WKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR7 | C06 | sing | 1.89Å | 1.92Å | |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.51Å | 1.52Å | |
| C09 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| N11 | C12 | sing | 1.35Å | 1.46Å | |
| N11 | C10 | sing | 1.46Å | 1.46Å | |
| C03 | O02 | sing | 1.36Å | 1.41Å | |
| C12 | O13 | doub | 1.21Å | 1.19Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR7 | C06 | C05 | 118.6° | 120.0° |
| BR7 | C06 | C08 | 121.0° | 119.9° |
| C05 | C06 | C08 | 120.4° | 120.1° |
| C06 | C05 | C04 | 120.5° | 120.1° |
| C06 | C05 | H7 | 119.8° | 120.0° |
| C06 | C08 | C09 | 119.1° | 120.0° |
| C06 | C08 | H8 | 120.4° | 120.0° |
| C05 | C04 | C03 | 120.1° | 119.9° |
| C05 | C04 | H6 | 120.0° | 120.1° |
| C04 | C05 | H7 | 119.7° | 120.0° |
| C08 | C09 | C03 | 120.5° | 120.0° |
| C08 | C09 | C10 | 122.0° | 120.0° |
| C09 | C08 | H8 | 120.4° | 120.0° |
| C04 | C03 | C09 | 119.3° | 119.9° |
| C04 | C03 | O02 | 123.1° | 120.1° |
| C03 | C04 | H6 | 119.9° | 120.0° |
| C14 | C12 | N11 | 120.0° | 120.0° |
| C14 | C12 | O13 | 120.2° | 120.0° |
| C12 | C14 | H9 | 109.5° | 109.4° |
| C12 | C14 | H10 | 109.5° | 109.4° |
| C12 | C14 | H11 | 109.4° | 109.5° |
| C03 | C09 | C10 | 117.5° | 120.0° |
| C09 | C03 | O02 | 117.6° | 120.0° |
| C09 | C10 | N11 | 111.5° | 109.5° |
| C09 | C10 | H1 | 109.0° | 109.5° |
| C09 | C10 | H2 | 109.0° | 109.5° |
| C12 | N11 | C10 | 120.9° | 120.0° |
| N11 | C12 | O13 | 119.8° | 120.0° |
| C12 | N11 | H12 | 119.6° | 119.9° |
| N11 | C10 | H1 | 108.9° | 109.5° |
| N11 | C10 | H2 | 109.0° | 109.5° |
| C10 | N11 | H12 | 119.6° | 120.1° |
| C03 | O02 | C01 | 118.0° | 117.0° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR7 | C06 | C05 | C08 | 179.7° | 179.9° |
| BR7 | C06 | C05 | C04 | 179.0° | 180.0° |
| BR7 | C06 | C08 | C09 | 179.0° | 179.8° |
| BR7 | C06 | C05 | H7 | 1.0° | 0.1° |
| BR7 | C06 | C08 | H8 | 1.0° | 0.1° |
| C06 | C05 | C04 | H7 | 180.0° | 179.9° |
| C05 | C06 | C08 | C09 | 0.7° | 0.2° |
| C06 | C05 | C04 | C03 | 0.6° | 0.1° |
| C06 | C05 | C04 | H6 | 179.4° | 180.0° |
| C05 | C06 | C08 | H8 | 179.3° | 180.0° |
| C08 | C06 | C05 | C04 | 0.7° | 0.1° |
| C06 | C08 | C09 | H8 | 180.0° | 179.8° |
| C06 | C08 | C09 | C03 | 0.6° | 0.5° |
| C06 | C08 | C09 | C10 | 179.2° | 180.0° |
| C08 | C06 | C05 | H7 | 179.3° | 180.0° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C05 | C04 | C03 | C09 | 0.5° | 0.2° |
| C05 | C04 | C03 | O02 | 179.6° | 179.9° |
| C08 | C09 | C03 | C04 | 0.5° | 0.5° |
| C08 | C09 | C03 | C10 | 178.7° | 179.5° |
| C08 | C09 | C10 | N11 | 9.1° | 100.0° |
| C08 | C09 | C03 | O02 | 179.6° | 179.8° |
| C08 | C09 | C10 | H1 | 111.2° | 20.1° |
| C08 | C09 | C10 | H2 | 129.4° | 140.0° |
| C04 | C03 | C09 | O02 | 179.2° | 179.7° |
| C04 | C03 | C09 | C10 | 179.2° | 180.0° |
| C04 | C03 | O02 | C01 | 1.1° | 0.0° |
| C03 | C04 | C05 | H7 | 179.4° | 180.0° |
| C14 | C12 | N11 | O13 | 179.7° | 180.0° |
| C14 | C12 | N11 | C10 | 179.7° | 180.0° |
| C12 | C14 | H9 | H10 | 120.0° | 119.9° |
| C12 | C14 | H9 | H11 | 120.0° | 120.0° |
| C12 | C14 | H10 | H11 | 120.0° | 120.0° |
| C14 | C12 | N11 | H12 | 0.3° | 0.0° |
| C03 | C09 | C10 | N11 | 169.6° | 79.5° |
| C09 | C03 | O02 | C01 | 178.0° | 179.7° |
| C03 | C09 | C10 | H1 | 70.2° | 160.4° |
| C03 | C09 | C10 | H2 | 49.2° | 40.6° |
| C09 | C03 | C04 | H6 | 179.5° | 179.7° |
| C03 | C09 | C08 | H8 | 179.4° | 179.7° |
| C09 | C10 | N11 | C12 | 120.6° | 180.0° |
| C09 | C10 | N11 | H1 | 120.3° | 120.0° |
| C09 | C10 | N11 | H2 | 120.3° | 120.0° |
| C10 | C09 | C03 | O02 | 1.7° | 0.3° |
| C09 | C10 | H1 | H2 | 119.1° | 119.9° |
| C10 | C09 | C08 | H8 | 0.8° | 0.2° |
| C09 | C10 | N11 | H12 | 59.5° | 0.0° |
| C12 | N11 | C10 | H12 | 180.0° | 180.0° |
| C12 | N11 | C10 | H1 | 0.3° | 60.0° |
| C12 | N11 | C10 | H2 | 119.1° | 60.0° |
| N11 | C12 | C14 | H9 | 179.7° | 180.0° |
| N11 | C12 | C14 | H10 | 59.7° | 60.0° |
| N11 | C12 | C14 | H11 | 60.3° | 60.0° |
| C10 | N11 | C12 | O13 | 0.0° | 0.0° |
| N11 | C10 | H1 | H2 | 119.1° | 120.0° |
| C03 | O02 | C01 | H3 | 180.0° | 60.0° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| C03 | O02 | C01 | H5 | 60.0° | 180.0° |
| O02 | C03 | C04 | H6 | 0.4° | 0.0° |
| O13 | C12 | C14 | H9 | 0.0° | 0.0° |
| O13 | C12 | C14 | H10 | 120.0° | 120.0° |
| O13 | C12 | C14 | H11 | 120.0° | 120.0° |
| O13 | C12 | N11 | H12 | 179.9° | 180.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| H1 | C10 | N11 | H12 | 179.8° | 120.0° |
| H2 | C10 | N11 | H12 | 60.9° | 120.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C04 | C05 | H7 | 0.6° | 0.1° |
| H9 | C14 | H10 | H11 | 120.0° | 120.0° |
