3WN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C8 | doub | 1.32Å | 1.32Å | Aromatic |
| N7 | C6 | sing | 1.33Å | 1.32Å | Aromatic |
| C8 | N9 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C6 | sing | 1.37Å | 1.36Å | |
| N3 | C2 | sing | 1.36Å | 1.35Å | |
| C6 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| N9 | C10 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.34Å | |
| C5 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.48Å | |
| C10 | N12 | sing | 1.38Å | 1.38Å | |
| C1 | C4 | sing | 1.42Å | 1.41Å | |
| C18 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O11 | doub | 1.22Å | 1.22Å | |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| N12 | C13 | sing | 1.40Å | 1.40Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N19 | sing | 1.40Å | 1.41Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| N12 | H8 | sing | 0.97Å | 1.00Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| N19 | H10 | sing | 0.97Å | 1.00Å | |
| N19 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N7 | C6 | 119.9° | 120.6° |
| N7 | C8 | N9 | 123.8° | 122.9° |
| N7 | C8 | H4 | 118.1° | 118.6° |
| N7 | C6 | N3 | 120.6° | 121.9° |
| N7 | C6 | C5 | 119.5° | 118.6° |
| C8 | N9 | C10 | 120.6° | 121.0° |
| N9 | C8 | H4 | 118.1° | 118.5° |
| C6 | N3 | C2 | 121.8° | 121.6° |
| N3 | C6 | C5 | 119.8° | 119.5° |
| C6 | N3 | H2 | 119.1° | 119.2° |
| N3 | C2 | C1 | 122.8° | 122.6° |
| N3 | C2 | H3 | 118.6° | 118.7° |
| C2 | N3 | H2 | 119.1° | 119.2° |
| C6 | C5 | C10 | 118.1° | 118.8° |
| C6 | C5 | C4 | 117.6° | 118.8° |
| N9 | C10 | C5 | 118.1° | 118.1° |
| N9 | C10 | N12 | 123.3° | 120.9° |
| C2 | C1 | C4 | 120.3° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H3 | 118.6° | 118.7° |
| C10 | C5 | C4 | 124.2° | 122.4° |
| C5 | C10 | N12 | 118.6° | 121.0° |
| C5 | C4 | C1 | 117.7° | 117.6° |
| C5 | C4 | O11 | 123.0° | 121.2° |
| C10 | N12 | C13 | 124.4° | 120.0° |
| C10 | N12 | H8 | 117.8° | 120.0° |
| C1 | C4 | O11 | 119.3° | 121.2° |
| C4 | C1 | H1 | 119.8° | 120.0° |
| C16 | C18 | C13 | 119.6° | 120.0° |
| C18 | C16 | C15 | 119.8° | 120.2° |
| C18 | C16 | H7 | 120.1° | 119.9° |
| C16 | C18 | H9 | 120.2° | 120.0° |
| C18 | C13 | N12 | 121.1° | 120.0° |
| C18 | C13 | C14 | 120.4° | 119.9° |
| C13 | C18 | H9 | 120.2° | 119.9° |
| C16 | C15 | C17 | 120.7° | 120.1° |
| C16 | C15 | H6 | 119.6° | 120.0° |
| C15 | C16 | H7 | 120.1° | 120.0° |
| N12 | C13 | C14 | 118.5° | 120.0° |
| C13 | N12 | H8 | 117.8° | 120.0° |
| C13 | C14 | C17 | 119.9° | 119.9° |
| C13 | C14 | H5 | 120.1° | 120.0° |
| C15 | C17 | C14 | 119.5° | 119.9° |
| C15 | C17 | N19 | 120.4° | 120.0° |
| C17 | C15 | H6 | 119.6° | 120.0° |
| C14 | C17 | N19 | 120.1° | 120.0° |
| C17 | C14 | H5 | 120.0° | 120.1° |
| C17 | N19 | H10 | 109.5° | 120.0° |
| C17 | N19 | H11 | 109.5° | 120.0° |
| H10 | N19 | H11 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C8 | N9 | H4 | 180.0° | 179.7° |
| C8 | N7 | C6 | N3 | 177.9° | 180.0° |
| C8 | N7 | C6 | C5 | 0.2° | 0.3° |
| N7 | C8 | N9 | C10 | 0.6° | 0.3° |
| C6 | N7 | C8 | N9 | 0.9° | 0.0° |
| N7 | C6 | N3 | C5 | 177.7° | 179.7° |
| N7 | C6 | N3 | C2 | 177.4° | 180.0° |
| N7 | C6 | C5 | C10 | 1.6° | 0.2° |
| N7 | C6 | C5 | C4 | 177.9° | 179.8° |
| C6 | N7 | C8 | H4 | 179.0° | 179.7° |
| N7 | C6 | N3 | H2 | 2.6° | 0.0° |
| C8 | N9 | C10 | C5 | 0.8° | 0.4° |
| C8 | N9 | C10 | N12 | 179.4° | 179.7° |
| C6 | N3 | C2 | H2 | 180.0° | 179.9° |
| C6 | N3 | C2 | C1 | 0.2° | 0.1° |
| N3 | C6 | C5 | C10 | 179.3° | 179.9° |
| N3 | C6 | C5 | C4 | 0.1° | 0.5° |
| C6 | N3 | C2 | H3 | 179.8° | 180.0° |
| C2 | N3 | C6 | C5 | 0.3° | 0.2° |
| N3 | C2 | C1 | H3 | 180.0° | 179.9° |
| N3 | C2 | C1 | C4 | 0.3° | 0.1° |
| N3 | C2 | C1 | H1 | 179.6° | 179.7° |
| C6 | C5 | C10 | N9 | 1.9° | 0.1° |
| C6 | C5 | C10 | C4 | 179.5° | 179.6° |
| C6 | C5 | C10 | N12 | 179.5° | 179.5° |
| C6 | C5 | C4 | C1 | 0.6° | 0.5° |
| C6 | C5 | C4 | O11 | 178.2° | 179.4° |
| C5 | C6 | N3 | H2 | 179.8° | 179.7° |
| N9 | C10 | C5 | N12 | 178.6° | 179.4° |
| N9 | C10 | C5 | C4 | 177.6° | 179.4° |
| N9 | C10 | N12 | C13 | 11.7° | 6.3° |
| C10 | N9 | C8 | H4 | 179.3° | 179.9° |
| N9 | C10 | N12 | H8 | 168.3° | 173.7° |
| C2 | C1 | C4 | C5 | 0.7° | 0.2° |
| C2 | C1 | C4 | H1 | 180.0° | 179.8° |
| C2 | C1 | C4 | O11 | 178.4° | 179.7° |
| C1 | C2 | N3 | H2 | 179.8° | 180.0° |
| C10 | C5 | C4 | C1 | 178.8° | 180.0° |
| C10 | C5 | C4 | O11 | 1.2° | 0.1° |
| C5 | C10 | N12 | C13 | 169.7° | 174.4° |
| C5 | C10 | N12 | H8 | 10.3° | 5.6° |
| C4 | C5 | C10 | N12 | 1.1° | 0.1° |
| C5 | C4 | C1 | O11 | 177.7° | 179.9° |
| C5 | C4 | C1 | H1 | 179.3° | 180.0° |
| C10 | N12 | C13 | C18 | 63.5° | 147.6° |
| C10 | N12 | C13 | H8 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 120.0° | 32.7° |
| C4 | C1 | C2 | H3 | 179.7° | 180.0° |
| C16 | C18 | C13 | H9 | 180.0° | 179.6° |
| C18 | C16 | C15 | H7 | 180.0° | 179.2° |
| C16 | C18 | C13 | N12 | 178.9° | 179.7° |
| C16 | C18 | C13 | C14 | 2.6° | 0.1° |
| C18 | C16 | C15 | C17 | 0.1° | 0.8° |
| C18 | C16 | C15 | H6 | 179.9° | 179.8° |
| C13 | C18 | C16 | C15 | 1.2° | 0.5° |
| C18 | C13 | N12 | C14 | 176.5° | 179.6° |
| C18 | C13 | C14 | C17 | 2.8° | 0.4° |
| C18 | C13 | C14 | H5 | 177.2° | 179.7° |
| C13 | C18 | C16 | H7 | 178.7° | 179.7° |
| C18 | C13 | N12 | H8 | 116.5° | 32.3° |
| O11 | C4 | C1 | H1 | 1.6° | 0.1° |
| C16 | C15 | C17 | H6 | 180.0° | 179.5° |
| C16 | C15 | C17 | C14 | 0.3° | 0.5° |
| C16 | C15 | C17 | N19 | 178.3° | 179.4° |
| C15 | C16 | C18 | H9 | 178.8° | 180.0° |
| N12 | C13 | C14 | C17 | 179.3° | 180.0° |
| N12 | C13 | C14 | H5 | 0.7° | 0.1° |
| N12 | C13 | C18 | H9 | 1.0° | 0.2° |
| C13 | C14 | C17 | C15 | 1.7° | 0.1° |
| C13 | C14 | C17 | H5 | 180.0° | 179.9° |
| C13 | C14 | C17 | N19 | 177.0° | 180.0° |
| C14 | C13 | N12 | H8 | 60.0° | 147.3° |
| C14 | C13 | C18 | H9 | 177.4° | 179.5° |
| C15 | C17 | C14 | N19 | 178.7° | 179.9° |
| C15 | C17 | C14 | H5 | 178.3° | 180.0° |
| C17 | C15 | C16 | H7 | 179.8° | 180.0° |
| C15 | C17 | N19 | H10 | 180.0° | 180.0° |
| C15 | C17 | N19 | H11 | 60.0° | 0.1° |
| C14 | C17 | C15 | H6 | 179.7° | 180.0° |
| C14 | C17 | N19 | H10 | 1.3° | 0.1° |
| C14 | C17 | N19 | H11 | 118.6° | 180.0° |
| N19 | C17 | C14 | H5 | 3.0° | 0.1° |
| N19 | C17 | C15 | H6 | 1.7° | 0.1° |
| C17 | N19 | H10 | H11 | 120.0° | 180.0° |
| H1 | C1 | C2 | H3 | 0.3° | 0.2° |
| H3 | C2 | N3 | H2 | 0.2° | 0.1° |
| H6 | C15 | C16 | H7 | 0.2° | 0.5° |
| H7 | C16 | C18 | H9 | 1.3° | 0.7° |
