MI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | O10 | sing | 1.43Å | 1.42Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| O10 | C2 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.36Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.42Å | 1.45Å | Aromatic |
| C6 | C1 | doub | 1.41Å | 1.38Å | Aromatic |
| C7 | N8 | doub | 1.30Å | 1.34Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N8 | N9 | sing | 1.40Å | 1.40Å | Aromatic |
| N9 | C1 | sing | 1.37Å | 1.40Å | Aromatic |
| N9 | HN9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C11 | H111 | 109.5° | 109.4° |
| O10 | C11 | H112 | 109.4° | 109.4° |
| O10 | C11 | H113 | 109.5° | 109.5° |
| C11 | O10 | C2 | 114.5° | 106.8° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.6° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| O10 | C2 | C3 | 125.6° | 120.2° |
| O10 | C2 | C1 | 114.7° | 120.2° |
| C3 | C2 | C1 | 119.7° | 119.6° |
| C2 | C3 | C4 | 119.4° | 120.5° |
| C2 | C3 | H3 | 120.3° | 119.7° |
| C2 | C1 | C6 | 121.6° | 119.6° |
| C2 | C1 | N9 | 131.1° | 133.8° |
| C4 | C3 | H3 | 120.3° | 119.7° |
| C3 | C4 | C5 | 119.0° | 120.7° |
| C3 | C4 | H4 | 120.5° | 119.7° |
| C5 | C4 | H4 | 120.5° | 119.6° |
| C4 | C5 | C6 | 120.9° | 119.9° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C6 | C5 | H5 | 119.6° | 120.1° |
| C5 | C6 | C7 | 133.9° | 133.5° |
| C5 | C6 | C1 | 119.4° | 119.6° |
| C7 | C6 | C1 | 106.8° | 106.9° |
| C6 | C7 | N8 | 109.1° | 108.7° |
| C6 | C7 | H7 | 125.5° | 125.6° |
| C6 | C1 | N9 | 107.3° | 106.6° |
| N8 | C7 | H7 | 125.5° | 125.7° |
| C7 | N8 | N9 | 107.5° | 109.7° |
| N8 | N9 | C1 | 109.4° | 108.1° |
| N8 | N9 | HN9 | 125.3° | 125.9° |
| C1 | N9 | HN9 | 125.3° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C11 | H111 | H112 | 120.0° | 119.9° |
| O10 | C11 | H111 | H113 | 120.0° | 120.0° |
| O10 | C11 | H112 | H113 | 120.0° | 119.9° |
| C11 | O10 | C2 | C3 | 4.8° | 0.0° |
| C11 | O10 | C2 | C1 | 175.8° | 179.8° |
| H111 | C11 | H112 | H113 | 120.0° | 120.1° |
| H111 | C11 | O10 | C2 | 72.3° | 180.0° |
| H112 | C11 | O10 | C2 | 47.7° | 60.0° |
| H113 | C11 | O10 | C2 | 167.7° | 60.0° |
| O10 | C2 | C3 | C1 | 179.4° | 179.8° |
| O10 | C2 | C3 | C4 | 178.4° | 180.0° |
| O10 | C2 | C3 | H3 | 1.7° | 0.0° |
| O10 | C2 | C1 | C6 | 179.3° | 179.7° |
| O10 | C2 | C1 | N9 | 0.7° | 0.6° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| C2 | C3 | C4 | H4 | 178.7° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.5° |
| C3 | C2 | C1 | N9 | 179.8° | 179.6° |
| C1 | C2 | C3 | C4 | 1.0° | 0.2° |
| C1 | C2 | C3 | H3 | 179.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.5° |
| C2 | C1 | C6 | C7 | 179.7° | 179.7° |
| C2 | C1 | C6 | N9 | 180.0° | 179.4° |
| C2 | C1 | N9 | N8 | 178.7° | 179.5° |
| C2 | C1 | N9 | HN9 | 1.3° | 0.6° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | H5 | 179.3° | 179.9° |
| H3 | C3 | C4 | C5 | 178.7° | 180.0° |
| H3 | C3 | C4 | H4 | 1.3° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.1° | 0.2° |
| H4 | C4 | C5 | C6 | 179.3° | 180.0° |
| H4 | C4 | C5 | H5 | 0.7° | 0.1° |
| C5 | C6 | C7 | C1 | 179.9° | 179.8° |
| C5 | C6 | C7 | N8 | 179.3° | 180.0° |
| C5 | C6 | C7 | H7 | 0.7° | 0.0° |
| C5 | C6 | C1 | N9 | 179.6° | 179.8° |
| H5 | C5 | C6 | C7 | 0.0° | 0.0° |
| H5 | C5 | C6 | C1 | 179.8° | 179.8° |
| C6 | C7 | N8 | H7 | 180.0° | 180.0° |
| C6 | C7 | N8 | N9 | 1.6° | 0.0° |
| C7 | C6 | C1 | N9 | 0.3° | 0.3° |
| C1 | C6 | C7 | N8 | 0.8° | 0.2° |
| C1 | C6 | C7 | H7 | 179.2° | 179.8° |
| C6 | C1 | N9 | N8 | 1.3° | 0.3° |
| C6 | C1 | N9 | HN9 | 178.7° | 179.9° |
| C7 | N8 | N9 | C1 | 1.8° | 0.2° |
| C7 | N8 | N9 | HN9 | 178.2° | 180.0° |
| H7 | C7 | N8 | N9 | 178.4° | 180.0° |
| N8 | N9 | C1 | HN9 | 180.0° | 179.8° |
