W6W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | BR | sing | 1.89Å | 1.94Å | |
| C5 | C4 | sing | 1.51Å | 1.47Å | |
| C4 | N | sing | 1.47Å | 1.57Å | |
| C1 | N | sing | 1.47Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N | C | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.55Å | |
| N1 | C3 | sing | 1.35Å | 1.37Å | |
| C3 | O | doub | 1.21Å | 1.25Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C8 | C7 | C6 | 121.0° | 120.0° |
| C8 | C7 | H3 | 119.5° | 120.0° |
| C7 | C8 | H4 | 119.8° | 120.0° |
| C8 | C9 | C10 | 118.0° | 120.0° |
| C9 | C8 | H4 | 119.7° | 120.0° |
| C8 | C9 | H5 | 121.0° | 120.0° |
| C7 | C6 | C5 | 119.3° | 120.0° |
| C6 | C7 | H3 | 119.5° | 119.9° |
| C7 | C6 | H8 | 120.4° | 120.0° |
| C9 | C10 | C5 | 122.7° | 120.0° |
| C9 | C10 | BR | 113.9° | 120.0° |
| C10 | C9 | H5 | 121.0° | 120.0° |
| C6 | C5 | C10 | 118.5° | 120.0° |
| C6 | C5 | C4 | 118.0° | 120.0° |
| C5 | C6 | H8 | 120.3° | 120.0° |
| C5 | C10 | BR | 123.4° | 120.0° |
| C10 | C5 | C4 | 123.4° | 120.0° |
| C5 | C4 | N | 107.4° | 109.5° |
| C5 | C4 | H9 | 110.0° | 109.4° |
| C5 | C4 | H10 | 110.0° | 109.5° |
| C4 | N | C1 | 112.9° | 111.0° |
| C4 | N | C | 107.1° | 110.9° |
| N | C4 | H9 | 110.0° | 109.4° |
| N | C4 | H10 | 110.0° | 109.5° |
| N | C1 | C2 | 116.6° | 109.5° |
| C1 | N | C | 111.3° | 111.0° |
| N | C1 | H6 | 107.7° | 109.5° |
| N | C1 | H7 | 107.7° | 109.5° |
| C1 | C2 | C3 | 107.3° | 109.5° |
| C2 | C1 | H6 | 107.7° | 109.5° |
| C2 | C1 | H7 | 107.7° | 109.5° |
| C1 | C2 | H11 | 110.0° | 109.5° |
| C1 | C2 | H12 | 110.0° | 109.5° |
| N | C | H14 | 109.5° | 109.5° |
| N | C | H15 | 109.5° | 109.5° |
| N | C | H16 | 109.5° | 109.4° |
| C2 | C3 | N1 | 117.4° | 120.0° |
| C2 | C3 | O | 121.1° | 119.9° |
| C3 | C2 | H11 | 110.0° | 109.5° |
| C3 | C2 | H12 | 110.0° | 109.4° |
| N1 | C3 | O | 121.5° | 120.0° |
| C3 | N1 | H1 | 120.0° | 119.9° |
| C3 | N1 | H2 | 120.0° | 120.1° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.4° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.0° | 0.1° |
| C8 | C7 | C6 | C5 | 0.2° | 0.3° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H8 | 179.8° | 179.7° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.1° | 0.4° |
| C8 | C9 | C10 | BR | 179.8° | 180.0° |
| C9 | C8 | C7 | H3 | 180.0° | 179.7° |
| C7 | C6 | C5 | H8 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.3° | 0.5° |
| C7 | C6 | C5 | C4 | 176.7° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C9 | C10 | C5 | C6 | 0.3° | 0.6° |
| C9 | C10 | C5 | BR | 179.6° | 179.7° |
| C9 | C10 | C5 | C4 | 176.6° | 179.9° |
| C10 | C9 | C8 | H4 | 180.0° | 179.9° |
| C6 | C5 | C10 | C4 | 176.8° | 179.5° |
| C6 | C5 | C10 | BR | 179.9° | 179.8° |
| C6 | C5 | C4 | N | 97.4° | 105.0° |
| C5 | C6 | C7 | H3 | 179.8° | 179.9° |
| C6 | C5 | C4 | H9 | 142.9° | 135.0° |
| C6 | C5 | C4 | H10 | 22.3° | 15.0° |
| C10 | C5 | C4 | N | 79.4° | 75.5° |
| C5 | C10 | C9 | H5 | 179.9° | 179.7° |
| C10 | C5 | C6 | H8 | 179.7° | 179.4° |
| C10 | C5 | C4 | H9 | 40.3° | 44.4° |
| C10 | C5 | C4 | H10 | 160.9° | 164.5° |
| BR | C10 | C5 | C4 | 3.1° | 0.3° |
| BR | C10 | C9 | H5 | 0.2° | 0.0° |
| C5 | C4 | N | H9 | 119.7° | 120.0° |
| C5 | C4 | N | H10 | 119.7° | 120.0° |
| C5 | C4 | N | C1 | 16.0° | 170.0° |
| C5 | C4 | N | C | 138.9° | 66.1° |
| C4 | C5 | C6 | H8 | 3.3° | 0.0° |
| C5 | C4 | H9 | H10 | 120.9° | 120.0° |
| C4 | N | C1 | C | 120.5° | 123.9° |
| C4 | N | C1 | C2 | 149.5° | 170.0° |
| C4 | N | C1 | H6 | 89.5° | 70.0° |
| C4 | N | C1 | H7 | 28.4° | 50.0° |
| N | C4 | H9 | H10 | 121.0° | 120.0° |
| C4 | N | C | H14 | 180.0° | 64.0° |
| C4 | N | C | H15 | 60.0° | 56.1° |
| C4 | N | C | H16 | 60.0° | 176.0° |
| N | C1 | C2 | H6 | 121.0° | 120.0° |
| N | C1 | C2 | H7 | 121.0° | 120.0° |
| N | C1 | C2 | C3 | 104.6° | 180.0° |
| N | C1 | H6 | H7 | 116.8° | 120.0° |
| C1 | N | C4 | H9 | 103.7° | 50.0° |
| C1 | N | C4 | H10 | 135.7° | 70.0° |
| N | C1 | C2 | H11 | 135.7° | 60.0° |
| N | C1 | C2 | H12 | 15.1° | 60.0° |
| C1 | N | C | H14 | 56.2° | 60.0° |
| C1 | N | C | H15 | 63.8° | 180.0° |
| C1 | N | C | H16 | 176.2° | 60.0° |
| C2 | C1 | N | C | 29.0° | 66.1° |
| C1 | C2 | C3 | H11 | 119.7° | 120.0° |
| C1 | C2 | C3 | H12 | 119.7° | 120.1° |
| C1 | C2 | C3 | N1 | 116.2° | 180.0° |
| C1 | C2 | C3 | O | 63.6° | 0.0° |
| C2 | C1 | H6 | H7 | 116.8° | 120.0° |
| C1 | C2 | H11 | H12 | 121.0° | 120.0° |
| C | N | C1 | H6 | 150.0° | 53.9° |
| C | N | C1 | H7 | 92.0° | 173.9° |
| C | N | C4 | H9 | 19.2° | 173.9° |
| C | N | C4 | H10 | 101.5° | 53.9° |
| N | C | H14 | H15 | 120.0° | 120.0° |
| N | C | H14 | H16 | 120.0° | 120.0° |
| N | C | H15 | H16 | 120.0° | 119.9° |
| C2 | C3 | N1 | O | 179.8° | 180.0° |
| C2 | C3 | N1 | H1 | 179.8° | 180.0° |
| C2 | C3 | N1 | H2 | 0.2° | 0.3° |
| C3 | C2 | C1 | H6 | 16.5° | 60.0° |
| C3 | C2 | C1 | H7 | 134.4° | 60.0° |
| C3 | C2 | H11 | H12 | 121.0° | 119.9° |
| C3 | N1 | H1 | H2 | 180.0° | 179.7° |
| N1 | C3 | C2 | H11 | 3.5° | 60.0° |
| N1 | C3 | C2 | H12 | 124.2° | 59.9° |
| O | C3 | N1 | H1 | 0.0° | 0.0° |
| O | C3 | N1 | H2 | 180.0° | 179.7° |
| O | C3 | C2 | H11 | 176.7° | 120.0° |
| O | C3 | C2 | H12 | 56.0° | 120.1° |
| H3 | C7 | C8 | H4 | 0.0° | 0.3° |
| H3 | C7 | C6 | H8 | 0.2° | 0.0° |
| H4 | C8 | C9 | H5 | 0.0° | 0.0° |
| H6 | C1 | C2 | H11 | 103.2° | 60.0° |
| H6 | C1 | C2 | H12 | 136.1° | 180.0° |
| H7 | C1 | C2 | H11 | 14.7° | NaN° |
| H7 | C1 | C2 | H12 | 106.0° | 60.0° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
