U7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F02 | C14 | sing | 1.40Å | 1.36Å | |
| F01 | C14 | sing | 1.40Å | 1.36Å | |
| F03 | C14 | sing | 1.40Å | 1.36Å | |
| C14 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | N03 | sing | 1.40Å | 1.45Å | |
| N03 | C07 | sing | 1.35Å | 1.45Å | |
| N01 | C02 | doub | 1.32Å | 1.33Å | Aromatic |
| N01 | C03 | sing | 1.32Å | 1.33Å | Aromatic |
| N02 | C07 | sing | 1.35Å | 1.45Å | |
| N02 | C03 | sing | 1.39Å | 1.45Å | |
| C07 | S01 | doub | 1.71Å | 1.60Å | |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | C05 | doub | 1.39Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| N02 | H6 | sing | 0.97Å | 1.00Å | |
| N03 | H7 | sing | 0.97Å | 1.00Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F02 | C14 | F01 | 109.7° | 109.5° |
| F02 | C14 | F03 | 109.7° | 109.5° |
| F02 | C14 | C12 | 109.7° | 109.5° |
| F01 | C14 | F03 | 109.2° | 109.5° |
| F01 | C14 | C12 | 109.3° | 109.5° |
| F03 | C14 | C12 | 109.3° | 109.5° |
| C14 | C12 | C11 | 120.4° | 120.0° |
| C14 | C12 | C13 | 119.5° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.2° |
| C12 | C11 | H2 | 120.1° | 119.9° |
| C12 | C13 | C08 | 120.1° | 120.0° |
| C12 | C13 | H3 | 119.9° | 120.0° |
| C11 | C10 | C09 | 120.1° | 120.1° |
| C11 | C10 | H1 | 120.0° | 120.0° |
| C10 | C11 | H2 | 120.1° | 119.9° |
| C13 | C08 | C09 | 119.9° | 119.8° |
| C13 | C08 | N03 | 119.6° | 120.1° |
| C08 | C13 | H3 | 120.0° | 120.0° |
| C10 | C09 | C08 | 120.0° | 120.0° |
| C09 | C10 | H1 | 119.9° | 119.9° |
| C10 | C09 | H12 | 120.0° | 120.0° |
| C09 | C08 | N03 | 120.5° | 120.1° |
| C08 | C09 | H12 | 120.0° | 120.0° |
| C08 | N03 | C07 | 120.0° | 120.0° |
| C08 | N03 | H7 | 120.0° | 120.0° |
| N03 | C07 | N02 | 119.8° | 120.0° |
| N03 | C07 | S01 | 119.8° | 120.0° |
| C07 | N03 | H7 | 120.1° | 120.0° |
| C02 | N01 | C03 | 116.9° | 121.6° |
| N01 | C02 | C01 | 123.6° | 120.9° |
| N01 | C02 | H5 | 118.2° | 119.5° |
| N01 | C03 | N02 | 118.0° | 119.7° |
| N01 | C03 | C04 | 123.7° | 120.7° |
| C07 | N02 | C03 | 120.7° | 120.0° |
| N02 | C07 | S01 | 120.4° | 120.0° |
| C07 | N02 | H6 | 119.6° | 120.0° |
| N02 | C03 | C04 | 118.4° | 119.7° |
| C03 | N02 | H6 | 119.7° | 120.0° |
| C02 | C01 | C05 | 118.3° | 119.3° |
| C02 | C01 | H4 | 120.9° | 120.3° |
| C01 | C02 | H5 | 118.2° | 119.6° |
| C03 | C04 | C05 | 118.1° | 119.1° |
| C03 | C04 | H8 | 120.9° | 120.5° |
| C01 | C05 | C04 | 119.3° | 118.5° |
| C01 | C05 | C06 | 120.2° | 120.8° |
| C05 | C01 | H4 | 120.8° | 120.4° |
| C04 | C05 | C06 | 120.5° | 120.7° |
| C05 | C04 | H8 | 120.9° | 120.4° |
| C05 | C06 | H9 | 109.5° | 109.5° |
| C05 | C06 | H10 | 109.5° | 109.5° |
| C05 | C06 | H11 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H9 | C06 | H11 | 109.4° | 109.4° |
| H10 | C06 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F02 | C14 | F01 | F03 | 120.2° | 120.0° |
| F02 | C14 | F01 | C12 | 120.3° | 120.0° |
| F02 | C14 | F03 | C12 | 120.3° | 120.0° |
| F02 | C14 | C12 | C11 | 42.3° | 120.0° |
| F02 | C14 | C12 | C13 | 138.0° | 60.0° |
| F01 | C14 | F03 | C12 | 119.5° | 120.0° |
| F01 | C14 | C12 | C11 | 162.5° | 0.0° |
| F01 | C14 | C12 | C13 | 17.7° | 180.0° |
| F03 | C14 | C12 | C11 | 78.0° | 120.0° |
| F03 | C14 | C12 | C13 | 101.7° | 60.0° |
| C14 | C12 | C11 | C13 | 179.8° | 180.0° |
| C14 | C12 | C11 | C10 | 179.9° | 180.0° |
| C14 | C12 | C13 | C08 | 179.9° | 180.0° |
| C14 | C12 | C11 | H2 | 0.1° | 0.0° |
| C14 | C12 | C13 | H3 | 0.1° | 0.0° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | C08 | 0.1° | 0.0° |
| C12 | C11 | C10 | C09 | 0.1° | 0.1° |
| C12 | C11 | C10 | H1 | 179.9° | 179.7° |
| C11 | C12 | C13 | H3 | 179.9° | 179.9° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C12 | C13 | C08 | H3 | 180.0° | 180.0° |
| C12 | C13 | C08 | C09 | 0.1° | 0.0° |
| C12 | C13 | C08 | N03 | 179.9° | 180.0° |
| C13 | C12 | C11 | H2 | 179.9° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.6° |
| C11 | C10 | C09 | C08 | 0.1° | 0.1° |
| C11 | C10 | C09 | H12 | 179.9° | 179.7° |
| C13 | C08 | C09 | C10 | 0.0° | 0.1° |
| C13 | C08 | C09 | N03 | 179.9° | 180.0° |
| C13 | C08 | N03 | C07 | 80.5° | 139.0° |
| C13 | C08 | N03 | H7 | 99.5° | 41.0° |
| C13 | C08 | C09 | H12 | 180.0° | 179.8° |
| C10 | C09 | C08 | H12 | 180.0° | 179.8° |
| C10 | C09 | C08 | N03 | 179.9° | 179.9° |
| C09 | C10 | C11 | H2 | 179.9° | 179.9° |
| C09 | C08 | N03 | C07 | 99.5° | 41.0° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C09 | C08 | C13 | H3 | 179.9° | 180.0° |
| C09 | C08 | N03 | H7 | 80.5° | 139.0° |
| C08 | N03 | C07 | H7 | 180.0° | 180.0° |
| C08 | N03 | C07 | N02 | 0.1° | 174.2° |
| C08 | N03 | C07 | S01 | 179.9° | 5.8° |
| N03 | C08 | C13 | H3 | 0.1° | 0.0° |
| N03 | C08 | C09 | H12 | 0.1° | 0.2° |
| N03 | C07 | N02 | S01 | 180.0° | 180.0° |
| N03 | C07 | N02 | C03 | 180.0° | 174.7° |
| N03 | C07 | N02 | H6 | 0.0° | 5.3° |
| C02 | N01 | C03 | N02 | 179.9° | 180.0° |
| N01 | C02 | C01 | H5 | 180.0° | 180.0° |
| C02 | N01 | C03 | C04 | 0.2° | 0.2° |
| N01 | C02 | C01 | C05 | 0.0° | 0.0° |
| N01 | C02 | C01 | H4 | 179.9° | 179.7° |
| N01 | C03 | N02 | C07 | 97.1° | 6.1° |
| N01 | C03 | N02 | C04 | 179.8° | 179.8° |
| C03 | N01 | C02 | C01 | 0.1° | 0.1° |
| N01 | C03 | C04 | C05 | 0.2° | 0.4° |
| C03 | N01 | C02 | H5 | 179.9° | 180.0° |
| N01 | C03 | N02 | H6 | 82.9° | 173.9° |
| N01 | C03 | C04 | H8 | 179.7° | 180.0° |
| C07 | N02 | C03 | H6 | 180.0° | 179.9° |
| C07 | N02 | C03 | C04 | 83.2° | 174.1° |
| N02 | C07 | N03 | H7 | 179.9° | 5.8° |
| C03 | N02 | C07 | S01 | 0.1° | 5.3° |
| N02 | C03 | C04 | C05 | 180.0° | 179.7° |
| N02 | C03 | C04 | H8 | 0.0° | 0.2° |
| S01 | C07 | N02 | H6 | 179.9° | 174.7° |
| S01 | C07 | N03 | H7 | 0.1° | 174.2° |
| C02 | C01 | C05 | H4 | 180.0° | 179.7° |
| C02 | C01 | C05 | C04 | 0.1° | 0.2° |
| C02 | C01 | C05 | C06 | 180.0° | 179.7° |
| C03 | C04 | C05 | C01 | 0.2° | 0.5° |
| C03 | C04 | C05 | H8 | 180.0° | 179.5° |
| C03 | C04 | C05 | C06 | 179.9° | 179.5° |
| C04 | C03 | N02 | H6 | 96.8° | 6.0° |
| C01 | C05 | C04 | C06 | 179.9° | 180.0° |
| C05 | C01 | C02 | H5 | 179.9° | 180.0° |
| C01 | C05 | C04 | H8 | 179.8° | 180.0° |
| C01 | C05 | C06 | H9 | 90.0° | 90.0° |
| C01 | C05 | C06 | H10 | 150.0° | 150.0° |
| C01 | C05 | C06 | H11 | 30.0° | 30.0° |
| C04 | C05 | C01 | H4 | 179.9° | 180.0° |
| C04 | C05 | C06 | H9 | 90.0° | 90.1° |
| C04 | C05 | C06 | H10 | 30.0° | 30.0° |
| C04 | C05 | C06 | H11 | 150.0° | 150.0° |
| C06 | C05 | C01 | H4 | 0.0° | 0.0° |
| C06 | C05 | C04 | H8 | 0.1° | 0.0° |
| C05 | C06 | H9 | H10 | 120.0° | 120.1° |
| C05 | C06 | H9 | H11 | 120.0° | 120.0° |
| C05 | C06 | H10 | H11 | 120.0° | 120.0° |
| H1 | C10 | C11 | H2 | 0.1° | 0.3° |
| H1 | C10 | C09 | H12 | 0.1° | 0.1° |
| H4 | C01 | C02 | H5 | 0.1° | 0.3° |
| H9 | C06 | H10 | H11 | 120.0° | 120.0° |
