WNO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.54Å | 1.36Å | |
| C4 | N2 | sing | 1.49Å | 1.34Å | |
| C3 | N1 | sing | 1.48Å | 1.34Å | |
| N2 | C5 | sing | 1.49Å | 1.45Å | |
| N1 | C5 | sing | 1.48Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| N4 | C10 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.48Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| N3 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 1.01Å | 1.00Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | N2 | 107.1° | 103.4° |
| C4 | C3 | N1 | 107.0° | 105.7° |
| C4 | C3 | H7 | 110.1° | 110.2° |
| C4 | C3 | H8 | 110.1° | 110.3° |
| C3 | C4 | H9 | 110.1° | 110.7° |
| C3 | C4 | H10 | 110.0° | 110.6° |
| C4 | N2 | C5 | 110.9° | 103.1° |
| N2 | C4 | H9 | 110.1° | 110.6° |
| N2 | C4 | H10 | 110.1° | 110.6° |
| C4 | N2 | H11 | 109.1° | 111.0° |
| C3 | N1 | C5 | 111.7° | 106.9° |
| C3 | N1 | C2 | 123.8° | 111.0° |
| N1 | C3 | H7 | 110.1° | 110.2° |
| N1 | C3 | H8 | 110.1° | 110.2° |
| N2 | C5 | N1 | 94.6° | 105.3° |
| N2 | C5 | C6 | 117.1° | 110.3° |
| C5 | N2 | H11 | 109.1° | 111.0° |
| N2 | C5 | H13 | 108.3° | 110.2° |
| C5 | N1 | C2 | 123.8° | 110.9° |
| N1 | C5 | C6 | 120.3° | 110.3° |
| N1 | C5 | H13 | 108.1° | 110.3° |
| N1 | C2 | C1 | 114.5° | 109.4° |
| N1 | C2 | H4 | 108.2° | 109.5° |
| N1 | C2 | H5 | 108.2° | 109.5° |
| C5 | C6 | C7 | 119.7° | 119.5° |
| C5 | C6 | N4 | 119.2° | 119.5° |
| C6 | C5 | H13 | 107.4° | 110.3° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 108.2° | 109.4° |
| C1 | C2 | H5 | 108.2° | 109.4° |
| C7 | C6 | N4 | 120.6° | 120.9° |
| C6 | C7 | C8 | 119.6° | 119.4° |
| C6 | C7 | H14 | 120.2° | 120.3° |
| C6 | N4 | C10 | 119.6° | 121.6° |
| C7 | C8 | C9 | 119.6° | 118.5° |
| C8 | C7 | H14 | 120.2° | 120.3° |
| C7 | C8 | H15 | 120.2° | 120.7° |
| N4 | C10 | C9 | 122.1° | 120.6° |
| N4 | C10 | C11 | 117.5° | 119.7° |
| C8 | C9 | C10 | 118.5° | 119.1° |
| C9 | C8 | H15 | 120.2° | 120.8° |
| C8 | C9 | H16 | 120.8° | 120.5° |
| C9 | C10 | C11 | 120.4° | 119.7° |
| C10 | C9 | H16 | 120.7° | 120.5° |
| C10 | C11 | C12 | 121.5° | 119.7° |
| C10 | C11 | N3 | 115.9° | 119.7° |
| C11 | C12 | C13 | 118.6° | 119.1° |
| C12 | C11 | N3 | 122.6° | 120.5° |
| C11 | C12 | H17 | 120.7° | 120.4° |
| C12 | C13 | C14 | 119.3° | 118.5° |
| C13 | C12 | H17 | 120.7° | 120.5° |
| C12 | C13 | H18 | 120.4° | 120.8° |
| C11 | N3 | C15 | 117.5° | 121.6° |
| C13 | C14 | C15 | 118.9° | 119.3° |
| C14 | C13 | H18 | 120.3° | 120.7° |
| C13 | C14 | H19 | 120.6° | 120.4° |
| N3 | C15 | C14 | 123.1° | 120.9° |
| N3 | C15 | H20 | 118.4° | 119.6° |
| C15 | C14 | H19 | 120.6° | 120.3° |
| C14 | C15 | H20 | 118.5° | 119.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.4° | 110.2° |
| H9 | C4 | H10 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | N2 | H9 | 119.6° | 118.5° |
| C3 | C4 | N2 | H10 | 119.6° | 118.5° |
| C4 | C3 | N1 | H7 | 119.6° | 119.1° |
| C4 | C3 | N1 | H8 | 119.6° | 119.2° |
| C3 | C4 | N2 | C5 | 24.3° | 37.2° |
| C4 | C3 | N1 | C5 | 13.2° | 1.0° |
| C4 | C3 | N1 | C2 | 175.9° | 122.2° |
| C4 | C3 | H7 | H8 | 121.2° | 121.9° |
| C3 | C4 | H9 | H10 | 121.1° | 123.0° |
| C3 | C4 | N2 | H11 | 144.5° | 156.1° |
| N2 | C4 | C3 | N1 | 6.5° | 22.5° |
| C4 | N2 | C5 | H11 | 120.3° | 118.9° |
| C4 | N2 | C5 | N1 | 29.0° | 38.7° |
| C4 | N2 | C5 | C6 | 156.5° | 157.6° |
| N2 | C4 | C3 | H7 | 113.1° | 141.6° |
| N2 | C4 | C3 | H8 | 126.1° | 96.5° |
| N2 | C4 | H9 | H10 | 121.1° | 123.0° |
| C4 | N2 | C5 | H13 | 81.9° | 80.3° |
| C3 | N1 | C5 | N2 | 24.9° | 24.4° |
| C3 | N1 | C5 | C2 | 170.9° | 121.2° |
| C3 | N1 | C5 | C6 | 150.1° | 143.4° |
| C3 | N1 | C2 | C1 | 94.9° | 71.3° |
| C3 | N1 | C2 | H4 | 25.8° | 168.8° |
| C3 | N1 | C2 | H5 | 144.4° | 48.7° |
| N1 | C3 | H7 | H8 | 121.1° | 121.8° |
| N1 | C3 | C4 | H9 | 113.1° | 95.9° |
| N1 | C3 | C4 | H10 | 126.2° | 141.0° |
| C3 | N1 | C5 | H13 | 86.1° | 94.5° |
| N2 | C5 | N1 | C6 | 125.2° | 119.0° |
| N2 | C5 | N1 | H13 | 111.0° | 118.9° |
| N2 | C5 | N1 | C2 | 164.2° | 145.6° |
| N2 | C5 | C6 | H13 | 122.1° | 122.0° |
| N2 | C5 | C6 | C7 | 52.6° | 34.1° |
| N2 | C5 | C6 | N4 | 136.2° | 145.6° |
| C5 | N2 | C4 | H9 | 95.4° | 81.3° |
| C5 | N2 | C4 | H10 | 143.9° | 155.6° |
| N1 | C5 | C6 | H13 | 124.1° | 122.1° |
| C5 | N1 | C2 | C1 | 95.3° | 170.0° |
| N1 | C5 | C6 | C7 | 166.4° | 150.0° |
| N1 | C5 | C6 | N4 | 22.4° | 29.7° |
| C5 | N1 | C2 | H4 | 144.0° | 50.0° |
| C5 | N1 | C2 | H5 | 25.5° | 70.0° |
| C5 | N1 | C3 | H7 | 132.8° | 118.1° |
| C5 | N1 | C3 | H8 | 106.4° | 120.2° |
| N1 | C5 | N2 | H11 | 149.2° | 157.6° |
| C2 | N1 | C5 | C6 | 39.0° | 95.4° |
| N1 | C2 | C1 | H4 | 120.8° | 120.0° |
| N1 | C2 | C1 | H5 | 120.7° | 120.0° |
| N1 | C2 | C1 | H1 | 180.0° | 60.0° |
| N1 | C2 | C1 | H2 | 60.0° | 180.0° |
| N1 | C2 | C1 | H3 | 60.0° | 60.0° |
| N1 | C2 | H4 | H5 | 117.7° | 120.1° |
| C2 | N1 | C3 | H7 | 56.2° | 3.1° |
| C2 | N1 | C3 | H8 | 64.5° | 118.7° |
| C2 | N1 | C5 | H13 | 84.8° | 26.7° |
| C5 | C6 | C7 | N4 | 171.1° | 179.7° |
| C5 | C6 | C7 | C8 | 175.2° | 180.0° |
| C5 | C6 | N4 | C10 | 173.6° | 179.7° |
| C6 | C5 | N2 | H11 | 83.2° | 83.4° |
| C5 | C6 | C7 | H14 | 4.8° | 0.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 117.7° | 120.0° |
| C6 | C7 | C8 | H14 | 180.0° | 180.0° |
| C7 | C6 | N4 | C10 | 2.5° | 0.6° |
| C6 | C7 | C8 | C9 | 2.3° | 0.1° |
| C7 | C6 | C5 | H13 | 69.5° | 87.9° |
| C6 | C7 | C8 | H15 | 177.7° | 180.0° |
| N4 | C6 | C7 | C8 | 4.1° | 0.2° |
| C6 | N4 | C10 | C9 | 1.0° | 0.5° |
| C6 | N4 | C10 | C11 | 178.1° | 179.7° |
| N4 | C6 | C5 | H13 | 101.7° | 92.4° |
| N4 | C6 | C7 | H14 | 175.9° | 179.7° |
| C7 | C8 | C9 | H15 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.1° | 0.1° |
| C7 | C8 | C9 | H16 | 178.9° | 180.0° |
| N4 | C10 | C9 | C8 | 2.8° | 0.2° |
| N4 | C10 | C9 | C11 | 177.0° | 179.7° |
| N4 | C10 | C11 | C12 | 17.8° | 0.6° |
| N4 | C10 | C11 | N3 | 160.0° | 179.7° |
| N4 | C10 | C9 | H16 | 177.2° | 179.7° |
| C8 | C9 | C10 | H16 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 179.8° | 179.9° |
| C9 | C8 | C7 | H14 | 177.7° | 180.0° |
| C9 | C10 | C11 | C12 | 165.0° | 179.7° |
| C9 | C10 | C11 | N3 | 17.1° | 0.0° |
| C10 | C9 | C8 | H15 | 179.0° | 180.0° |
| C10 | C11 | C12 | N3 | 177.7° | 179.7° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C10 | C11 | N3 | C15 | 179.5° | 179.8° |
| C11 | C10 | C9 | H16 | 0.2° | 0.0° |
| C10 | C11 | C12 | H17 | 0.5° | 0.0° |
| C11 | C12 | C13 | H17 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | N3 | C15 | 2.7° | 0.5° |
| C11 | C12 | C13 | H18 | 179.7° | 180.0° |
| C13 | C12 | C11 | N3 | 1.8° | 0.3° |
| C12 | C13 | C14 | H18 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H19 | 179.7° | 180.0° |
| C11 | N3 | C15 | C14 | 2.1° | 0.5° |
| N3 | C11 | C12 | H17 | 178.2° | 179.7° |
| C11 | N3 | C15 | H20 | 177.9° | 179.7° |
| C13 | C14 | C15 | N3 | 0.7° | 0.3° |
| C13 | C14 | C15 | H19 | 180.0° | 179.9° |
| C14 | C13 | C12 | H17 | 179.7° | 180.0° |
| C13 | C14 | C15 | H20 | 179.3° | 180.0° |
| N3 | C15 | C14 | H20 | 180.0° | 179.8° |
| N3 | C15 | C14 | H19 | 179.3° | 179.8° |
| C15 | C14 | C13 | H18 | 179.7° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.3° | 180.0° |
| H1 | C1 | C2 | H5 | 59.3° | 60.0° |
| H2 | C1 | C2 | H4 | 179.2° | 60.0° |
| H2 | C1 | C2 | H5 | 60.7° | 60.0° |
| H3 | C1 | C2 | H4 | 60.7° | 60.0° |
| H3 | C1 | C2 | H5 | 179.3° | 180.0° |
| H7 | C3 | C4 | H9 | 127.2° | 23.1° |
| H7 | C3 | C4 | H10 | 6.6° | 99.9° |
| H8 | C3 | C4 | H9 | 6.5° | 145.0° |
| H8 | C3 | C4 | H10 | 114.2° | 21.9° |
| H9 | C4 | N2 | H11 | 24.9° | 37.5° |
| H10 | C4 | N2 | H11 | 95.8° | 85.5° |
| H11 | N2 | C5 | H13 | 38.4° | 38.6° |
| H14 | C7 | C8 | H15 | 2.3° | 0.0° |
| H15 | C8 | C9 | H16 | 1.1° | 0.0° |
| H17 | C12 | C13 | H18 | 0.3° | 0.0° |
| H18 | C13 | C14 | H19 | 0.3° | 0.1° |
| H19 | C14 | C15 | H20 | 0.6° | 0.0° |
