ZMI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| O | N | sing | 1.21Å | 1.34Å | Aromatic |
| O | C1 | sing | 1.34Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| N | C3 | doub | 1.31Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.47Å | |
| C1 | C2 | doub | 1.35Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | F | sing | 1.35Å | 1.34Å | |
| C5 | N2 | sing | 1.40Å | 1.46Å | |
| N1 | N2 | sing | 1.40Å | 1.41Å | |
| N1 | C4 | sing | 1.35Å | 1.41Å | |
| C3 | C2 | sing | 1.42Å | 1.45Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.49Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 120.0° | 120.2° |
| C8 | C7 | C6 | 119.8° | 120.2° |
| C8 | C7 | H3 | 120.1° | 119.9° |
| C7 | C8 | H4 | 120.0° | 120.0° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C9 | C8 | H4 | 120.0° | 119.9° |
| C8 | C9 | H9 | 120.1° | 120.0° |
| C7 | C6 | C5 | 121.0° | 119.9° |
| C7 | C6 | H2 | 119.5° | 120.1° |
| C6 | C7 | H3 | 120.1° | 119.9° |
| N | O | C1 | 109.6° | 111.8° |
| O | N | C3 | 108.3° | 111.5° |
| O | C1 | C | 116.7° | 126.6° |
| O | C1 | C2 | 109.0° | 106.7° |
| C9 | C10 | C5 | 121.0° | 119.9° |
| C9 | C10 | F | 120.0° | 120.1° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| N | C3 | C2 | 108.9° | 106.1° |
| N | C3 | C4 | 124.9° | 127.0° |
| C6 | C5 | C10 | 118.3° | 119.8° |
| C6 | C5 | N2 | 123.6° | 120.0° |
| C5 | C6 | H2 | 119.5° | 120.0° |
| C | C1 | C2 | 134.3° | 126.7° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.4° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C2 | C3 | 104.2° | 103.9° |
| C1 | C2 | H8 | 127.9° | 128.0° |
| C5 | C10 | F | 119.1° | 120.0° |
| C10 | C5 | N2 | 118.2° | 120.1° |
| C5 | N2 | N1 | 116.7° | 120.0° |
| C5 | N2 | H10 | 107.7° | 120.0° |
| N2 | N1 | C4 | 125.0° | 120.0° |
| N2 | N1 | H1 | 117.5° | 120.0° |
| N1 | N2 | H10 | 107.6° | 120.0° |
| N1 | C4 | C3 | 114.3° | 120.0° |
| N1 | C4 | O1 | 123.0° | 120.0° |
| C4 | N1 | H1 | 117.5° | 120.0° |
| C2 | C3 | C4 | 126.2° | 126.9° |
| C3 | C2 | H8 | 127.9° | 128.1° |
| C3 | C4 | O1 | 122.7° | 120.0° |
| H5 | C | H6 | 109.4° | 109.5° |
| H5 | C | H7 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H2 | 179.8° | 180.0° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | C5 | 0.2° | 0.5° |
| C8 | C9 | C10 | F | 179.2° | 179.7° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.3° | 0.2° |
| C7 | C6 | C5 | N2 | 178.8° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| N | O | C1 | C | 179.7° | 180.0° |
| N | O | C1 | C2 | 0.1° | 0.1° |
| O | N | C3 | C2 | 0.1° | 0.0° |
| O | N | C3 | C4 | 179.3° | 179.9° |
| C1 | O | N | C3 | 0.0° | 0.1° |
| O | C1 | C | C2 | 179.7° | 179.9° |
| O | C1 | C2 | C3 | 0.2° | 0.1° |
| O | C1 | C | H5 | 0.0° | 0.1° |
| O | C1 | C | H6 | 120.0° | 120.1° |
| O | C1 | C | H7 | 120.0° | 120.0° |
| O | C1 | C2 | H8 | 179.8° | 180.0° |
| C9 | C10 | C5 | C6 | 0.4° | 0.5° |
| C9 | C10 | C5 | F | 179.5° | 179.8° |
| C9 | C10 | C5 | N2 | 178.8° | 179.8° |
| C10 | C9 | C8 | H4 | 179.9° | 179.7° |
| N | C3 | C2 | C1 | 0.2° | 0.0° |
| N | C3 | C4 | N1 | 43.7° | 0.0° |
| N | C3 | C2 | C4 | 179.4° | 180.0° |
| N | C3 | C4 | O1 | 136.3° | 179.9° |
| N | C3 | C2 | H8 | 179.8° | 180.0° |
| C6 | C5 | C10 | N2 | 179.2° | 179.8° |
| C6 | C5 | C10 | F | 179.1° | 179.7° |
| C6 | C5 | N2 | N1 | 113.3° | 0.0° |
| C5 | C6 | C7 | H3 | 179.9° | 180.0° |
| C6 | C5 | N2 | H10 | 125.7° | 180.0° |
| C | C1 | C2 | C3 | 179.5° | 180.0° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H7 | 120.0° | 119.9° |
| C | C1 | C2 | H8 | 0.4° | 0.1° |
| C1 | C2 | C3 | H8 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C2 | C1 | C | H5 | 179.7° | 180.0° |
| C2 | C1 | C | H6 | 60.3° | 60.0° |
| C2 | C1 | C | H7 | 59.7° | 59.9° |
| C10 | C5 | N2 | N1 | 67.6° | 179.8° |
| C10 | C5 | C6 | H2 | 179.6° | 179.8° |
| C5 | C10 | C9 | H9 | 179.8° | 179.7° |
| C10 | C5 | N2 | H10 | 53.5° | 0.2° |
| F | C10 | C5 | N2 | 1.7° | 0.1° |
| F | C10 | C9 | H9 | 0.7° | 0.1° |
| C5 | N2 | N1 | H10 | 121.1° | 180.0° |
| C5 | N2 | N1 | C4 | 133.0° | 180.0° |
| C5 | N2 | N1 | H1 | 47.0° | 0.2° |
| N2 | C5 | C6 | H2 | 1.2° | 0.0° |
| N2 | N1 | C4 | H1 | 180.0° | 179.8° |
| N2 | N1 | C4 | C3 | 179.7° | 180.0° |
| N2 | N1 | C4 | O1 | 0.2° | 0.1° |
| N1 | C4 | C3 | C2 | 135.6° | 180.0° |
| N1 | C4 | C3 | O1 | 179.9° | 179.9° |
| C4 | N1 | N2 | H10 | 11.9° | 0.0° |
| C2 | C3 | C4 | O1 | 44.3° | 0.1° |
| C3 | C4 | N1 | H1 | 0.3° | 0.2° |
| C4 | C3 | C2 | H8 | 0.8° | 0.1° |
| O1 | C4 | N1 | H1 | 179.8° | 179.8° |
| H1 | N1 | N2 | H10 | 168.1° | 179.8° |
| H2 | C6 | C7 | H3 | 0.2° | 0.0° |
| H3 | C7 | C8 | H4 | 0.0° | 0.0° |
| H4 | C8 | C9 | H9 | 0.0° | 0.1° |
| H5 | C | H6 | H7 | 120.0° | 120.0° |
