WNC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C16 | doub | 1.22Å | 1.23Å | |
| C16 | O7 | sing | 1.34Å | 1.43Å | |
| C16 | C15 | sing | 1.47Å | 1.48Å | |
| O7 | C1 | sing | 1.45Å | 1.42Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | O5 | sing | 1.36Å | 1.35Å | |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.36Å | Aromatic |
| C12 | O4 | sing | 1.36Å | 1.36Å | |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | O3 | sing | 1.36Å | 1.38Å | |
| O3 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | O2 | sing | 1.43Å | 1.44Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O1 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | O | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C16 | O7 | 120.6° | 120.2° |
| O6 | C16 | C15 | 123.1° | 118.9° |
| O7 | C16 | C15 | 115.7° | 120.9° |
| C16 | O7 | C1 | 118.4° | 119.3° |
| C16 | C15 | C14 | 117.6° | 120.9° |
| C16 | C15 | C10 | 122.3° | 119.7° |
| O7 | C1 | C | 108.8° | 109.3° |
| O7 | C1 | C2 | 106.9° | 110.8° |
| O7 | C1 | H | 111.4° | 109.5° |
| C | C1 | C2 | 110.0° | 109.1° |
| C | C1 | H | 110.0° | 108.8° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H4 | 109.4° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 112.7° | 109.4° |
| C2 | C1 | H | 109.6° | 109.2° |
| C1 | C2 | H7 | 108.7° | 109.2° |
| C1 | C2 | H6 | 108.6° | 110.1° |
| C14 | C15 | C10 | 120.0° | 119.4° |
| C15 | C14 | O5 | 118.6° | 120.7° |
| C15 | C14 | C13 | 121.9° | 119.8° |
| C15 | C10 | C11 | 118.4° | 119.8° |
| C15 | C10 | O3 | 122.7° | 120.2° |
| O5 | C14 | C13 | 119.5° | 119.5° |
| C14 | O5 | H19 | 109.5° | 113.9° |
| C14 | C13 | C12 | 118.2° | 120.2° |
| C14 | C13 | H18 | 120.9° | 119.8° |
| C13 | C12 | O4 | 117.7° | 119.9° |
| C13 | C12 | C11 | 120.5° | 120.3° |
| C12 | C13 | H18 | 120.9° | 119.9° |
| O4 | C12 | C11 | 121.7° | 119.8° |
| C12 | O4 | H17 | 109.5° | 114.0° |
| C12 | C11 | C10 | 121.0° | 120.2° |
| C12 | C11 | H16 | 119.5° | 119.9° |
| C11 | C10 | O3 | 118.9° | 120.0° |
| C10 | C11 | H16 | 119.5° | 119.9° |
| C10 | O3 | C9 | 120.6° | 117.8° |
| O3 | C9 | C8 | 107.3° | 109.4° |
| O3 | C9 | H15 | 110.0° | 109.6° |
| O3 | C9 | H14 | 110.0° | 109.5° |
| C9 | C8 | C7 | 110.6° | 109.7° |
| C8 | C9 | H15 | 110.0° | 109.5° |
| C8 | C9 | H14 | 110.0° | 109.4° |
| C9 | C8 | H13 | 109.2° | 109.0° |
| C9 | C8 | H12 | 109.2° | 109.8° |
| C8 | C7 | O2 | 106.9° | 109.3° |
| C8 | C7 | C6 | 114.0° | 110.3° |
| C8 | C7 | H2 | 108.5° | 109.6° |
| C7 | C8 | H13 | 109.2° | 109.2° |
| C7 | C8 | H12 | 109.2° | 110.3° |
| O2 | C7 | C6 | 109.0° | 109.3° |
| O2 | C7 | H2 | 109.8° | 109.0° |
| C7 | O2 | H11 | 109.5° | 114.0° |
| C7 | C6 | O1 | 106.1° | 110.1° |
| C7 | C6 | C5 | 110.9° | 109.4° |
| C7 | C6 | H1 | 108.8° | 109.3° |
| C6 | C7 | H2 | 108.6° | 109.3° |
| O1 | C6 | C5 | 111.9° | 109.5° |
| C6 | O1 | H10 | 109.5° | 114.0° |
| O1 | C6 | H1 | 110.3° | 109.3° |
| C6 | C5 | O | 119.9° | 119.8° |
| C6 | C5 | C4 | 120.5° | 120.4° |
| C5 | C6 | H1 | 108.8° | 109.2° |
| O | C5 | C4 | 119.5° | 119.8° |
| C5 | C4 | C3 | 113.5° | 109.5° |
| C5 | C4 | H41 | 108.5° | 110.0° |
| C5 | C4 | H9 | 108.4° | 109.1° |
| C4 | C3 | C2 | 109.0° | 109.7° |
| C3 | C4 | H41 | 108.5° | 109.7° |
| C3 | C4 | H9 | 108.5° | 109.1° |
| C4 | C3 | H31 | 109.6° | 109.4° |
| C4 | C3 | H8 | 109.6° | 109.5° |
| C2 | C3 | H31 | 109.6° | 109.4° |
| C2 | C3 | H8 | 109.6° | 109.6° |
| C3 | C2 | H7 | 108.6° | 109.0° |
| C3 | C2 | H6 | 108.7° | 110.0° |
| H41 | C4 | H9 | 109.5° | 109.3° |
| H31 | C3 | H8 | 109.5° | 109.2° |
| H7 | C2 | H6 | 109.5° | 109.1° |
| H15 | C9 | H14 | 109.5° | 109.3° |
| H13 | C8 | H12 | 109.5° | 108.8° |
| H5 | C | H4 | 109.5° | 109.4° |
| H5 | C | H3 | 109.5° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C16 | O7 | C15 | 172.1° | 178.8° |
| O6 | C16 | O7 | C1 | 9.5° | 4.7° |
| O6 | C16 | C15 | C14 | 4.7° | 162.2° |
| O6 | C16 | C15 | C10 | 172.5° | 18.9° |
| C16 | O7 | C1 | C | 74.5° | 169.1° |
| C16 | O7 | C1 | C2 | 166.7° | 48.8° |
| O7 | C16 | C15 | C14 | 176.6° | 16.6° |
| O7 | C16 | C15 | C10 | 0.6° | 162.3° |
| C16 | O7 | C1 | H | 46.9° | 71.7° |
| C15 | C16 | O7 | C1 | 178.4° | 174.1° |
| C16 | C15 | C14 | C10 | 177.3° | 178.9° |
| C16 | C15 | C14 | O5 | 1.9° | 3.7° |
| C16 | C15 | C14 | C13 | 178.0° | 175.3° |
| C16 | C15 | C10 | C11 | 177.8° | 174.5° |
| C16 | C15 | C10 | O3 | 1.3° | 6.8° |
| O7 | C1 | C | C2 | 116.8° | 121.4° |
| O7 | C1 | C | H | 122.3° | 119.5° |
| O7 | C1 | C2 | H | 120.9° | 120.7° |
| O7 | C1 | C2 | C3 | 57.7° | 114.6° |
| O7 | C1 | C2 | H7 | 178.2° | 126.0° |
| O7 | C1 | C2 | H6 | 62.8° | 6.3° |
| O7 | C1 | C | H5 | 180.0° | 178.6° |
| O7 | C1 | C | H4 | 60.0° | 58.6° |
| O7 | C1 | C | H3 | 60.0° | 61.4° |
| C | C1 | C2 | H | 121.1° | 118.9° |
| C | C1 | C2 | C3 | 175.7° | 124.9° |
| C | C1 | C2 | H7 | 63.9° | 5.6° |
| C | C1 | C2 | H6 | 55.1° | 114.1° |
| C1 | C | H5 | H4 | 120.0° | 120.0° |
| C1 | C | H5 | H3 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 171.5° | 169.7° |
| C1 | C2 | C3 | H7 | 120.5° | 119.4° |
| C1 | C2 | C3 | H6 | 120.5° | 121.0° |
| C1 | C2 | C3 | H31 | 68.6° | 70.3° |
| C1 | C2 | C3 | H8 | 51.6° | 49.4° |
| C1 | C2 | H7 | H6 | 118.5° | 120.4° |
| C2 | C1 | C | H5 | 63.2° | 60.0° |
| C2 | C1 | C | H4 | 176.8° | 180.0° |
| C2 | C1 | C | H3 | 56.8° | 60.0° |
| C15 | C14 | O5 | C13 | 179.9° | 179.0° |
| C15 | C14 | C13 | C12 | 0.1° | 1.7° |
| C14 | C15 | C10 | C11 | 0.7° | 6.6° |
| C14 | C15 | C10 | O3 | 178.5° | 172.1° |
| C15 | C14 | C13 | H18 | 179.9° | 178.3° |
| C15 | C14 | O5 | H19 | 3.8° | 90.9° |
| C10 | C15 | C14 | O5 | 179.1° | 175.2° |
| C10 | C15 | C14 | C13 | 0.8° | 5.8° |
| C15 | C10 | C11 | C12 | 0.1° | 3.3° |
| C15 | C10 | C11 | O3 | 179.2° | 178.6° |
| C15 | C10 | O3 | C9 | 167.2° | 103.5° |
| C15 | C10 | C11 | H16 | 179.9° | 177.7° |
| O5 | C14 | C13 | C12 | 179.8° | 179.3° |
| O5 | C14 | C13 | H18 | 0.1° | 0.8° |
| C14 | C13 | C12 | H18 | 180.0° | 179.9° |
| C14 | C13 | C12 | O4 | 179.0° | 178.9° |
| C14 | C13 | C12 | C11 | 0.7° | 1.7° |
| C13 | C14 | O5 | H19 | 176.1° | 90.0° |
| C13 | C12 | O4 | C11 | 178.3° | 179.4° |
| C13 | C12 | C11 | C10 | 0.8° | 0.9° |
| C13 | C12 | C11 | H16 | 179.1° | 178.2° |
| C13 | C12 | O4 | H17 | 180.0° | 89.4° |
| O4 | C12 | C11 | C10 | 179.1° | 179.7° |
| O4 | C12 | C11 | H16 | 0.9° | 1.3° |
| O4 | C12 | C13 | H18 | 0.9° | 1.0° |
| C12 | C11 | C10 | H16 | 180.0° | 179.0° |
| C12 | C11 | C10 | O3 | 179.3° | 175.4° |
| C11 | C12 | C13 | H18 | 179.3° | 178.4° |
| C11 | C12 | O4 | H17 | 1.7° | 90.0° |
| C11 | C10 | O3 | C9 | 13.7° | 77.9° |
| C10 | O3 | C9 | C8 | 178.0° | 179.2° |
| O3 | C10 | C11 | H16 | 0.7° | 3.6° |
| C10 | O3 | C9 | H15 | 62.3° | 60.6° |
| C10 | O3 | C9 | H14 | 58.3° | 59.3° |
| O3 | C9 | C8 | H15 | 119.7° | 120.2° |
| O3 | C9 | C8 | H14 | 119.6° | 120.0° |
| O3 | C9 | C8 | C7 | 73.4° | 107.5° |
| O3 | C9 | H15 | H14 | 121.0° | 120.0° |
| O3 | C9 | C8 | H13 | 46.8° | 133.0° |
| O3 | C9 | C8 | H12 | 166.4° | 13.8° |
| C9 | C8 | C7 | H13 | 120.1° | 119.4° |
| C9 | C8 | C7 | H12 | 120.2° | 121.0° |
| C9 | C8 | C7 | O2 | 68.5° | 132.9° |
| C9 | C8 | C7 | C6 | 171.1° | 106.9° |
| C9 | C8 | C7 | H2 | 49.9° | 13.5° |
| C8 | C9 | H15 | H14 | 121.0° | 119.8° |
| C9 | C8 | H13 | H12 | 119.5° | 119.7° |
| C8 | C7 | O2 | C6 | 123.6° | 120.8° |
| C8 | C7 | O2 | H2 | 117.5° | 119.7° |
| C8 | C7 | C6 | H2 | 121.1° | 120.5° |
| C8 | C7 | C6 | O1 | 51.9° | 33.7° |
| C8 | C7 | C6 | C5 | 69.8° | 154.0° |
| C8 | C7 | C6 | H1 | 170.6° | 86.4° |
| C7 | C8 | C9 | H15 | 166.9° | 12.7° |
| C7 | C8 | C9 | H14 | 46.3° | 132.5° |
| C7 | C8 | H13 | H12 | 119.5° | 120.5° |
| C8 | C7 | O2 | H11 | 180.0° | 59.2° |
| O2 | C7 | C6 | H2 | 119.6° | 119.3° |
| O2 | C7 | C6 | O1 | 67.4° | 153.8° |
| O2 | C7 | C6 | C5 | 170.9° | 85.8° |
| O2 | C7 | C6 | H1 | 51.3° | 33.8° |
| O2 | C7 | C8 | H13 | 171.4° | 13.5° |
| O2 | C7 | C8 | H12 | 51.7° | 106.0° |
| C7 | C6 | O1 | C5 | 121.1° | 120.3° |
| C7 | C6 | O1 | H1 | 117.6° | 120.1° |
| C7 | C6 | C5 | H1 | 119.6° | 119.6° |
| C7 | C6 | C5 | O | 99.4° | 39.5° |
| C7 | C6 | C5 | C4 | 82.0° | 140.6° |
| C7 | C6 | O1 | H10 | 112.8° | 179.7° |
| C6 | C7 | C8 | H13 | 50.9° | 133.7° |
| C6 | C7 | C8 | H12 | 68.8° | 14.1° |
| C6 | C7 | O2 | H11 | 56.4° | 180.0° |
| O1 | C6 | C5 | H1 | 122.1° | 119.7° |
| O1 | C6 | C5 | O | 18.9° | 160.2° |
| O1 | C6 | C5 | C4 | 159.7° | 19.9° |
| O1 | C6 | C7 | H2 | 173.0° | 86.9° |
| C6 | C5 | O | C4 | 178.7° | 179.9° |
| C6 | C5 | C4 | C3 | 92.5° | 101.5° |
| C5 | C6 | O1 | H10 | 8.3° | 60.0° |
| C5 | C6 | C7 | H2 | 51.3° | 33.5° |
| C6 | C5 | C4 | H41 | 146.9° | 19.2° |
| C6 | C5 | C4 | H9 | 28.1° | 139.1° |
| O | C5 | C4 | C3 | 88.8° | 78.6° |
| O | C5 | C6 | H1 | 141.0° | 80.2° |
| O | C5 | C4 | H41 | 31.7° | 160.7° |
| O | C5 | C4 | H9 | 150.5° | 40.7° |
| C5 | C4 | C3 | H41 | 120.6° | 120.9° |
| C5 | C4 | C3 | H9 | 120.6° | 119.4° |
| C5 | C4 | C3 | C2 | 68.5° | 123.3° |
| C4 | C5 | C6 | H1 | 37.6° | 99.7° |
| C5 | C4 | H41 | H9 | 118.2° | 119.8° |
| C5 | C4 | C3 | H31 | 171.6° | 116.6° |
| C5 | C4 | C3 | H8 | 51.4° | 3.0° |
| C4 | C3 | C2 | H31 | 119.9° | 120.1° |
| C4 | C3 | C2 | H8 | 119.9° | 120.3° |
| C3 | C4 | H41 | H9 | 118.2° | 119.6° |
| C4 | C3 | H31 | H8 | 120.2° | 119.9° |
| C4 | C3 | C2 | H7 | 68.0° | 70.9° |
| C4 | C3 | C2 | H6 | 51.0° | 48.7° |
| C3 | C2 | C1 | H | 63.2° | 6.1° |
| C2 | C3 | C4 | H41 | 52.0° | 2.5° |
| C2 | C3 | C4 | H9 | 170.9° | 117.3° |
| C2 | C3 | H31 | H8 | 120.3° | 119.9° |
| C3 | C2 | H7 | H6 | 118.5° | 120.1° |
| H10 | O1 | C6 | H1 | 129.6° | 59.6° |
| H1 | C6 | C7 | H2 | 68.3° | 153.0° |
| H2 | C7 | C8 | H13 | 70.3° | 105.9° |
| H2 | C7 | C8 | H12 | 170.1° | 134.5° |
| H2 | C7 | O2 | H11 | 62.5° | 60.5° |
| H | C1 | C2 | H7 | 57.2° | 113.3° |
| H | C1 | C2 | H6 | 176.3° | 127.0° |
| H | C1 | C | H5 | 57.7° | 59.1° |
| H | C1 | C | H4 | 62.3° | 60.9° |
| H | C1 | C | H3 | 177.7° | 179.1° |
| H41 | C4 | C3 | H31 | 67.9° | 122.5° |
| H41 | C4 | C3 | H8 | 172.0° | 117.9° |
| H9 | C4 | C3 | H31 | 51.0° | 2.8° |
| H9 | C4 | C3 | H8 | 69.2° | 122.4° |
| H31 | C3 | C2 | H7 | 51.9° | 49.2° |
| H31 | C3 | C2 | H6 | 170.9° | 168.7° |
| H8 | C3 | C2 | H7 | 172.0° | 168.8° |
| H8 | C3 | C2 | H6 | 68.9° | 71.7° |
| H15 | C9 | C8 | H13 | 72.9° | 106.8° |
| H15 | C9 | C8 | H12 | 46.8° | 134.1° |
| H14 | C9 | C8 | H13 | 166.4° | 13.0° |
| H14 | C9 | C8 | H12 | 73.9° | 106.1° |
| H5 | C | H4 | H3 | 120.0° | 120.0° |
