W1P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C3 | sing | 1.51Å | 1.49Å | |
| C1 | N | doub | 1.28Å | 1.28Å | |
| C3 | C2 | sing | 1.52Å | 1.51Å | |
| N | N1 | sing | 1.39Å | 1.39Å | |
| C2 | N1 | sing | 1.35Å | 1.37Å | |
| C2 | O | doub | 1.21Å | 1.23Å | |
| N1 | C4 | sing | 1.40Å | 1.43Å | |
| C4 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C3 | 123.7° | 126.4° |
| C | C1 | N | 121.8° | 126.4° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C3 | C1 | N | 114.5° | 107.2° |
| C1 | C3 | C2 | 99.1° | 103.5° |
| C1 | C3 | H5 | 112.0° | 110.6° |
| C1 | C3 | H6 | 112.0° | 110.7° |
| C1 | N | N1 | 107.7° | 113.1° |
| C3 | C2 | N1 | 107.0° | 105.0° |
| C3 | C2 | O | 127.2° | 127.5° |
| C2 | C3 | H5 | 112.0° | 110.6° |
| C2 | C3 | H6 | 112.0° | 110.6° |
| N | N1 | C2 | 111.6° | 111.1° |
| N | N1 | C4 | 119.2° | 124.4° |
| N1 | C2 | O | 125.8° | 127.5° |
| C2 | N1 | C4 | 129.2° | 124.4° |
| N1 | C4 | C9 | 119.9° | 120.1° |
| N1 | C4 | C5 | 120.1° | 120.1° |
| C9 | C4 | C5 | 119.9° | 119.8° |
| C4 | C9 | C8 | 119.6° | 119.9° |
| C4 | C9 | H10 | 120.2° | 120.0° |
| C4 | C5 | C6 | 119.7° | 119.9° |
| C4 | C5 | H1 | 120.1° | 120.0° |
| C9 | C8 | C7 | 120.5° | 120.1° |
| C9 | C8 | H4 | 119.7° | 120.0° |
| C8 | C9 | H10 | 120.2° | 120.1° |
| C5 | C6 | C7 | 120.4° | 120.1° |
| C6 | C5 | H1 | 120.2° | 120.0° |
| C5 | C6 | H2 | 119.8° | 119.9° |
| C8 | C7 | C6 | 120.0° | 120.1° |
| C8 | C7 | H3 | 120.0° | 119.9° |
| C7 | C8 | H4 | 119.7° | 120.0° |
| C7 | C6 | H2 | 119.8° | 120.0° |
| C6 | C7 | H3 | 120.0° | 120.0° |
| H5 | C3 | H6 | 109.5° | 110.6° |
| H7 | C | H8 | 109.4° | 109.4° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C3 | N | 177.4° | 179.7° |
| C | C1 | C3 | C2 | 174.3° | 180.0° |
| C | C1 | N | N1 | 175.1° | 179.9° |
| C | C1 | C3 | H5 | 67.5° | 61.5° |
| C | C1 | C3 | H6 | 56.0° | 61.4° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 120.1° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C3 | C2 | H5 | 118.3° | 118.5° |
| C1 | C3 | C2 | H6 | 118.3° | 118.6° |
| C3 | C1 | N | N1 | 2.3° | 0.5° |
| C1 | C3 | C2 | N1 | 2.7° | 0.0° |
| C1 | C3 | C2 | O | 176.3° | 179.9° |
| C1 | C3 | H5 | H6 | 124.9° | 123.0° |
| C3 | C1 | C | H7 | 177.2° | 90.1° |
| C3 | C1 | C | H8 | 57.2° | 150.0° |
| C3 | C1 | C | H9 | 62.8° | 30.0° |
| N | C1 | C3 | C2 | 3.1° | 0.3° |
| C1 | N | N1 | C2 | 0.3° | 0.5° |
| C1 | N | N1 | C4 | 177.8° | 179.7° |
| N | C1 | C3 | H5 | 115.1° | 118.8° |
| N | C1 | C3 | H6 | 121.4° | 118.3° |
| N | C1 | C | H7 | 0.0° | 89.6° |
| N | C1 | C | H8 | 120.0° | 30.3° |
| N | C1 | C | H9 | 120.0° | 150.4° |
| C3 | C2 | N1 | N | 1.7° | 0.2° |
| C3 | C2 | N1 | O | 179.1° | 179.9° |
| C3 | C2 | N1 | C4 | 179.5° | 180.0° |
| C2 | C3 | H5 | H6 | 124.8° | 122.9° |
| N | N1 | C2 | C4 | 177.8° | 179.8° |
| N | N1 | C2 | O | 177.3° | 179.7° |
| N | N1 | C4 | C9 | 29.0° | 0.2° |
| N | N1 | C4 | C5 | 147.8° | 180.0° |
| C2 | N1 | C4 | C9 | 153.3° | 180.0° |
| C2 | N1 | C4 | C5 | 29.9° | 0.2° |
| N1 | C2 | C3 | H5 | 115.6° | 118.5° |
| N1 | C2 | C3 | H6 | 121.0° | 118.6° |
| O | C2 | N1 | C4 | 0.5° | 0.1° |
| O | C2 | C3 | H5 | 65.4° | 61.6° |
| O | C2 | C3 | H6 | 58.0° | 61.3° |
| N1 | C4 | C9 | C5 | 176.8° | 179.8° |
| N1 | C4 | C9 | C8 | 176.7° | 179.8° |
| N1 | C4 | C5 | C6 | 176.1° | 180.0° |
| N1 | C4 | C5 | H1 | 3.9° | 0.1° |
| N1 | C4 | C9 | H10 | 3.3° | 0.0° |
| C4 | C9 | C8 | H10 | 180.0° | 179.8° |
| C9 | C4 | C5 | C6 | 0.7° | 0.2° |
| C4 | C9 | C8 | C7 | 0.5° | 0.5° |
| C9 | C4 | C5 | H1 | 179.3° | 179.8° |
| C4 | C9 | C8 | H4 | 179.5° | 179.7° |
| C5 | C4 | C9 | C8 | 0.1° | 0.5° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.7° | 0.0° |
| C4 | C5 | C6 | H2 | 179.3° | 180.0° |
| C5 | C4 | C9 | H10 | 179.9° | 179.7° |
| C9 | C8 | C7 | H4 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 0.5° | 0.2° |
| C9 | C8 | C7 | H3 | 179.5° | 179.8° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H3 | 179.9° | 179.9° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | H2 | 179.9° | 180.0° |
| C7 | C8 | C9 | H10 | 179.5° | 179.7° |
| C7 | C6 | C5 | H1 | 179.3° | 179.9° |
| C6 | C7 | C8 | H4 | 179.5° | 179.9° |
| H1 | C5 | C6 | H2 | 0.7° | 0.1° |
| H2 | C6 | C7 | H3 | 0.1° | 0.1° |
| H3 | C7 | C8 | H4 | 0.5° | 0.0° |
| H4 | C8 | C9 | H10 | 0.5° | 0.1° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
