W6L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.52Å | |
| N | C8 | trip | 1.14Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | N1 | sing | 1.47Å | 1.45Å | |
| C8 | C7 | sing | 1.47Å | 1.46Å | |
| N1 | H9 | sing | 1.01Å | 1.00Å | |
| N1 | H10 | sing | 1.01Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 120.3° | 120.1° |
| C1 | C | C5 | 119.4° | 120.0° |
| C | C1 | H2 | 119.9° | 120.0° |
| C1 | C | H1 | 120.3° | 120.1° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C2 | C1 | H2 | 119.8° | 120.0° |
| C1 | C2 | H3 | 119.7° | 120.0° |
| C | C5 | C4 | 120.7° | 120.0° |
| C | C5 | H5 | 119.7° | 120.0° |
| C5 | C | H1 | 120.3° | 120.0° |
| C2 | C3 | C4 | 118.0° | 120.1° |
| C2 | C3 | C6 | 122.2° | 120.0° |
| C3 | C2 | H3 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.9° | 120.0° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C4 | C3 | C6 | 119.8° | 120.0° |
| C3 | C4 | H4 | 119.5° | 120.0° |
| C3 | C6 | C7 | 115.1° | 109.5° |
| C3 | C6 | N1 | 109.4° | 109.4° |
| C3 | C6 | H | 107.9° | 109.5° |
| N | C8 | C7 | 178.0° | 179.9° |
| C7 | C6 | N1 | 107.9° | 109.5° |
| C6 | C7 | C8 | 120.8° | 109.5° |
| C6 | C7 | H6 | 106.6° | 109.5° |
| C6 | C7 | H7 | 106.6° | 109.5° |
| C7 | C6 | H | 107.5° | 109.5° |
| C6 | N1 | H9 | 109.5° | 111.0° |
| C6 | N1 | H10 | 109.5° | 111.0° |
| N1 | C6 | H | 108.8° | 109.5° |
| C8 | C7 | H6 | 106.6° | 109.5° |
| C8 | C7 | H7 | 106.6° | 109.5° |
| H9 | N1 | H10 | 109.4° | 111.1° |
| H6 | C7 | H7 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H2 | 180.0° | 179.7° |
| C1 | C | C5 | H1 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | C | C5 | C4 | 0.5° | 0.1° |
| C1 | C | C5 | H5 | 179.5° | 179.9° |
| C | C1 | C2 | H3 | 179.6° | 180.0° |
| C2 | C1 | C | C5 | 1.0° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.7° | 0.0° |
| C1 | C2 | C3 | C6 | 179.8° | 180.0° |
| C2 | C1 | C | H1 | 179.0° | 180.0° |
| C | C5 | C4 | H5 | 180.0° | 180.0° |
| C | C5 | C4 | C3 | 2.7° | 0.1° |
| C5 | C | C1 | H2 | 179.0° | 179.6° |
| C | C5 | C4 | H4 | 177.3° | 180.0° |
| C2 | C3 | C4 | C5 | 3.2° | 0.0° |
| C2 | C3 | C4 | C6 | 178.6° | 179.9° |
| C2 | C3 | C6 | C7 | 142.9° | 79.9° |
| C2 | C3 | C6 | N1 | 95.4° | 40.0° |
| C3 | C2 | C1 | H2 | 179.6° | 179.7° |
| C2 | C3 | C6 | H | 22.8° | 160.0° |
| C2 | C3 | C4 | H4 | 176.8° | 179.9° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C6 | 178.3° | 180.0° |
| C4 | C5 | C | H1 | 179.5° | 180.0° |
| C4 | C3 | C6 | C7 | 35.6° | 100.0° |
| C4 | C3 | C6 | N1 | 86.1° | 140.0° |
| C3 | C4 | C5 | H5 | 177.3° | 180.0° |
| C4 | C3 | C6 | H | 155.7° | 20.0° |
| C4 | C3 | C2 | H3 | 178.4° | 180.0° |
| C3 | C6 | C7 | N1 | 122.5° | 119.9° |
| C3 | C6 | C7 | H | 120.3° | 120.0° |
| C3 | C6 | N1 | H | 117.7° | 120.0° |
| C3 | C6 | C7 | C8 | 34.0° | 175.0° |
| C3 | C6 | N1 | H9 | 180.0° | 60.0° |
| C3 | C6 | N1 | H10 | 60.0° | 64.0° |
| C3 | C6 | C7 | H6 | 87.6° | 65.0° |
| C3 | C6 | C7 | H7 | 155.6° | 55.0° |
| C6 | C3 | C4 | H4 | 1.8° | 0.1° |
| C6 | C3 | C2 | H3 | 0.2° | 0.1° |
| N | C8 | C7 | C6 | 160.5° | 119.5° |
| N | C8 | C7 | H6 | 38.9° | 120.6° |
| N | C8 | C7 | H7 | 77.9° | 0.6° |
| C7 | C6 | N1 | H | 116.4° | 120.1° |
| C6 | C7 | C8 | H6 | 121.6° | 120.0° |
| C6 | C7 | C8 | H7 | 121.6° | 120.0° |
| C7 | C6 | N1 | H9 | 54.1° | 59.9° |
| C7 | C6 | N1 | H10 | 65.9° | 176.0° |
| C6 | C7 | H6 | H7 | 114.9° | 120.0° |
| N1 | C6 | C7 | C8 | 156.5° | 65.0° |
| C6 | N1 | H9 | H10 | 120.0° | 124.0° |
| N1 | C6 | C7 | H6 | 34.9° | 55.0° |
| N1 | C6 | C7 | H7 | 81.9° | 174.9° |
| C8 | C7 | H6 | H7 | 114.9° | 120.0° |
| C8 | C7 | C6 | H | 86.3° | 55.0° |
| H9 | N1 | C6 | H | 62.3° | 180.0° |
| H10 | N1 | C6 | H | 177.7° | 55.9° |
| H6 | C7 | C6 | H | 152.1° | 175.0° |
| H7 | C7 | C6 | H | 35.3° | 65.0° |
| H2 | C1 | C2 | H3 | 0.4° | 0.3° |
| H2 | C1 | C | H1 | 1.0° | 0.3° |
| H5 | C5 | C4 | H4 | 2.7° | 0.0° |
| H5 | C5 | C | H1 | 0.5° | 0.0° |






