WGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.46Å | 1.48Å | |
| C1 | N | sing | 1.47Å | 1.49Å | |
| N | C2 | sing | 1.35Å | 1.39Å | |
| C2 | O | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C4 | N1 | sing | 1.40Å | 1.41Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 116.4° | 120.0° |
| C | N | C2 | 123.6° | 120.0° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H | 109.5° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| C1 | N | C2 | 120.0° | 119.9° |
| N | C1 | H4 | 109.5° | 109.5° |
| N | C1 | H5 | 109.5° | 109.4° |
| N | C1 | H3 | 109.5° | 109.5° |
| N | C2 | O | 121.8° | 120.0° |
| N | C2 | C3 | 120.4° | 120.0° |
| O | C2 | C3 | 117.8° | 119.9° |
| C2 | C3 | N1 | 104.2° | 109.5° |
| C2 | C3 | H7 | 110.8° | 109.4° |
| C2 | C3 | H6 | 110.7° | 109.5° |
| C3 | N1 | C4 | 125.1° | 120.0° |
| C3 | N1 | H8 | 105.4° | 120.0° |
| N1 | C3 | H7 | 110.8° | 109.5° |
| N1 | C3 | H6 | 110.8° | 109.5° |
| N1 | C4 | C5 | 120.1° | 120.1° |
| N1 | C4 | C9 | 119.7° | 120.1° |
| C4 | N1 | H8 | 105.4° | 120.0° |
| C4 | C5 | C6 | 119.0° | 119.9° |
| C5 | C4 | C9 | 120.1° | 119.8° |
| C4 | C5 | H9 | 120.5° | 120.0° |
| C5 | C6 | C7 | 120.5° | 120.1° |
| C6 | C5 | H9 | 120.5° | 120.1° |
| C5 | C6 | H10 | 119.8° | 119.9° |
| C6 | C7 | C8 | 119.8° | 120.1° |
| C7 | C6 | H10 | 119.7° | 119.9° |
| C6 | C7 | H11 | 120.1° | 119.9° |
| C7 | C8 | C9 | 120.8° | 120.0° |
| C8 | C7 | H11 | 120.1° | 119.9° |
| C7 | C8 | H12 | 119.6° | 119.9° |
| C8 | C9 | C4 | 119.8° | 120.0° |
| C9 | C8 | H12 | 119.6° | 120.0° |
| C8 | C9 | H13 | 120.1° | 120.0° |
| C4 | C9 | H13 | 120.1° | 120.1° |
| H1 | C | H | 109.5° | 109.4° |
| H1 | C | H2 | 109.5° | 109.5° |
| H | C | H2 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| H5 | C1 | H3 | 109.5° | 109.5° |
| H7 | C3 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C2 | 179.3° | 180.0° |
| C | N | C2 | O | 178.6° | 0.0° |
| C | N | C2 | C3 | 0.8° | 180.0° |
| N | C | H1 | H | 120.0° | 120.0° |
| N | C | H1 | H2 | 120.0° | 120.0° |
| N | C | H | H2 | 120.0° | 120.0° |
| C | N | C1 | H4 | 180.0° | 180.0° |
| C | N | C1 | H5 | 60.0° | 60.0° |
| C | N | C1 | H3 | 60.0° | 60.0° |
| C1 | N | C2 | O | 2.2° | 180.0° |
| C1 | N | C2 | C3 | 178.4° | 0.0° |
| C1 | N | C | H1 | 180.0° | 89.9° |
| C1 | N | C | H | 60.0° | 30.0° |
| C1 | N | C | H2 | 60.0° | 150.0° |
| N | C1 | H4 | H5 | 120.0° | 120.0° |
| N | C1 | H4 | H3 | 120.0° | 120.0° |
| N | C1 | H5 | H3 | 120.0° | 119.9° |
| N | C2 | O | C3 | 179.4° | 180.0° |
| N | C2 | C3 | N1 | 168.3° | 180.0° |
| C2 | N | C | H1 | 0.8° | 90.1° |
| C2 | N | C | H | 120.8° | 150.0° |
| C2 | N | C | H2 | 119.3° | 30.0° |
| C2 | N | C1 | H4 | 0.7° | 0.0° |
| C2 | N | C1 | H5 | 119.3° | 120.0° |
| C2 | N | C1 | H3 | 120.7° | 120.0° |
| N | C2 | C3 | H7 | 49.1° | 60.0° |
| N | C2 | C3 | H6 | 72.5° | 60.0° |
| O | C2 | C3 | N1 | 11.1° | 0.0° |
| O | C2 | C3 | H7 | 130.3° | 120.0° |
| O | C2 | C3 | H6 | 108.0° | 120.0° |
| C2 | C3 | N1 | H7 | 119.2° | 120.0° |
| C2 | C3 | N1 | H6 | 119.1° | 120.0° |
| C2 | C3 | N1 | C4 | 85.5° | 179.7° |
| C2 | C3 | N1 | H8 | 152.4° | 0.0° |
| C2 | C3 | H7 | H6 | 122.4° | 120.0° |
| C3 | N1 | C4 | H8 | 122.1° | 179.7° |
| C3 | N1 | C4 | C5 | 2.9° | 180.0° |
| C3 | N1 | C4 | C9 | 174.5° | 0.2° |
| N1 | C3 | H7 | H6 | 122.5° | 120.0° |
| N1 | C4 | C5 | C9 | 177.4° | 179.8° |
| N1 | C4 | C5 | C6 | 176.3° | 180.0° |
| N1 | C4 | C9 | C8 | 176.7° | 179.8° |
| N1 | C4 | C5 | H9 | 3.7° | 0.0° |
| C4 | N1 | C3 | H7 | 33.7° | 60.3° |
| C4 | N1 | C3 | H6 | 155.4° | 59.7° |
| N1 | C4 | C9 | H13 | 3.3° | 0.2° |
| C4 | C5 | C6 | H9 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.9° | 0.1° |
| C5 | C4 | C9 | C8 | 0.8° | 0.4° |
| C5 | C4 | N1 | H8 | 125.1° | 0.3° |
| C4 | C5 | C6 | H10 | 179.1° | 180.0° |
| C5 | C4 | C9 | H13 | 179.2° | 180.0° |
| C5 | C6 | C7 | H10 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C4 | C9 | 1.1° | 0.1° |
| C5 | C6 | C7 | H11 | 179.7° | 179.9° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.2° |
| C7 | C6 | C5 | H9 | 179.1° | 180.0° |
| C6 | C7 | C8 | H12 | 179.9° | 180.0° |
| C7 | C8 | C9 | H12 | 180.0° | 179.7° |
| C7 | C8 | C9 | C4 | 0.2° | 0.5° |
| C8 | C7 | C6 | H10 | 179.7° | 180.0° |
| C7 | C8 | C9 | H13 | 179.8° | 180.0° |
| C8 | C9 | C4 | H13 | 180.0° | 179.6° |
| C9 | C8 | C7 | H11 | 179.9° | 179.8° |
| C9 | C4 | N1 | H8 | 52.4° | 179.5° |
| C9 | C4 | C5 | H9 | 178.9° | 179.8° |
| C4 | C9 | C8 | H12 | 179.8° | 179.8° |
| H8 | N1 | C3 | H7 | 88.5° | 120.0° |
| H8 | N1 | C3 | H6 | 33.2° | 120.0° |
| H9 | C5 | C6 | H10 | 0.9° | 0.1° |
| H10 | C6 | C7 | H11 | 0.3° | 0.0° |
| H11 | C7 | C8 | H12 | 0.1° | 0.0° |
| H12 | C8 | C9 | H13 | 0.2° | 0.2° |
| H1 | C | H | H2 | 120.0° | 120.0° |
| H4 | C1 | H5 | H3 | 120.0° | 120.0° |
