K7U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C02 | sing | 1.39Å | 1.36Å | |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C04 | sing | 1.51Å | 1.50Å | |
| C02 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| N01 | C06 | doub | 1.33Å | 1.35Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C06 | C08 | sing | 1.43Å | 1.29Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C12 | N11 | sing | 1.48Å | 1.47Å | |
| F15 | C13 | sing | 1.40Å | 1.32Å | |
| C08 | C09 | trip | 1.17Å | 1.18Å | |
| C13 | F16 | sing | 1.40Å | 1.33Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C09 | C10 | sing | 1.47Å | 1.47Å | |
| N11 | C14 | sing | 1.48Å | 1.48Å | |
| N11 | C10 | sing | 1.47Å | 1.46Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| N02 | H12 | sing | 0.97Å | 1.00Å | |
| N02 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C02 | C03 | 120.4° | 119.6° |
| N02 | C02 | N01 | 119.3° | 119.6° |
| C02 | N02 | H12 | 109.5° | 120.0° |
| C02 | N02 | H13 | 109.4° | 120.1° |
| C02 | C03 | C04 | 118.9° | 119.3° |
| C03 | C02 | N01 | 120.3° | 120.7° |
| C02 | C03 | H1 | 120.5° | 120.3° |
| C03 | C04 | C07 | 120.0° | 120.7° |
| C03 | C04 | C05 | 119.6° | 118.6° |
| C04 | C03 | H1 | 120.6° | 120.3° |
| C07 | C04 | C05 | 120.4° | 120.7° |
| C04 | C07 | H3 | 109.5° | 109.5° |
| C04 | C07 | H4 | 109.4° | 109.4° |
| C04 | C07 | H5 | 109.5° | 109.4° |
| C02 | N01 | C06 | 121.5° | 121.5° |
| C04 | C05 | C06 | 120.2° | 119.3° |
| C04 | C05 | H2 | 119.9° | 120.4° |
| N01 | C06 | C05 | 119.6° | 120.6° |
| N01 | C06 | C08 | 120.6° | 119.7° |
| C05 | C06 | C08 | 119.9° | 119.8° |
| C06 | C05 | H2 | 119.9° | 120.4° |
| C06 | C08 | C09 | 175.3° | 179.9° |
| C13 | C12 | N11 | 89.7° | 86.2° |
| C12 | C13 | F15 | 114.0° | 113.7° |
| C12 | C13 | F16 | 112.0° | 113.8° |
| C12 | C13 | C14 | 88.7° | 86.4° |
| C13 | C12 | H8 | 114.2° | 113.8° |
| C13 | C12 | H9 | 114.2° | 113.8° |
| C12 | N11 | C14 | 92.0° | 90.8° |
| C12 | N11 | C10 | 112.9° | 111.0° |
| N11 | C12 | H8 | 114.1° | 113.8° |
| N11 | C12 | H9 | 114.2° | 113.8° |
| F15 | C13 | F16 | 113.1° | 112.9° |
| F15 | C13 | C14 | 111.9° | 113.8° |
| C08 | C09 | C10 | 173.9° | 179.9° |
| F16 | C13 | C14 | 114.9° | 113.8° |
| C13 | C14 | N11 | 89.6° | 86.2° |
| C13 | C14 | H10 | 114.2° | 113.8° |
| C13 | C14 | H11 | 114.2° | 113.8° |
| C09 | C10 | N11 | 115.6° | 109.4° |
| C09 | C10 | H6 | 107.9° | 109.4° |
| C09 | C10 | H7 | 107.9° | 109.5° |
| C14 | N11 | C10 | 108.7° | 111.0° |
| N11 | C14 | H10 | 114.2° | 113.8° |
| N11 | C14 | H11 | 114.2° | 113.9° |
| N11 | C10 | H6 | 107.9° | 109.4° |
| N11 | C10 | H7 | 107.9° | 109.5° |
| H3 | C07 | H4 | 109.4° | 109.5° |
| H3 | C07 | H5 | 109.5° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 113.0° |
| H10 | C14 | H11 | 109.4° | 112.9° |
| H12 | N02 | H13 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C02 | C03 | N01 | 178.7° | 179.8° |
| N02 | C02 | C03 | C04 | 179.6° | 179.7° |
| N02 | C02 | N01 | C06 | 179.4° | 179.7° |
| N02 | C02 | C03 | H1 | 0.5° | 0.3° |
| C02 | N02 | H12 | H13 | 120.0° | 179.9° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C07 | 179.4° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | N01 | C06 | 0.7° | 0.0° |
| C03 | C02 | N02 | H12 | 178.6° | 179.7° |
| C03 | C02 | N02 | H13 | 58.7° | 0.2° |
| C03 | C04 | C07 | C05 | 179.7° | 180.0° |
| C04 | C03 | C02 | N01 | 0.9° | 0.0° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C03 | C04 | C05 | H2 | 179.6° | 180.0° |
| C03 | C04 | C07 | H3 | 90.2° | 90.0° |
| C03 | C04 | C07 | H4 | 149.8° | 150.0° |
| C03 | C04 | C07 | H5 | 29.9° | 30.0° |
| C07 | C04 | C05 | C06 | 179.9° | 180.0° |
| C07 | C04 | C03 | H1 | 0.6° | 0.0° |
| C07 | C04 | C05 | H2 | 0.1° | 0.0° |
| C04 | C07 | H3 | H4 | 120.0° | 120.0° |
| C04 | C07 | H3 | H5 | 120.0° | 120.0° |
| C04 | C07 | H4 | H5 | 120.0° | 120.0° |
| C02 | N01 | C06 | C05 | 0.0° | 0.0° |
| C02 | N01 | C06 | C08 | 179.6° | 180.0° |
| N01 | C02 | C03 | H1 | 179.1° | 180.0° |
| N01 | C02 | N02 | H12 | 0.0° | 0.0° |
| N01 | C02 | N02 | H13 | 120.0° | 180.0° |
| C04 | C05 | C06 | N01 | 0.6° | 0.0° |
| C04 | C05 | C06 | H2 | 180.0° | 180.0° |
| C04 | C05 | C06 | C08 | 179.0° | 180.0° |
| C05 | C04 | C03 | H1 | 179.7° | 180.0° |
| C05 | C04 | C07 | H3 | 90.1° | 90.0° |
| C05 | C04 | C07 | H4 | 29.8° | 30.0° |
| C05 | C04 | C07 | H5 | 149.8° | 150.0° |
| N01 | C06 | C05 | C08 | 179.6° | 180.0° |
| N01 | C06 | C08 | C09 | 168.8° | 142.8° |
| N01 | C06 | C05 | H2 | 179.4° | 180.0° |
| C05 | C06 | C08 | C09 | 10.8° | 37.3° |
| C06 | C08 | C09 | C10 | 79.9° | 142.4° |
| C08 | C06 | C05 | H2 | 1.0° | 0.0° |
| C13 | C12 | N11 | H8 | 116.5° | 114.3° |
| C13 | C12 | N11 | H9 | 116.5° | 114.3° |
| C12 | C13 | F15 | F16 | 129.6° | 131.5° |
| C12 | C13 | F15 | C14 | 98.7° | 96.8° |
| C12 | C13 | F16 | C14 | 99.2° | 96.8° |
| C13 | C12 | N11 | C14 | 1.8° | 24.7° |
| C13 | C12 | N11 | C10 | 113.1° | 137.6° |
| C13 | C12 | H8 | H9 | 129.4° | 131.7° |
| C12 | C13 | C14 | H10 | 114.8° | 90.6° |
| C12 | C13 | C14 | H11 | 118.2° | 138.2° |
| N11 | C12 | C13 | F15 | 111.7° | 90.8° |
| N11 | C12 | C13 | F16 | 118.2° | 138.1° |
| C12 | N11 | C10 | C09 | 60.0° | 170.0° |
| C12 | N11 | C14 | C10 | 115.1° | 112.9° |
| C12 | N11 | C10 | H6 | 179.1° | 70.0° |
| C12 | N11 | C10 | H7 | 60.9° | 50.0° |
| N11 | C12 | H8 | H9 | 129.4° | 131.7° |
| C12 | N11 | C14 | H10 | 114.7° | 89.7° |
| C12 | N11 | C14 | H11 | 118.3° | 139.0° |
| F15 | C13 | F16 | C14 | 130.2° | 131.7° |
| F15 | C13 | C14 | N11 | 113.7° | 90.6° |
| F15 | C13 | C12 | H8 | 4.8° | 23.5° |
| F15 | C13 | C12 | H9 | 131.8° | 154.9° |
| F15 | C13 | C14 | H10 | 129.8° | 155.0° |
| F15 | C13 | C14 | H11 | 2.8° | 23.8° |
| C08 | C09 | C10 | N11 | 173.8° | 165.2° |
| C08 | C09 | C10 | H6 | 65.3° | 74.9° |
| C08 | C09 | C10 | H7 | 52.9° | 45.1° |
| F16 | C13 | C14 | N11 | 115.5° | 138.1° |
| F16 | C13 | C12 | H8 | 125.4° | 107.6° |
| F16 | C13 | C12 | H9 | 1.6° | 23.8° |
| F16 | C13 | C14 | H10 | 1.0° | 23.8° |
| F16 | C13 | C14 | H11 | 128.0° | 107.4° |
| C13 | C14 | N11 | H10 | 116.5° | 114.3° |
| C13 | C14 | N11 | H11 | 116.5° | 114.3° |
| C13 | C14 | N11 | C10 | 116.9° | 137.6° |
| C14 | C13 | C12 | H8 | 118.2° | 138.0° |
| C14 | C13 | C12 | H9 | 114.8° | 90.6° |
| C13 | C14 | H10 | H11 | 129.4° | 131.6° |
| C09 | C10 | N11 | C14 | 160.6° | 90.6° |
| C09 | C10 | N11 | H6 | 120.9° | 119.9° |
| C09 | C10 | N11 | H7 | 120.9° | 120.1° |
| C09 | C10 | H6 | H7 | 117.2° | 120.0° |
| C14 | N11 | C10 | H6 | 78.5° | 29.3° |
| C14 | N11 | C10 | H7 | 39.7° | 149.3° |
| C14 | N11 | C12 | H8 | 118.3° | 139.0° |
| C14 | N11 | C12 | H9 | 114.7° | 89.6° |
| N11 | C14 | H10 | H11 | 129.4° | 131.8° |
| N11 | C10 | H6 | H7 | 117.2° | 120.0° |
| C10 | N11 | C12 | H8 | 130.4° | 108.1° |
| C10 | N11 | C12 | H9 | 3.4° | 23.3° |
| C10 | N11 | C14 | H10 | 0.4° | 23.2° |
| C10 | N11 | C14 | H11 | 126.6° | 108.1° |
| H3 | C07 | H4 | H5 | 120.0° | 120.1° |
