U1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F10 | C07 | sing | 1.40Å | 1.36Å | |
| N01 | C02 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | F09 | sing | 1.40Å | 1.36Å | |
| C07 | C06 | sing | 1.51Å | 1.54Å | |
| C07 | F08 | sing | 1.40Å | 1.37Å | |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| N01 | H7 | sing | 1.01Å | 1.00Å | |
| N01 | H8 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F10 | C07 | F09 | 109.7° | 109.5° |
| F10 | C07 | C06 | 111.3° | 109.4° |
| F10 | C07 | F08 | 106.5° | 109.5° |
| N01 | C02 | C03 | 111.0° | 109.5° |
| N01 | C02 | H1 | 109.1° | 109.4° |
| N01 | C02 | H2 | 109.1° | 109.5° |
| C02 | N01 | H7 | 109.5° | 111.0° |
| C02 | N01 | H8 | 109.5° | 111.0° |
| C12 | C11 | C06 | 119.7° | 120.0° |
| C11 | C12 | C03 | 120.0° | 120.0° |
| C12 | C11 | H5 | 120.1° | 120.0° |
| C11 | C12 | H6 | 120.0° | 120.0° |
| C11 | C06 | C07 | 120.7° | 120.0° |
| C11 | C06 | C05 | 119.9° | 120.0° |
| C06 | C11 | H5 | 120.2° | 120.0° |
| C12 | C03 | C02 | 121.2° | 120.0° |
| C12 | C03 | C04 | 119.9° | 120.0° |
| C03 | C12 | H6 | 120.0° | 120.0° |
| F09 | C07 | C06 | 108.4° | 109.5° |
| F09 | C07 | F08 | 110.9° | 109.5° |
| C06 | C07 | F08 | 110.0° | 109.5° |
| C07 | C06 | C05 | 119.4° | 120.0° |
| C06 | C05 | C04 | 120.6° | 120.0° |
| C06 | C05 | H4 | 119.7° | 120.0° |
| C02 | C03 | C04 | 118.9° | 120.0° |
| C03 | C02 | H1 | 109.1° | 109.4° |
| C03 | C02 | H2 | 109.1° | 109.4° |
| C03 | C04 | C05 | 119.9° | 120.0° |
| C03 | C04 | H3 | 120.1° | 120.0° |
| C05 | C04 | H3 | 120.1° | 120.0° |
| C04 | C05 | H4 | 119.7° | 120.1° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H7 | N01 | H8 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F10 | C07 | C06 | C11 | 99.1° | 30.1° |
| F10 | C07 | F09 | C06 | 121.8° | 120.0° |
| F10 | C07 | F09 | F08 | 117.3° | 120.0° |
| F10 | C07 | C06 | F08 | 117.8° | 120.0° |
| F10 | C07 | C06 | C05 | 82.0° | 150.0° |
| N01 | C02 | C03 | C12 | 106.7° | 90.2° |
| N01 | C02 | C03 | H1 | 120.2° | 119.9° |
| N01 | C02 | C03 | H2 | 120.2° | 120.1° |
| N01 | C02 | C03 | C04 | 72.9° | 90.0° |
| N01 | C02 | H1 | H2 | 119.3° | 120.1° |
| C02 | N01 | H7 | H8 | 120.0° | 124.0° |
| C12 | C11 | C06 | H5 | 180.0° | 179.6° |
| C11 | C12 | C03 | H6 | 180.0° | 179.6° |
| C12 | C11 | C06 | C07 | 179.9° | 179.8° |
| C12 | C11 | C06 | C05 | 1.2° | 0.1° |
| C11 | C12 | C03 | C02 | 179.9° | 179.7° |
| C11 | C12 | C03 | C04 | 0.6° | 0.5° |
| C06 | C11 | C12 | C03 | 1.0° | 0.4° |
| C11 | C06 | C07 | F09 | 21.7° | 89.9° |
| C11 | C06 | C07 | C05 | 178.8° | 179.9° |
| C11 | C06 | C07 | F08 | 143.1° | 150.0° |
| C11 | C06 | C05 | C04 | 1.0° | 0.1° |
| C11 | C06 | C05 | H4 | 179.0° | 180.0° |
| C06 | C11 | C12 | H6 | 179.0° | 180.0° |
| C12 | C03 | C02 | C04 | 179.6° | 179.8° |
| C12 | C03 | C04 | C05 | 0.3° | 0.2° |
| C12 | C03 | C02 | H1 | 13.5° | 29.8° |
| C12 | C03 | C02 | H2 | 133.1° | 149.7° |
| C12 | C03 | C04 | H3 | 179.7° | 179.8° |
| C03 | C12 | C11 | H5 | 179.0° | 180.0° |
| F09 | C07 | C06 | F08 | 121.5° | 120.0° |
| F09 | C07 | C06 | C05 | 157.2° | 90.0° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C05 | H4 | 0.1° | 0.0° |
| C07 | C06 | C11 | H5 | 0.1° | 0.2° |
| F08 | C07 | C06 | C05 | 35.7° | 30.1° |
| C06 | C05 | C04 | C03 | 0.5° | 0.0° |
| C06 | C05 | C04 | H4 | 180.0° | 179.9° |
| C06 | C05 | C04 | H3 | 179.5° | 180.0° |
| C05 | C06 | C11 | H5 | 178.7° | 179.7° |
| C02 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | C02 | H1 | H2 | 119.3° | 120.0° |
| C02 | C03 | C04 | H3 | 0.1° | 0.0° |
| C02 | C03 | C12 | H6 | 0.1° | 0.1° |
| C03 | C02 | N01 | H7 | 180.0° | 56.0° |
| C03 | C02 | N01 | H8 | 60.0° | 180.0° |
| C03 | C04 | C05 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | H1 | 166.9° | 150.0° |
| C04 | C03 | C02 | H2 | 47.4° | 30.1° |
| C03 | C04 | C05 | H4 | 179.5° | 180.0° |
| C04 | C03 | C12 | H6 | 179.4° | 179.9° |
| H1 | C02 | N01 | H7 | 59.8° | 64.0° |
| H1 | C02 | N01 | H8 | 60.2° | 60.1° |
| H2 | C02 | N01 | H7 | 59.8° | 176.0° |
| H2 | C02 | N01 | H8 | 179.7° | 60.0° |
| H3 | C04 | C05 | H4 | 0.5° | 0.0° |
| H5 | C11 | C12 | H6 | 1.1° | 0.4° |






