O1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C8 | sing | 1.35Å | 1.23Å | |
| C8 | C9 | doub | 1.38Å | 1.27Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.32Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.30Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.38Å | |
| N2 | C3 | sing | 1.47Å | 1.41Å | |
| N2 | C2 | sing | 1.47Å | 1.38Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C4 | N1 | sing | 1.47Å | 1.48Å | |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C | sing | 1.35Å | 1.40Å | |
| C | N | sing | 1.35Å | 1.38Å | |
| C | O | doub | 1.22Å | 1.21Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C8 | C9 | 115.6° | 119.9° |
| F | C8 | C7 | 122.2° | 119.9° |
| C9 | C8 | C7 | 122.2° | 120.1° |
| C8 | C9 | C10 | 119.5° | 120.0° |
| C8 | C9 | H14 | 120.2° | 120.0° |
| C8 | C7 | C6 | 118.0° | 120.0° |
| C8 | C7 | H4 | 121.0° | 120.0° |
| C9 | C10 | C5 | 121.2° | 120.0° |
| C9 | C10 | H5 | 119.4° | 120.0° |
| C10 | C9 | H14 | 120.2° | 119.9° |
| C7 | C6 | C5 | 119.5° | 120.0° |
| C7 | C6 | H3 | 120.2° | 120.0° |
| C6 | C7 | H4 | 121.0° | 120.0° |
| C10 | C5 | C6 | 119.5° | 119.9° |
| C10 | C5 | N2 | 115.8° | 120.1° |
| C5 | C10 | H5 | 119.4° | 120.0° |
| C6 | C5 | N2 | 124.7° | 120.0° |
| C5 | C6 | H3 | 120.3° | 120.0° |
| C5 | N2 | C3 | 112.5° | 111.0° |
| C5 | N2 | C2 | 117.6° | 111.1° |
| C3 | N2 | C2 | 111.5° | 111.4° |
| N2 | C3 | C4 | 114.7° | 109.3° |
| N2 | C3 | H12 | 108.1° | 109.6° |
| N2 | C3 | H13 | 108.2° | 109.5° |
| N2 | C2 | C1 | 111.9° | 109.3° |
| N2 | C2 | H10 | 108.8° | 109.6° |
| N2 | C2 | H11 | 108.9° | 109.5° |
| C3 | C4 | N1 | 112.1° | 108.5° |
| C3 | C4 | H1 | 108.8° | 109.6° |
| C3 | C4 | H2 | 108.8° | 109.8° |
| C4 | C3 | H12 | 108.2° | 109.5° |
| C4 | C3 | H13 | 108.1° | 109.5° |
| C2 | C1 | N1 | 115.8° | 108.5° |
| C2 | C1 | H8 | 107.9° | 109.6° |
| C2 | C1 | H9 | 107.9° | 109.8° |
| C1 | C2 | H10 | 108.9° | 109.5° |
| C1 | C2 | H11 | 108.8° | 109.5° |
| C4 | N1 | C1 | 114.7° | 118.2° |
| C4 | N1 | C | 115.8° | 120.9° |
| N1 | C4 | H1 | 108.8° | 109.6° |
| N1 | C4 | H2 | 108.8° | 109.6° |
| C1 | N1 | C | 117.9° | 120.9° |
| N1 | C1 | H8 | 107.9° | 109.6° |
| N1 | C1 | H9 | 107.9° | 109.6° |
| N1 | C | N | 116.7° | 120.0° |
| N1 | C | O | 122.9° | 120.0° |
| N | C | O | 120.5° | 120.0° |
| C | N | H6 | 120.0° | 120.0° |
| C | N | H7 | 120.0° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.6° |
| H6 | N | H7 | 120.0° | 120.0° |
| H8 | C1 | H9 | 109.5° | 109.6° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C8 | C9 | C7 | 179.3° | 179.8° |
| F | C8 | C9 | C10 | 178.8° | 180.0° |
| F | C8 | C7 | C6 | 178.9° | 179.7° |
| F | C8 | C7 | H4 | 1.1° | 0.2° |
| F | C8 | C9 | H14 | 1.2° | 0.3° |
| C8 | C9 | C10 | H14 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C8 | C9 | C10 | C5 | 0.0° | 0.6° |
| C9 | C8 | C7 | H4 | 179.6° | 180.0° |
| C8 | C9 | C10 | H5 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.5° | 0.3° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | H3 | 179.8° | 180.0° |
| C7 | C8 | C9 | H14 | 179.5° | 180.0° |
| C9 | C10 | C5 | H5 | 180.0° | 179.7° |
| C9 | C10 | C5 | C6 | 0.5° | 0.6° |
| C9 | C10 | C5 | N2 | 178.0° | 179.8° |
| C7 | C6 | C5 | C10 | 0.5° | 0.3° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | N2 | 177.8° | 179.9° |
| C10 | C5 | C6 | N2 | 178.4° | 179.6° |
| C10 | C5 | N2 | C3 | 37.3° | 0.4° |
| C10 | C5 | N2 | C2 | 168.9° | 124.9° |
| C10 | C5 | C6 | H3 | 179.4° | 179.7° |
| C5 | C10 | C9 | H14 | 179.9° | 179.7° |
| C6 | C5 | N2 | C3 | 144.3° | 180.0° |
| C6 | C5 | N2 | C2 | 12.7° | 55.5° |
| C5 | C6 | C7 | H4 | 179.9° | 180.0° |
| C6 | C5 | C10 | H5 | 179.5° | 179.7° |
| C5 | N2 | C3 | C2 | 134.6° | 124.3° |
| C5 | N2 | C3 | C4 | 164.8° | 172.8° |
| C5 | N2 | C2 | C1 | 170.3° | 172.8° |
| N2 | C5 | C6 | H3 | 2.2° | 0.1° |
| N2 | C5 | C10 | H5 | 2.0° | 0.1° |
| C5 | N2 | C2 | H10 | 50.0° | 67.2° |
| C5 | N2 | C2 | H11 | 69.3° | 52.9° |
| C5 | N2 | C3 | H12 | 74.4° | 52.8° |
| C5 | N2 | C3 | H13 | 44.0° | 67.3° |
| N2 | C3 | C4 | H12 | 120.8° | 120.1° |
| N2 | C3 | C4 | H13 | 120.8° | 120.0° |
| C3 | N2 | C2 | C1 | 57.6° | 62.9° |
| N2 | C3 | C4 | N1 | 48.0° | 53.8° |
| N2 | C3 | C4 | H1 | 168.4° | 65.9° |
| N2 | C3 | C4 | H2 | 72.4° | 173.5° |
| C3 | N2 | C2 | H10 | 178.0° | 57.1° |
| C3 | N2 | C2 | H11 | 62.7° | 177.1° |
| N2 | C3 | H12 | H13 | 117.6° | 120.1° |
| C2 | N2 | C3 | C4 | 60.6° | 62.9° |
| N2 | C2 | C1 | H10 | 120.3° | 120.1° |
| N2 | C2 | C1 | H11 | 120.4° | 119.9° |
| N2 | C2 | C1 | N1 | 46.3° | 53.9° |
| N2 | C2 | C1 | H8 | 74.7° | 173.6° |
| N2 | C2 | C1 | H9 | 167.2° | 65.9° |
| N2 | C2 | H10 | H11 | 118.9° | 120.0° |
| C2 | N2 | C3 | H12 | 60.2° | 177.2° |
| C2 | N2 | C3 | H13 | 178.6° | 57.1° |
| C3 | C4 | N1 | H1 | 120.4° | 119.7° |
| C3 | C4 | N1 | H2 | 120.4° | 119.9° |
| C3 | C4 | N1 | C1 | 35.2° | 51.4° |
| C3 | C4 | N1 | C | 107.3° | 128.8° |
| C3 | C4 | H1 | H2 | 118.8° | 120.7° |
| C4 | C3 | H12 | H13 | 117.6° | 120.0° |
| C2 | C1 | N1 | C4 | 35.3° | 51.5° |
| C2 | C1 | N1 | H8 | 120.9° | 119.7° |
| C2 | C1 | N1 | H9 | 120.9° | 119.9° |
| C2 | C1 | N1 | C | 106.3° | 128.8° |
| C2 | C1 | H8 | H9 | 117.1° | 120.6° |
| C1 | C2 | H10 | H11 | 118.9° | 120.1° |
| C4 | N1 | C1 | C | 141.6° | 179.8° |
| C4 | N1 | C | N | 19.2° | 174.8° |
| C4 | N1 | C | O | 160.4° | 5.2° |
| N1 | C4 | H1 | H2 | 118.8° | 120.3° |
| C4 | N1 | C1 | H8 | 85.6° | 171.2° |
| C4 | N1 | C1 | H9 | 156.3° | 68.5° |
| N1 | C4 | C3 | H12 | 72.7° | 173.8° |
| N1 | C4 | C3 | H13 | 168.8° | 66.2° |
| C1 | N1 | C | N | 160.4° | 5.0° |
| C1 | N1 | C | O | 19.2° | 175.1° |
| C1 | N1 | C4 | H1 | 155.6° | 68.3° |
| C1 | N1 | C4 | H2 | 85.2° | 171.4° |
| N1 | C1 | H8 | H9 | 117.1° | 120.4° |
| N1 | C1 | C2 | H10 | 166.6° | 66.2° |
| N1 | C1 | C2 | H11 | 74.1° | 173.8° |
| N1 | C | N | O | 179.6° | 180.0° |
| C | N1 | C4 | H1 | 13.1° | 111.5° |
| C | N1 | C4 | H2 | 132.4° | 8.9° |
| N1 | C | N | H6 | 179.7° | 4.9° |
| N1 | C | N | H7 | 0.4° | 175.0° |
| C | N1 | C1 | H8 | 132.8° | 9.1° |
| C | N1 | C1 | H9 | 14.7° | 111.3° |
| C | N | H6 | H7 | 179.9° | 179.9° |
| O | C | N | H6 | 0.0° | 175.1° |
| O | C | N | H7 | 180.0° | 5.0° |
| H1 | C4 | C3 | H12 | 47.6° | 54.1° |
| H1 | C4 | C3 | H13 | 70.8° | 174.1° |
| H2 | C4 | C3 | H12 | 166.8° | 66.4° |
| H2 | C4 | C3 | H13 | 48.4° | 53.6° |
| H3 | C6 | C7 | H4 | 0.2° | 0.0° |
| H5 | C10 | C9 | H14 | 0.0° | 0.0° |
| H8 | C1 | C2 | H10 | 45.7° | 53.6° |
| H8 | C1 | C2 | H11 | 165.0° | 66.5° |
| H9 | C1 | C2 | H10 | 72.4° | 174.0° |
| H9 | C1 | C2 | H11 | 46.8° | 54.0° |
