WNG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| C02 | C01 | doub | 1.34Å | 1.53Å | |
| C02 | C03 | sing | 1.48Å | 1.53Å | |
| C01 | N09 | sing | 1.39Å | 1.45Å | |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| N09 | C10 | sing | 1.38Å | 1.45Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N18 | doub | 1.31Å | 1.33Å | Aromatic |
| C10 | N11 | sing | 1.37Å | 1.34Å | Aromatic |
| N18 | C17 | sing | 1.36Å | 1.35Å | Aromatic |
| N11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| N09 | H12 | sing | 0.97Å | 1.00Å | |
| N11 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C03 | 120.6° | 119.8° |
| C08 | C07 | C06 | 119.6° | 120.2° |
| C08 | C07 | H8 | 120.2° | 120.0° |
| C07 | C08 | H9 | 119.7° | 120.1° |
| C08 | C03 | C02 | 118.2° | 120.2° |
| C08 | C03 | C04 | 119.8° | 119.7° |
| C03 | C08 | H9 | 119.7° | 120.1° |
| C01 | C02 | C03 | 120.3° | 120.0° |
| C02 | C01 | N09 | 116.0° | 120.0° |
| C02 | C01 | H3 | 122.0° | 120.0° |
| C01 | C02 | H4 | 119.8° | 120.0° |
| C02 | C03 | C04 | 122.0° | 120.2° |
| C03 | C02 | H4 | 119.9° | 120.0° |
| C01 | N09 | C10 | 118.3° | 120.0° |
| N09 | C01 | H3 | 122.0° | 120.0° |
| C01 | N09 | H12 | 120.8° | 120.0° |
| C07 | C06 | C05 | 119.9° | 120.3° |
| C07 | C06 | H7 | 120.1° | 119.9° |
| C06 | C07 | H8 | 120.2° | 119.9° |
| C03 | C04 | C05 | 119.8° | 119.9° |
| C03 | C04 | H5 | 120.1° | 120.0° |
| N09 | C10 | N18 | 124.5° | 125.1° |
| N09 | C10 | N11 | 126.1° | 125.0° |
| C10 | N09 | H12 | 120.9° | 120.0° |
| C06 | C05 | C04 | 120.4° | 120.1° |
| C06 | C05 | H6 | 119.8° | 119.9° |
| C05 | C06 | H7 | 120.1° | 119.8° |
| C05 | C04 | H5 | 120.1° | 120.1° |
| C04 | C05 | H6 | 119.8° | 120.0° |
| N18 | C10 | N11 | 109.4° | 109.9° |
| C10 | N18 | C17 | 108.9° | 109.6° |
| C10 | N11 | C12 | 107.2° | 107.2° |
| C10 | N11 | H13 | 126.4° | 126.4° |
| N18 | C17 | C12 | 106.9° | 107.1° |
| N18 | C17 | C16 | 132.7° | 133.4° |
| N11 | C12 | C17 | 107.6° | 106.2° |
| N11 | C12 | C13 | 132.9° | 133.9° |
| C12 | N11 | H13 | 126.4° | 126.4° |
| C12 | C17 | C16 | 120.5° | 119.5° |
| C17 | C12 | C13 | 119.5° | 120.0° |
| C17 | C16 | C15 | 119.4° | 119.8° |
| C17 | C16 | H11 | 120.3° | 120.1° |
| C12 | C13 | C14 | 119.6° | 119.9° |
| C12 | C13 | H1 | 120.2° | 120.1° |
| C16 | C15 | C14 | 120.2° | 120.5° |
| C16 | C15 | H2 | 119.9° | 119.8° |
| C15 | C16 | H11 | 120.3° | 120.2° |
| C13 | C14 | C15 | 120.8° | 120.4° |
| C14 | C13 | H1 | 120.2° | 120.0° |
| C13 | C14 | H10 | 119.6° | 119.9° |
| C14 | C15 | H2 | 119.9° | 119.8° |
| C15 | C14 | H10 | 119.6° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C03 | H9 | 180.0° | 179.5° |
| C07 | C08 | C03 | C02 | 179.0° | 179.7° |
| C08 | C07 | C06 | H8 | 180.0° | 179.7° |
| C07 | C08 | C03 | C04 | 0.9° | 0.5° |
| C08 | C07 | C06 | C05 | 0.4° | 0.3° |
| C08 | C07 | C06 | H7 | 179.6° | 179.7° |
| C08 | C03 | C02 | C01 | 126.7° | 147.0° |
| C08 | C03 | C02 | C04 | 178.1° | 179.7° |
| C03 | C08 | C07 | C06 | 0.8° | 0.5° |
| C08 | C03 | C04 | C05 | 0.6° | 0.2° |
| C08 | C03 | C02 | H4 | 53.2° | 33.0° |
| C08 | C03 | C04 | H5 | 179.4° | 179.8° |
| C03 | C08 | C07 | H8 | 179.2° | 179.7° |
| C01 | C02 | C03 | H4 | 180.0° | 180.0° |
| C02 | C01 | N09 | H3 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 55.2° | 33.2° |
| C02 | C01 | N09 | C10 | 113.4° | 174.1° |
| C02 | C01 | N09 | H12 | 66.6° | 5.9° |
| C03 | C02 | C01 | N09 | 0.5° | 8.1° |
| C02 | C03 | C04 | C05 | 178.7° | 180.0° |
| C03 | C02 | C01 | H3 | 179.5° | 171.8° |
| C02 | C03 | C04 | H5 | 1.3° | 0.0° |
| C02 | C03 | C08 | H9 | 1.0° | 0.2° |
| C01 | N09 | C10 | H12 | 180.0° | 180.0° |
| C01 | N09 | C10 | N18 | 13.3° | 180.0° |
| C01 | N09 | C10 | N11 | 166.3° | 0.2° |
| N09 | C01 | C02 | H4 | 179.5° | 171.8° |
| C07 | C06 | C05 | H7 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.1° | 0.0° |
| C07 | C06 | C05 | H6 | 179.8° | 180.0° |
| C06 | C07 | C08 | H9 | 179.3° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C04 | C03 | C02 | H4 | 124.8° | 146.8° |
| C03 | C04 | C05 | H6 | 179.7° | 180.0° |
| C04 | C03 | C08 | H9 | 179.1° | 180.0° |
| N09 | C10 | N18 | N11 | 179.7° | 179.8° |
| N09 | C10 | N18 | C17 | 179.6° | 179.8° |
| N09 | C10 | N11 | C12 | 179.6° | 179.8° |
| C10 | N09 | C01 | H3 | 66.6° | 5.8° |
| N09 | C10 | N11 | H13 | 0.3° | 0.2° |
| C06 | C05 | C04 | H6 | 180.0° | 180.0° |
| C06 | C05 | C04 | H5 | 179.8° | 180.0° |
| C05 | C06 | C07 | H8 | 179.6° | 180.0° |
| C04 | C05 | C06 | H7 | 179.8° | 180.0° |
| N18 | C10 | N11 | C12 | 0.1° | 0.1° |
| C10 | N18 | C17 | C12 | 0.1° | 0.0° |
| C10 | N18 | C17 | C16 | 179.8° | 180.0° |
| N18 | C10 | N09 | H12 | 166.7° | 0.0° |
| N18 | C10 | N11 | H13 | 180.0° | 180.0° |
| N11 | C10 | N18 | C17 | 0.1° | 0.0° |
| C10 | N11 | C12 | H13 | 180.0° | 179.9° |
| C10 | N11 | C12 | C17 | 0.0° | 0.0° |
| C10 | N11 | C12 | C13 | 179.4° | 180.0° |
| N11 | C10 | N09 | H12 | 13.7° | 179.8° |
| N18 | C17 | C12 | N11 | 0.0° | 0.0° |
| N18 | C17 | C12 | C16 | 179.8° | 180.0° |
| N18 | C17 | C12 | C13 | 179.6° | 180.0° |
| N18 | C17 | C16 | C15 | 179.8° | 180.0° |
| N18 | C17 | C16 | H11 | 0.2° | 0.0° |
| N11 | C12 | C17 | C13 | 179.5° | 180.0° |
| N11 | C12 | C17 | C16 | 179.8° | 180.0° |
| N11 | C12 | C13 | C14 | 179.5° | 180.0° |
| N11 | C12 | C13 | H1 | 0.5° | 0.1° |
| C12 | C17 | C16 | C15 | 0.4° | 0.1° |
| C17 | C12 | C13 | C14 | 1.1° | 0.0° |
| C17 | C12 | C13 | H1 | 178.9° | 179.9° |
| C12 | C17 | C16 | H11 | 179.6° | 180.0° |
| C17 | C12 | N11 | H13 | 180.0° | 180.0° |
| C16 | C17 | C12 | C13 | 0.6° | 0.0° |
| C17 | C16 | C15 | H11 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.7° | 0.1° |
| C17 | C16 | C15 | H2 | 179.3° | 180.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H10 | 178.7° | 179.9° |
| C13 | C12 | N11 | H13 | 0.5° | 0.1° |
| C16 | C15 | C14 | C13 | 1.1° | 0.1° |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C16 | C15 | C14 | H10 | 178.9° | 179.9° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | H2 | 178.8° | 180.0° |
| C15 | C14 | C13 | H1 | 178.7° | 180.0° |
| C14 | C15 | C16 | H11 | 179.3° | 179.9° |
| H1 | C13 | C14 | H10 | 1.3° | 0.0° |
| H2 | C15 | C14 | H10 | 1.2° | 0.0° |
| H2 | C15 | C16 | H11 | 0.7° | 0.1° |
| H3 | C01 | C02 | H4 | 0.6° | 8.2° |
| H3 | C01 | N09 | H12 | 113.4° | 174.2° |
| H5 | C04 | C05 | H6 | 0.2° | 0.0° |
| H6 | C05 | C06 | H7 | 0.2° | 0.0° |
| H7 | C06 | C07 | H8 | 0.4° | 0.0° |
| H8 | C07 | C08 | H9 | 0.7° | 0.2° |
