71N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C1 | sing | 1.40Å | 1.32Å | |
| F3 | C1 | sing | 1.40Å | 1.32Å | |
| C1 | F1 | sing | 1.40Å | 1.32Å | |
| C1 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | N5 | sing | 1.36Å | 1.33Å | Aromatic |
| C4 | N6 | doub | 1.30Å | 1.34Å | Aromatic |
| N5 | C7 | sing | 1.38Å | 1.34Å | Aromatic |
| N6 | C12 | sing | 1.36Å | 1.35Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N13 | sing | 1.40Å | 1.48Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| N13 | H6 | sing | 0.97Å | 1.00Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C1 | F3 | 109.1° | 109.5° |
| F2 | C1 | F1 | 109.9° | 109.4° |
| F2 | C1 | C4 | 109.2° | 109.5° |
| F3 | C1 | F1 | 108.9° | 109.4° |
| F3 | C1 | C4 | 110.1° | 109.5° |
| F1 | C1 | C4 | 109.6° | 109.5° |
| C1 | C4 | N5 | 122.7° | 124.9° |
| C1 | C4 | N6 | 122.4° | 124.9° |
| N5 | C4 | N6 | 114.9° | 110.2° |
| C4 | N5 | C7 | 104.8° | 107.3° |
| C4 | N5 | H4 | 127.6° | 126.4° |
| C4 | N6 | C12 | 103.7° | 109.6° |
| N5 | C7 | C12 | 108.0° | 105.9° |
| N5 | C7 | C8 | 132.2° | 134.0° |
| C7 | N5 | H4 | 127.6° | 126.3° |
| N6 | C12 | C7 | 108.7° | 107.0° |
| N6 | C12 | C11 | 131.3° | 133.5° |
| C12 | C7 | C8 | 119.8° | 120.0° |
| C7 | C12 | C11 | 120.0° | 119.6° |
| C7 | C8 | C9 | 120.0° | 120.0° |
| C7 | C8 | H2 | 120.0° | 120.0° |
| C12 | C11 | C10 | 119.9° | 119.7° |
| C12 | C11 | H1 | 120.0° | 120.2° |
| C8 | C9 | C10 | 120.0° | 120.4° |
| C9 | C8 | H2 | 120.0° | 120.0° |
| C8 | C9 | H3 | 120.0° | 119.9° |
| C11 | C10 | C9 | 120.3° | 120.4° |
| C11 | C10 | N13 | 119.8° | 119.8° |
| C10 | C11 | H1 | 120.1° | 120.1° |
| C9 | C10 | N13 | 119.9° | 119.8° |
| C10 | C9 | H3 | 120.0° | 119.8° |
| C10 | N13 | H6 | 109.5° | 120.0° |
| C10 | N13 | H7 | 109.5° | 120.0° |
| H6 | N13 | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C1 | F3 | F1 | 120.0° | 120.0° |
| F2 | C1 | F3 | C4 | 119.8° | 120.0° |
| F2 | C1 | F1 | C4 | 120.0° | 120.0° |
| F2 | C1 | C4 | N5 | 36.4° | 45.0° |
| F2 | C1 | C4 | N6 | 143.5° | 134.8° |
| F3 | C1 | F1 | C4 | 120.5° | 120.0° |
| F3 | C1 | C4 | N5 | 156.2° | 165.1° |
| F3 | C1 | C4 | N6 | 23.7° | 14.7° |
| F1 | C1 | C4 | N5 | 84.1° | 75.0° |
| F1 | C1 | C4 | N6 | 96.1° | 105.2° |
| C1 | C4 | N5 | N6 | 179.9° | 179.8° |
| C1 | C4 | N5 | C7 | 180.0° | 180.0° |
| C1 | C4 | N6 | C12 | 180.0° | 179.8° |
| C1 | C4 | N5 | H4 | 0.0° | 0.2° |
| C4 | N5 | C7 | H4 | 180.0° | 179.8° |
| N5 | C4 | N6 | C12 | 0.1° | 0.4° |
| C4 | N5 | C7 | C12 | 0.0° | 0.0° |
| C4 | N5 | C7 | C8 | 180.0° | 179.9° |
| N6 | C4 | N5 | C7 | 0.1° | 0.2° |
| C4 | N6 | C12 | C7 | 0.0° | 0.4° |
| C4 | N6 | C12 | C11 | 180.0° | 179.9° |
| N6 | C4 | N5 | H4 | 179.9° | 180.0° |
| N5 | C7 | C12 | N6 | 0.0° | 0.2° |
| N5 | C7 | C12 | C8 | 180.0° | 180.0° |
| N5 | C7 | C12 | C11 | 180.0° | 180.0° |
| N5 | C7 | C8 | C9 | 180.0° | 180.0° |
| N5 | C7 | C8 | H2 | 0.0° | 0.1° |
| N6 | C12 | C7 | C11 | 180.0° | 179.7° |
| N6 | C12 | C7 | C8 | 180.0° | 179.7° |
| N6 | C12 | C11 | C10 | 180.0° | 179.7° |
| N6 | C12 | C11 | H1 | 0.1° | 0.3° |
| C12 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C12 | C11 | C10 | 0.0° | 0.0° |
| C7 | C12 | C11 | H1 | 180.0° | 180.0° |
| C12 | C7 | C8 | H2 | 180.0° | 180.0° |
| C12 | C7 | N5 | H4 | 180.0° | 179.7° |
| C8 | C7 | C12 | C11 | 0.0° | 0.0° |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C8 | C7 | N5 | H4 | 0.0° | 0.3° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.0° | 0.1° |
| C12 | C11 | C10 | N13 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.1° |
| C8 | C9 | C10 | H3 | 180.0° | 179.9° |
| C8 | C9 | C10 | N13 | 180.0° | 180.0° |
| C11 | C10 | C9 | N13 | 180.0° | 179.9° |
| C11 | C10 | C9 | H3 | 180.0° | 180.0° |
| C11 | C10 | N13 | H6 | 180.0° | 0.1° |
| C11 | C10 | N13 | H7 | 60.0° | 180.0° |
| C9 | C10 | C11 | H1 | 180.0° | 179.9° |
| C10 | C9 | C8 | H2 | 180.0° | 179.9° |
| C9 | C10 | N13 | H6 | 0.1° | 180.0° |
| C9 | C10 | N13 | H7 | 120.1° | 0.1° |
| N13 | C10 | C11 | H1 | 0.1° | 0.0° |
| N13 | C10 | C9 | H3 | 0.0° | 0.1° |
| C10 | N13 | H6 | H7 | 120.0° | 179.9° |
| H2 | C8 | C9 | H3 | 0.0° | 0.0° |
