NW6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O3 | sing | 1.45Å | 1.42Å | |
| O3 | C13 | sing | 1.35Å | 1.35Å | |
| O2 | C13 | doub | 1.21Å | 1.24Å | |
| C13 | N3 | sing | 1.35Å | 1.41Å | |
| N3 | C12 | sing | 1.38Å | 1.43Å | |
| C12 | N1 | doub | 1.31Å | 1.31Å | Aromatic |
| C12 | N2 | sing | 1.37Å | 1.41Å | Aromatic |
| N1 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N2 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| O1 | C5 | doub | 1.22Å | 1.24Å | |
| C6 | C5 | sing | 1.48Å | 1.46Å | |
| C6 | C11 | doub | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.46Å | 1.45Å | |
| C4 | S | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | C3 | doub | 1.37Å | 1.38Å | Aromatic |
| S | C1 | sing | 1.71Å | 1.72Å | Aromatic |
| C3 | C2 | sing | 1.37Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.34Å | 1.37Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O3 | C13 | 113.8° | 117.0° |
| O3 | C14 | H14 | 109.5° | 109.5° |
| O3 | C14 | H14B | 109.5° | 109.5° |
| O3 | C14 | H14A | 109.5° | 109.5° |
| O3 | C13 | O2 | 123.1° | 120.0° |
| O3 | C13 | N3 | 112.5° | 120.0° |
| O2 | C13 | N3 | 124.4° | 120.0° |
| C13 | N3 | C12 | 123.0° | 120.0° |
| C13 | N3 | HN3 | 118.5° | 120.0° |
| N3 | C12 | N1 | 127.7° | 125.0° |
| N3 | C12 | N2 | 116.9° | 125.1° |
| C12 | N3 | HN3 | 118.5° | 120.0° |
| N1 | C12 | N2 | 115.4° | 109.9° |
| C12 | N1 | C8 | 103.2° | 109.5° |
| C12 | N2 | C9 | 103.2° | 107.4° |
| C12 | N2 | H12 | 128.4° | 126.3° |
| N1 | C8 | C7 | 128.5° | 133.4° |
| N1 | C8 | C9 | 112.7° | 107.1° |
| N2 | C9 | C8 | 105.6° | 106.1° |
| N2 | C9 | C10 | 130.1° | 133.7° |
| C9 | N2 | H12 | 128.4° | 126.3° |
| C7 | C8 | C9 | 118.8° | 119.5° |
| C8 | C7 | C6 | 119.0° | 119.5° |
| C8 | C7 | H7 | 120.5° | 120.2° |
| C8 | C9 | C10 | 124.4° | 120.2° |
| C7 | C6 | C5 | 117.4° | 119.9° |
| C7 | C6 | C11 | 120.4° | 120.2° |
| C6 | C7 | H7 | 120.5° | 120.3° |
| C9 | C10 | C11 | 116.1° | 120.2° |
| C9 | C10 | H10 | 121.9° | 119.9° |
| O1 | C5 | C6 | 118.4° | 120.0° |
| O1 | C5 | C4 | 118.6° | 120.0° |
| C5 | C6 | C11 | 122.2° | 119.9° |
| C6 | C5 | C4 | 123.0° | 120.0° |
| C6 | C11 | C10 | 121.3° | 120.4° |
| C6 | C11 | H11 | 119.4° | 119.8° |
| C11 | C10 | H10 | 122.0° | 119.9° |
| C10 | C11 | H11 | 119.3° | 119.8° |
| C5 | C4 | S | 119.4° | 125.5° |
| C5 | C4 | C3 | 129.5° | 125.5° |
| S | C4 | C3 | 111.2° | 109.1° |
| C4 | S | C1 | 91.1° | 91.6° |
| C4 | C3 | C2 | 113.0° | 113.2° |
| C4 | C3 | H3 | 123.5° | 123.4° |
| S | C1 | C2 | 112.3° | 110.9° |
| S | C1 | H1 | 123.8° | 124.5° |
| C3 | C2 | C1 | 112.4° | 115.1° |
| C2 | C3 | H3 | 123.5° | 123.3° |
| C3 | C2 | H2 | 123.8° | 122.4° |
| C1 | C2 | H2 | 123.8° | 122.4° |
| C2 | C1 | H1 | 123.8° | 124.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14B | C14 | H14A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | O3 | C13 | O2 | 11.1° | 0.0° |
| C14 | O3 | C13 | N3 | 168.2° | 179.7° |
| O3 | C14 | H14 | H14B | 120.0° | 120.0° |
| O3 | C14 | H14 | H14A | 120.0° | 120.0° |
| O3 | C14 | H14B | H14A | 120.0° | 120.0° |
| O3 | C13 | O2 | N3 | 179.2° | 179.7° |
| O3 | C13 | N3 | C12 | 178.3° | 179.7° |
| C13 | O3 | C14 | H14 | 180.0° | 60.0° |
| C13 | O3 | C14 | H14B | 60.0° | 180.0° |
| C13 | O3 | C14 | H14A | 60.0° | 60.0° |
| O3 | C13 | N3 | HN3 | 1.7° | 0.3° |
| O2 | C13 | N3 | C12 | 2.4° | 0.0° |
| O2 | C13 | N3 | HN3 | 177.6° | 180.0° |
| C13 | N3 | C12 | HN3 | 180.0° | 180.0° |
| C13 | N3 | C12 | N1 | 2.3° | 180.0° |
| C13 | N3 | C12 | N2 | 177.4° | 0.3° |
| N3 | C12 | N1 | N2 | 179.8° | 179.7° |
| N3 | C12 | N1 | C8 | 179.5° | 180.0° |
| N3 | C12 | N2 | C9 | 179.5° | 179.9° |
| N3 | C12 | N2 | H12 | 0.5° | 0.1° |
| N1 | C12 | N2 | C9 | 0.3° | 0.4° |
| C12 | N1 | C8 | C7 | 179.8° | 180.0° |
| C12 | N1 | C8 | C9 | 0.1° | 0.1° |
| N1 | C12 | N3 | HN3 | 177.7° | 0.0° |
| N1 | C12 | N2 | H12 | 179.7° | 179.8° |
| N2 | C12 | N1 | C8 | 0.3° | 0.3° |
| C12 | N2 | C9 | H12 | 180.0° | 179.8° |
| C12 | N2 | C9 | C8 | 0.2° | 0.3° |
| C12 | N2 | C9 | C10 | 179.9° | 179.9° |
| N2 | C12 | N3 | HN3 | 2.5° | 179.7° |
| N1 | C8 | C9 | N2 | 0.0° | 0.2° |
| N1 | C8 | C7 | C9 | 179.6° | 179.9° |
| N1 | C8 | C7 | C6 | 180.0° | 179.9° |
| N1 | C8 | C9 | C10 | 179.8° | 180.0° |
| N1 | C8 | C7 | H7 | 0.0° | 0.1° |
| N2 | C9 | C8 | C7 | 179.6° | 179.8° |
| N2 | C9 | C8 | C10 | 179.8° | 179.8° |
| N2 | C9 | C10 | C11 | 179.9° | 179.7° |
| N2 | C9 | C10 | H10 | 0.1° | 0.3° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C7 | C6 | C5 | 179.7° | 180.0° |
| C8 | C7 | C6 | C11 | 0.3° | 0.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.1° |
| C9 | C8 | C7 | H7 | 179.6° | 180.0° |
| C8 | C9 | N2 | H12 | 179.8° | 179.9° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C7 | C6 | C5 | O1 | 21.6° | 27.0° |
| C7 | C6 | C5 | C11 | 179.3° | 180.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.1° |
| C7 | C6 | C5 | C4 | 157.3° | 153.1° |
| C7 | C6 | C11 | H11 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.3° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C10 | C9 | N2 | H12 | 0.1° | 0.1° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| O1 | C5 | C6 | C4 | 178.8° | 179.9° |
| O1 | C5 | C6 | C11 | 159.1° | 153.0° |
| O1 | C5 | C4 | S | 24.9° | 173.8° |
| O1 | C5 | C4 | C3 | 154.9° | 6.4° |
| C5 | C6 | C11 | C10 | 179.3° | 179.9° |
| C6 | C5 | C4 | S | 156.2° | 6.3° |
| C6 | C5 | C4 | C3 | 24.0° | 173.5° |
| C5 | C6 | C7 | H7 | 0.3° | 0.0° |
| C5 | C6 | C11 | H11 | 0.7° | 0.0° |
| C6 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C6 | C5 | C4 | 22.1° | 26.9° |
| C11 | C6 | C7 | H7 | 179.7° | 179.9° |
| C6 | C11 | C10 | H10 | 179.7° | 179.9° |
| C5 | C4 | S | C3 | 179.8° | 179.8° |
| C5 | C4 | S | C1 | 179.8° | 179.9° |
| C5 | C4 | C3 | C2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 0.0° | 0.1° |
| S | C4 | C3 | C2 | 0.2° | 0.2° |
| C4 | S | C1 | C2 | 0.4° | 0.4° |
| S | C4 | C3 | H3 | 179.8° | 179.7° |
| C4 | S | C1 | H1 | 179.6° | 179.9° |
| C3 | C4 | S | C1 | 0.4° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| S | C1 | C2 | C3 | 0.4° | 0.3° |
| S | C1 | C2 | H1 | 180.0° | 179.7° |
| S | C1 | C2 | H2 | 179.6° | 179.8° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| H14 | C14 | H14B | H14A | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 0.3° | 0.0° |
| H3 | C3 | C2 | H2 | 0.1° | 0.1° |
| H2 | C2 | C1 | H1 | 0.4° | 0.1° |
