
| C5 | C6 | C7 | O3 | 174.0° | 180.0° |
| C6 | C7 | O4 | O3 | 178.6° | 180.0° |
| C7 | C6 | C5 | H5 | 0.3° | 0.1° |
| C6 | C7 | O3 | HA | 178.6° | 180.0° |
| O4 | C7 | O3 | HA | 0.0° | 0.0° |
| N2 | C8 | C9 | H8 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 180.0° | 180.0° |
| N2 | C8 | C9 | N4 | 1.1° | 0.0° |
| C8 | N2 | N3 | N4 | 1.2° | 0.5° |
| N3 | N2 | C8 | C9 | 1.4° | 0.3° |
| N2 | N3 | N4 | C9 | 0.5° | 0.5° |
| N3 | N2 | C8 | H8 | 178.6° | 179.8° |
| C8 | C9 | C10 | N4 | 178.8° | 180.0° |
| C8 | C9 | C10 | O5 | 94.2° | 0.0° |
| C8 | C9 | N4 | N3 | 0.4° | 0.3° |
| C8 | C9 | C10 | H101 | 26.6° | 120.0° |
| C8 | C9 | C10 | H102 | 145.1° | 120.0° |
| C9 | C10 | O5 | H101 | 120.7° | 120.0° |
| C9 | C10 | O5 | H102 | 120.8° | 120.0° |
| C10 | C9 | N4 | N3 | 179.4° | 179.7° |
| C10 | C9 | C8 | H8 | 0.0° | 0.1° |
| C9 | C10 | H101 | H102 | 117.6° | 120.0° |
| C9 | C10 | O5 | HC | 180.0° | 180.0° |
| N4 | C9 | C10 | O5 | 84.6° | 180.0° |
| N4 | C9 | C8 | H8 | 178.9° | 179.9° |
| N4 | C9 | C10 | H101 | 154.7° | 60.0° |
| N4 | C9 | C10 | H102 | 36.2° | 60.0° |
| O5 | C10 | H101 | H102 | 117.6° | 120.0° |
| H101 | C10 | O5 | HC | 59.2° | 60.0° |
| H102 | C10 | O5 | HC | 59.3° | 60.0° |
