WSG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C11 | sing | 1.35Å | 1.36Å | |
| C11 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | O1 | doub | 1.22Å | 1.22Å | |
| C5 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.41Å | 1.40Å | |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | N1 | sing | 1.36Å | 1.35Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C11 | C8 | 118.2° | 119.9° |
| F1 | C11 | C10 | 118.4° | 119.9° |
| C8 | C11 | C10 | 123.4° | 120.2° |
| C11 | C8 | C7 | 118.0° | 120.1° |
| C11 | C8 | H3 | 121.0° | 120.0° |
| C11 | C10 | C9 | 118.1° | 120.1° |
| C11 | C10 | H4 | 121.0° | 120.0° |
| C8 | C7 | C6 | 120.9° | 119.9° |
| C8 | C7 | H2 | 119.6° | 120.0° |
| C7 | C8 | H3 | 121.0° | 119.9° |
| C10 | C9 | C6 | 120.6° | 119.9° |
| C9 | C10 | H4 | 120.9° | 120.0° |
| C10 | C9 | H11 | 119.7° | 120.0° |
| C7 | C6 | C9 | 119.0° | 119.7° |
| C7 | C6 | C5 | 120.4° | 120.1° |
| C6 | C7 | H2 | 119.5° | 120.0° |
| C9 | C6 | C5 | 120.5° | 120.1° |
| C6 | C9 | H11 | 119.7° | 120.1° |
| C6 | C5 | O1 | 121.2° | 120.0° |
| C6 | C5 | N3 | 115.8° | 120.0° |
| O1 | C5 | N3 | 123.0° | 120.0° |
| C5 | N3 | C4 | 127.2° | 120.0° |
| C5 | N3 | H1 | 116.4° | 120.0° |
| N3 | C4 | C3 | 126.5° | 126.1° |
| N3 | C4 | C12 | 127.7° | 126.1° |
| C4 | N3 | H1 | 116.4° | 120.0° |
| C3 | C4 | C12 | 105.5° | 107.8° |
| C4 | C3 | N2 | 110.7° | 108.3° |
| C4 | C3 | H10 | 124.7° | 125.8° |
| C4 | C12 | N1 | 106.5° | 107.6° |
| C4 | C12 | H12 | 126.7° | 126.2° |
| C3 | N2 | N1 | 105.6° | 108.4° |
| N2 | C3 | H10 | 124.6° | 125.8° |
| C12 | N1 | N2 | 111.5° | 107.9° |
| C12 | N1 | C2 | 128.2° | 126.1° |
| N1 | C12 | H12 | 126.7° | 126.2° |
| N2 | N1 | C2 | 120.2° | 126.0° |
| N1 | C2 | C1 | 109.5° | 109.5° |
| N1 | C2 | H8 | 109.5° | 109.5° |
| N1 | C2 | H9 | 109.5° | 109.4° |
| C2 | C1 | H5 | 109.5° | 109.4° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H8 | C2 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C11 | C8 | C10 | 179.8° | 179.8° |
| F1 | C11 | C8 | C7 | 179.5° | 180.0° |
| F1 | C11 | C10 | C9 | 179.9° | 179.9° |
| F1 | C11 | C8 | H3 | 0.5° | 0.1° |
| F1 | C11 | C10 | H4 | 0.2° | 0.0° |
| C11 | C8 | C7 | H3 | 180.0° | 180.0° |
| C8 | C11 | C10 | C9 | 0.3° | 0.3° |
| C11 | C8 | C7 | C6 | 0.8° | 0.0° |
| C11 | C8 | C7 | H2 | 179.2° | 180.0° |
| C8 | C11 | C10 | H4 | 179.7° | 179.8° |
| C10 | C11 | C8 | C7 | 0.7° | 0.3° |
| C11 | C10 | C9 | H4 | 180.0° | 180.0° |
| C11 | C10 | C9 | C6 | 0.1° | 0.0° |
| C10 | C11 | C8 | H3 | 179.3° | 179.7° |
| C11 | C10 | C9 | H11 | 179.9° | 180.0° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C8 | C7 | C6 | C9 | 0.6° | 0.2° |
| C8 | C7 | C6 | C5 | 178.3° | 180.0° |
| C10 | C9 | C6 | C7 | 0.2° | 0.2° |
| C10 | C9 | C6 | H11 | 180.0° | 179.9° |
| C10 | C9 | C6 | C5 | 178.0° | 180.0° |
| C7 | C6 | C9 | C5 | 177.7° | 179.8° |
| C7 | C6 | C5 | O1 | 174.0° | 0.0° |
| C7 | C6 | C5 | N3 | 5.9° | 179.9° |
| C6 | C7 | C8 | H3 | 179.2° | 180.0° |
| C7 | C6 | C9 | H11 | 179.7° | 179.7° |
| C9 | C6 | C5 | O1 | 8.3° | 179.8° |
| C9 | C6 | C5 | N3 | 171.8° | 0.3° |
| C9 | C6 | C7 | H2 | 179.4° | 179.8° |
| C6 | C9 | C10 | H4 | 179.9° | 180.0° |
| C6 | C5 | O1 | N3 | 180.0° | 179.9° |
| C6 | C5 | N3 | C4 | 155.7° | 180.0° |
| C6 | C5 | N3 | H1 | 24.3° | 0.1° |
| C5 | C6 | C7 | H2 | 1.7° | 0.0° |
| C5 | C6 | C9 | H11 | 2.0° | 0.0° |
| O1 | C5 | N3 | C4 | 24.3° | 0.1° |
| O1 | C5 | N3 | H1 | 155.7° | 180.0° |
| C5 | N3 | C4 | H1 | 180.0° | 179.9° |
| C5 | N3 | C4 | C3 | 159.6° | 0.1° |
| C5 | N3 | C4 | C12 | 27.9° | 179.6° |
| N3 | C4 | C3 | C12 | 173.9° | 179.7° |
| N3 | C4 | C3 | N2 | 177.1° | 180.0° |
| N3 | C4 | C12 | N1 | 177.4° | 179.8° |
| N3 | C4 | C3 | H10 | 2.8° | 0.3° |
| N3 | C4 | C12 | H12 | 2.6° | 0.3° |
| C4 | C3 | N2 | H10 | 180.0° | 179.7° |
| C3 | C4 | C12 | N1 | 3.6° | 0.5° |
| C4 | C3 | N2 | N1 | 1.6° | 0.0° |
| C3 | C4 | N3 | H1 | 20.4° | 180.0° |
| C3 | C4 | C12 | H12 | 176.4° | 180.0° |
| C12 | C4 | C3 | N2 | 3.3° | 0.3° |
| C4 | C12 | N1 | H12 | 180.0° | 179.5° |
| C4 | C12 | N1 | N2 | 2.9° | 0.4° |
| C4 | C12 | N1 | C2 | 178.5° | 179.8° |
| C12 | C4 | N3 | H1 | 152.1° | 0.3° |
| C12 | C4 | C3 | H10 | 176.7° | 180.0° |
| C3 | N2 | N1 | C12 | 0.8° | 0.2° |
| C3 | N2 | N1 | C2 | 176.8° | 180.0° |
| C12 | N1 | N2 | C2 | 176.0° | 179.8° |
| C12 | N1 | C2 | C1 | 25.5° | 124.7° |
| C12 | N1 | C2 | H8 | 145.6° | 115.3° |
| C12 | N1 | C2 | H9 | 94.5° | 4.7° |
| N2 | N1 | C2 | C1 | 149.7° | 55.0° |
| N2 | N1 | C2 | H8 | 29.7° | 65.0° |
| N2 | N1 | C2 | H9 | 90.3° | 175.0° |
| N1 | N2 | C3 | H10 | 178.4° | 179.7° |
| N2 | N1 | C12 | H12 | 177.1° | 180.0° |
| N1 | C2 | C1 | H8 | 120.0° | 120.0° |
| N1 | C2 | C1 | H9 | 120.0° | 119.9° |
| N1 | C2 | C1 | H5 | 180.0° | 180.0° |
| N1 | C2 | C1 | H6 | 60.0° | 59.9° |
| N1 | C2 | C1 | H7 | 60.0° | 60.0° |
| N1 | C2 | H8 | H9 | 120.0° | 119.9° |
| C2 | N1 | C12 | H12 | 1.5° | 0.3° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | H8 | H9 | 120.0° | 120.0° |
| H2 | C7 | C8 | H3 | 0.8° | 0.1° |
| H4 | C10 | C9 | H11 | 0.1° | 0.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
| H5 | C1 | C2 | H8 | 60.0° | 60.0° |
| H5 | C1 | C2 | H9 | 60.0° | 60.0° |
| H6 | C1 | C2 | H8 | 180.0° | 180.0° |
| H6 | C1 | C2 | H9 | 60.0° | 60.0° |
| H7 | C1 | C2 | H8 | 60.0° | 60.0° |
| H7 | C1 | C2 | H9 | 180.0° | 180.0° |
