WKP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C03 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.37Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.37Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C09 | sing | 1.47Å | 1.53Å | |
| C09 | O10 | doub | 1.21Å | 1.19Å | |
| C09 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.47Å | |
| C11 | C16 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | N14 | sing | 1.47Å | 1.48Å | |
| C15 | N14 | sing | 1.47Å | 1.49Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| N14 | H17 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 116.8° | 117.0° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O02 | C01 | H6 | 109.5° | 109.5° |
| O02 | C01 | H7 | 109.4° | 109.5° |
| O02 | C03 | C08 | 119.9° | 119.9° |
| O02 | C03 | C04 | 120.2° | 119.9° |
| C08 | C03 | C04 | 120.0° | 120.2° |
| C03 | C08 | C07 | 120.2° | 120.2° |
| C03 | C08 | H11 | 119.9° | 119.9° |
| C03 | C04 | C05 | 120.0° | 120.1° |
| C03 | C04 | H8 | 120.0° | 119.9° |
| C08 | C07 | C06 | 120.3° | 119.9° |
| C08 | C07 | H10 | 119.8° | 120.1° |
| C07 | C08 | H11 | 119.9° | 119.9° |
| C04 | C05 | C06 | 120.1° | 119.9° |
| C05 | C04 | H8 | 120.0° | 120.0° |
| C04 | C05 | H9 | 120.0° | 120.0° |
| C07 | C06 | C05 | 119.5° | 119.8° |
| C07 | C06 | C09 | 118.1° | 120.1° |
| C06 | C07 | H10 | 119.9° | 120.0° |
| C05 | C06 | C09 | 122.4° | 120.1° |
| C06 | C05 | H9 | 119.9° | 120.1° |
| C06 | C09 | O10 | 117.8° | 120.0° |
| C06 | C09 | C11 | 122.7° | 120.0° |
| O10 | C09 | C11 | 119.5° | 120.0° |
| C09 | C11 | C12 | 107.5° | 109.5° |
| C09 | C11 | C16 | 111.2° | 109.5° |
| C09 | C11 | H12 | 108.6° | 109.5° |
| C12 | C11 | C16 | 110.9° | 109.1° |
| C11 | C12 | C13 | 113.1° | 109.3° |
| C12 | C11 | H12 | 109.4° | 109.6° |
| C11 | C12 | H13 | 108.6° | 109.5° |
| C11 | C12 | H14 | 108.6° | 109.5° |
| C11 | C16 | C15 | 113.4° | 109.3° |
| C16 | C11 | H12 | 109.1° | 109.6° |
| C11 | C16 | H15 | 108.5° | 109.5° |
| C11 | C16 | H16 | 108.5° | 109.5° |
| C12 | C13 | N14 | 109.7° | 109.5° |
| C12 | C13 | H1 | 109.4° | 109.4° |
| C12 | C13 | H2 | 109.4° | 109.5° |
| C13 | C12 | H13 | 108.5° | 109.5° |
| C13 | C12 | H14 | 108.5° | 109.6° |
| C16 | C15 | N14 | 112.3° | 109.5° |
| C16 | C15 | H3 | 108.8° | 109.5° |
| C16 | C15 | H4 | 108.7° | 109.4° |
| C15 | C16 | H15 | 108.5° | 109.5° |
| C15 | C16 | H16 | 108.5° | 109.5° |
| C13 | N14 | C15 | 113.6° | 111.2° |
| N14 | C13 | H1 | 109.4° | 109.5° |
| N14 | C13 | H2 | 109.4° | 109.4° |
| C13 | N14 | H17 | 108.5° | 111.0° |
| N14 | C15 | H3 | 108.8° | 109.5° |
| N14 | C15 | H4 | 108.8° | 109.4° |
| C15 | N14 | H17 | 108.4° | 111.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C08 | 55.7° | 180.0° |
| C01 | O02 | C03 | C04 | 125.6° | 0.3° |
| O02 | C01 | H5 | H6 | 120.0° | 120.0° |
| O02 | C01 | H5 | H7 | 120.0° | 120.0° |
| O02 | C01 | H6 | H7 | 120.0° | 120.0° |
| O02 | C03 | C08 | C04 | 178.7° | 179.8° |
| O02 | C03 | C08 | C07 | 179.9° | 179.7° |
| O02 | C03 | C04 | C05 | 179.7° | 179.7° |
| C03 | O02 | C01 | H5 | 180.0° | 59.9° |
| C03 | O02 | C01 | H6 | 60.0° | 60.0° |
| C03 | O02 | C01 | H7 | 60.0° | 180.0° |
| O02 | C03 | C04 | H8 | 0.3° | 0.3° |
| O02 | C03 | C08 | H11 | 0.1° | 0.2° |
| C03 | C08 | C07 | H11 | 180.0° | 180.0° |
| C08 | C03 | C04 | C05 | 1.1° | 0.0° |
| C03 | C08 | C07 | C06 | 1.2° | 0.0° |
| C08 | C03 | C04 | H8 | 179.0° | 179.9° |
| C03 | C08 | C07 | H10 | 178.9° | 179.9° |
| C04 | C03 | C08 | C07 | 1.4° | 0.0° |
| C03 | C04 | C05 | H8 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C03 | C04 | C05 | H9 | 179.5° | 180.0° |
| C04 | C03 | C08 | H11 | 178.6° | 180.0° |
| C08 | C07 | C06 | H10 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.6° | 0.1° |
| C08 | C07 | C06 | C09 | 179.4° | 180.0° |
| C04 | C05 | C06 | C07 | 0.2° | 0.1° |
| C04 | C05 | C06 | H9 | 180.0° | 180.0° |
| C04 | C05 | C06 | C09 | 179.1° | 180.0° |
| C07 | C06 | C05 | C09 | 178.8° | 179.9° |
| C07 | C06 | C09 | O10 | 3.0° | 180.0° |
| C07 | C06 | C09 | C11 | 178.4° | 0.1° |
| C07 | C06 | C05 | H9 | 179.8° | 179.9° |
| C06 | C07 | C08 | H11 | 178.8° | 179.9° |
| C05 | C06 | C09 | O10 | 175.8° | 0.1° |
| C05 | C06 | C09 | C11 | 2.8° | 180.0° |
| C06 | C05 | C04 | H8 | 179.5° | 180.0° |
| C05 | C06 | C07 | H10 | 179.4° | 180.0° |
| C06 | C09 | O10 | C11 | 178.7° | 179.9° |
| C06 | C09 | C11 | C12 | 90.7° | 150.0° |
| C06 | C09 | C11 | C16 | 147.7° | 90.4° |
| C09 | C06 | C05 | H9 | 1.0° | 0.0° |
| C09 | C06 | C07 | H10 | 0.6° | 0.1° |
| C06 | C09 | C11 | H12 | 27.6° | 29.8° |
| O10 | C09 | C11 | C12 | 90.6° | 29.9° |
| O10 | C09 | C11 | C16 | 30.9° | 89.8° |
| O10 | C09 | C11 | H12 | 151.0° | 150.1° |
| C09 | C11 | C12 | C16 | 121.7° | 119.9° |
| C09 | C11 | C12 | H12 | 117.8° | 120.1° |
| C09 | C11 | C16 | H12 | 119.8° | 120.1° |
| C09 | C11 | C12 | C13 | 158.3° | 177.6° |
| C09 | C11 | C16 | C15 | 96.8° | 177.6° |
| C09 | C11 | C12 | H13 | 37.8° | 62.5° |
| C09 | C11 | C12 | H14 | 81.2° | 57.6° |
| C09 | C11 | C16 | H15 | 142.6° | 57.6° |
| C09 | C11 | C16 | H16 | 23.8° | 62.4° |
| C12 | C11 | C16 | H12 | 120.6° | 120.0° |
| C11 | C12 | C13 | H13 | 120.5° | 119.9° |
| C11 | C12 | C13 | H14 | 120.6° | 119.9° |
| C12 | C11 | C16 | C15 | 22.8° | 57.7° |
| C11 | C12 | C13 | N14 | 65.9° | 59.2° |
| C11 | C12 | C13 | H1 | 174.1° | 179.2° |
| C11 | C12 | C13 | H2 | 54.2° | 60.7° |
| C11 | C12 | H13 | H14 | 118.4° | 120.0° |
| C12 | C11 | C16 | H15 | 97.8° | 62.3° |
| C12 | C11 | C16 | H16 | 143.4° | 177.7° |
| C16 | C11 | C12 | C13 | 36.5° | 57.7° |
| C11 | C16 | C15 | H15 | 120.6° | 119.9° |
| C11 | C16 | C15 | H16 | 120.6° | 120.0° |
| C11 | C16 | C15 | N14 | 57.7° | 59.2° |
| C11 | C16 | C15 | H3 | 178.1° | 60.8° |
| C11 | C16 | C15 | H4 | 62.8° | 179.2° |
| C16 | C11 | C12 | H13 | 84.0° | 177.6° |
| C16 | C11 | C12 | H14 | 157.1° | 62.3° |
| C11 | C16 | H15 | H16 | 118.2° | 120.1° |
| C12 | C13 | N14 | H1 | 120.0° | 120.0° |
| C12 | C13 | N14 | H2 | 120.0° | 120.0° |
| C12 | C13 | N14 | C15 | 29.1° | 61.8° |
| C12 | C13 | H1 | H2 | 119.9° | 120.0° |
| C13 | C12 | C11 | H12 | 83.9° | 62.3° |
| C13 | C12 | H13 | H14 | 118.3° | 120.2° |
| C12 | C13 | N14 | H17 | 91.5° | 62.4° |
| C16 | C15 | N14 | C13 | 28.0° | 61.8° |
| C16 | C15 | N14 | H3 | 120.4° | 120.0° |
| C16 | C15 | N14 | H4 | 120.4° | 120.0° |
| C16 | C15 | H3 | H4 | 118.7° | 120.0° |
| C15 | C16 | C11 | H12 | 143.4° | 62.3° |
| C15 | C16 | H15 | H16 | 118.2° | 120.1° |
| C16 | C15 | N14 | H17 | 148.6° | 62.3° |
| C13 | N14 | C15 | H17 | 120.6° | 124.1° |
| N14 | C13 | H1 | H2 | 119.9° | 120.0° |
| C13 | N14 | C15 | H3 | 148.4° | 58.3° |
| C13 | N14 | C15 | H4 | 92.5° | 178.3° |
| N14 | C13 | C12 | H13 | 54.7° | 179.1° |
| N14 | C13 | C12 | H14 | 173.6° | 60.7° |
| C15 | N14 | C13 | H1 | 149.1° | 178.3° |
| C15 | N14 | C13 | H2 | 90.9° | 58.2° |
| N14 | C15 | H3 | H4 | 118.7° | 120.0° |
| N14 | C15 | C16 | H15 | 62.9° | 60.7° |
| N14 | C15 | C16 | H16 | 178.3° | 179.2° |
| H1 | C13 | C12 | H13 | 65.3° | 60.9° |
| H1 | C13 | C12 | H14 | 53.6° | 59.3° |
| H1 | C13 | N14 | H17 | 28.5° | 57.6° |
| H2 | C13 | C12 | H13 | 174.7° | 59.1° |
| H2 | C13 | C12 | H14 | 66.4° | 179.3° |
| H2 | C13 | N14 | H17 | 148.4° | 177.6° |
| H3 | C15 | C16 | H15 | 57.5° | 179.2° |
| H3 | C15 | C16 | H16 | 61.3° | 59.1° |
| H3 | C15 | N14 | H17 | 91.0° | 177.6° |
| H4 | C15 | C16 | H15 | 176.7° | 59.2° |
| H4 | C15 | C16 | H16 | 57.8° | 60.9° |
| H4 | C15 | N14 | H17 | 28.2° | 57.6° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H8 | C04 | C05 | H9 | 0.5° | 0.0° |
| H10 | C07 | C08 | H11 | 1.1° | 0.0° |
| H12 | C11 | C12 | H13 | 155.6° | 57.6° |
| H12 | C11 | C12 | H14 | 36.6° | 177.7° |
| H12 | C11 | C16 | H15 | 22.8° | 177.7° |
| H12 | C11 | C16 | H16 | 96.0° | 57.7° |
