KW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | F12 | sing | 1.35Å | 1.37Å | |
| C06 | C02 | sing | 1.48Å | 1.53Å | |
| C02 | C05 | doub | 1.36Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.39Å | Aromatic |
| C05 | N04 | sing | 1.35Å | 1.32Å | Aromatic |
| C03 | N09 | sing | 1.39Å | 1.44Å | |
| C03 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| N04 | C01 | sing | 1.39Å | 1.33Å | Aromatic |
| C01 | C07 | sing | 1.41Å | 1.55Å | |
| C07 | O10 | doub | 1.22Å | 1.20Å | |
| C07 | O11 | sing | 1.35Å | 1.41Å | |
| O11 | C15 | sing | 1.43Å | 1.42Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| N04 | H9 | sing | 0.97Å | 1.00Å | |
| N09 | H10 | sing | 0.97Å | 1.00Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C14 | 119.1° | 120.3° |
| C17 | C16 | C13 | 121.3° | 120.2° |
| C16 | C17 | H5 | 120.5° | 119.9° |
| C17 | C16 | H8 | 119.3° | 120.0° |
| C17 | C14 | C08 | 119.7° | 120.1° |
| C14 | C17 | H5 | 120.5° | 119.8° |
| C17 | C14 | H7 | 120.1° | 120.0° |
| C16 | C13 | C06 | 119.5° | 119.9° |
| C16 | C13 | H1 | 120.3° | 120.1° |
| C13 | C16 | H8 | 119.4° | 119.9° |
| C14 | C08 | C06 | 121.6° | 119.9° |
| C14 | C08 | F12 | 119.4° | 120.1° |
| C08 | C14 | H7 | 120.2° | 120.0° |
| C13 | C06 | C08 | 118.9° | 119.7° |
| C13 | C06 | C02 | 120.2° | 120.1° |
| C06 | C13 | H1 | 120.3° | 120.0° |
| C06 | C08 | F12 | 119.0° | 120.0° |
| C08 | C06 | C02 | 120.9° | 120.2° |
| C06 | C02 | C05 | 126.2° | 126.2° |
| C06 | C02 | C03 | 128.6° | 126.2° |
| C05 | C02 | C03 | 105.1° | 107.6° |
| C02 | C05 | N04 | 109.3° | 109.1° |
| C02 | C05 | H6 | 125.4° | 125.4° |
| C02 | C03 | N09 | 126.1° | 126.6° |
| C02 | C03 | C01 | 107.8° | 106.9° |
| C05 | N04 | C01 | 110.8° | 108.9° |
| N04 | C05 | H6 | 125.4° | 125.4° |
| C05 | N04 | H9 | 124.6° | 125.6° |
| N09 | C03 | C01 | 126.1° | 126.6° |
| C03 | N09 | H10 | 109.5° | 120.0° |
| C03 | N09 | H11 | 109.5° | 120.0° |
| C03 | C01 | N04 | 107.0° | 107.5° |
| C03 | C01 | C07 | 127.4° | 126.2° |
| N04 | C01 | C07 | 125.6° | 126.2° |
| C01 | N04 | H9 | 124.6° | 125.5° |
| C01 | C07 | O10 | 123.0° | 120.0° |
| C01 | C07 | O11 | 120.9° | 120.0° |
| O10 | C07 | O11 | 116.1° | 120.0° |
| C07 | O11 | C15 | 114.3° | 117.0° |
| O11 | C15 | H2 | 109.5° | 109.5° |
| O11 | C15 | H3 | 109.5° | 109.5° |
| O11 | C15 | H4 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.4° | 109.5° |
| H2 | C15 | H4 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H10 | N09 | H11 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C14 | H5 | 180.0° | 179.5° |
| C17 | C16 | C13 | H8 | 180.0° | 179.4° |
| C16 | C17 | C14 | C08 | 0.7° | 0.3° |
| C17 | C16 | C13 | C06 | 0.7° | 0.6° |
| C17 | C16 | C13 | H1 | 179.3° | 179.8° |
| C16 | C17 | C14 | H7 | 179.3° | 180.0° |
| C14 | C17 | C16 | C13 | 0.1° | 0.6° |
| C17 | C14 | C08 | H7 | 180.0° | 179.7° |
| C17 | C14 | C08 | C06 | 0.9° | 0.1° |
| C17 | C14 | C08 | F12 | 179.5° | 180.0° |
| C14 | C17 | C16 | H8 | 180.0° | 180.0° |
| C16 | C13 | C06 | H1 | 180.0° | 179.7° |
| C16 | C13 | C06 | C08 | 0.5° | 0.3° |
| C16 | C13 | C06 | C02 | 179.1° | 179.7° |
| C13 | C16 | C17 | H5 | 179.9° | 180.0° |
| C14 | C08 | C06 | C13 | 0.3° | 0.1° |
| C14 | C08 | C06 | F12 | 179.7° | 180.0° |
| C14 | C08 | C06 | C02 | 179.8° | 180.0° |
| C08 | C14 | C17 | H5 | 179.3° | 179.8° |
| C13 | C06 | C08 | C02 | 179.6° | 179.9° |
| C13 | C06 | C08 | F12 | 179.9° | 179.9° |
| C13 | C06 | C02 | C05 | 51.4° | 65.0° |
| C13 | C06 | C02 | C03 | 126.6° | 115.0° |
| C06 | C13 | C16 | H8 | 179.3° | 180.0° |
| C08 | C06 | C02 | C05 | 128.2° | 115.0° |
| C08 | C06 | C02 | C03 | 53.8° | 64.9° |
| C08 | C06 | C13 | H1 | 179.5° | 180.0° |
| C06 | C08 | C14 | H7 | 179.1° | 179.8° |
| F12 | C08 | C06 | C02 | 0.5° | 0.0° |
| F12 | C08 | C14 | H7 | 0.5° | 0.2° |
| C06 | C02 | C05 | C03 | 178.4° | 180.0° |
| C06 | C02 | C05 | N04 | 178.6° | 180.0° |
| C06 | C02 | C03 | N09 | 0.9° | 0.2° |
| C06 | C02 | C03 | C01 | 178.5° | 179.8° |
| C02 | C06 | C13 | H1 | 0.9° | 0.1° |
| C06 | C02 | C05 | H6 | 1.4° | 0.0° |
| C02 | C05 | N04 | H6 | 180.0° | 180.0° |
| C05 | C02 | C03 | N09 | 179.2° | 179.8° |
| C05 | C02 | C03 | C01 | 0.2° | 0.1° |
| C02 | C05 | N04 | C01 | 0.1° | 0.1° |
| C02 | C05 | N04 | H9 | 179.8° | 180.0° |
| C03 | C02 | C05 | N04 | 0.2° | 0.0° |
| C02 | C03 | N09 | C01 | 179.4° | 179.9° |
| C02 | C03 | C01 | N04 | 0.1° | 0.2° |
| C02 | C03 | C01 | C07 | 179.9° | 180.0° |
| C03 | C02 | C05 | H6 | 179.8° | 180.0° |
| C02 | C03 | N09 | H10 | 180.0° | 0.1° |
| C02 | C03 | N09 | H11 | 60.0° | 180.0° |
| C05 | N04 | C01 | C03 | 0.0° | 0.2° |
| C05 | N04 | C01 | H9 | 180.0° | 179.9° |
| C05 | N04 | C01 | C07 | 179.7° | 180.0° |
| N09 | C03 | C01 | N04 | 179.3° | 179.7° |
| N09 | C03 | C01 | C07 | 0.4° | 0.1° |
| C03 | N09 | H10 | H11 | 120.0° | 180.0° |
| C03 | C01 | N04 | C07 | 179.7° | 179.8° |
| C03 | C01 | C07 | O10 | 9.5° | 0.1° |
| C03 | C01 | C07 | O11 | 171.5° | 180.0° |
| C03 | C01 | N04 | H9 | 180.0° | 179.9° |
| C01 | C03 | N09 | H10 | 0.6° | 180.0° |
| C01 | C03 | N09 | H11 | 120.6° | 0.0° |
| N04 | C01 | C07 | O10 | 170.1° | 179.7° |
| N04 | C01 | C07 | O11 | 8.9° | 0.2° |
| C01 | N04 | C05 | H6 | 179.9° | 179.8° |
| C01 | C07 | O10 | O11 | 179.0° | 180.0° |
| C01 | C07 | O11 | C15 | 173.4° | 179.9° |
| C07 | C01 | N04 | H9 | 0.3° | 0.1° |
| O10 | C07 | O11 | C15 | 7.5° | 0.0° |
| C07 | O11 | C15 | H2 | 180.0° | 60.0° |
| C07 | O11 | C15 | H3 | 60.0° | 60.0° |
| C07 | O11 | C15 | H4 | 60.0° | 180.0° |
| O11 | C15 | H2 | H3 | 120.0° | 120.0° |
| O11 | C15 | H2 | H4 | 120.0° | 120.0° |
| O11 | C15 | H3 | H4 | 120.0° | 120.0° |
| H1 | C13 | C16 | H8 | 0.7° | 0.3° |
| H2 | C15 | H3 | H4 | 120.0° | 119.9° |
| H5 | C17 | C14 | H7 | 0.7° | 0.5° |
| H5 | C17 | C16 | H8 | 0.1° | 0.6° |
| H6 | C05 | N04 | H9 | 0.2° | 0.0° |
