WK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | O27 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| O27 | C24 | sing | 1.36Å | 1.38Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.46Å | 1.47Å | |
| N30 | C31 | sing | 1.47Å | 1.46Å | |
| N30 | C32 | sing | 1.47Å | 1.47Å | |
| C25 | C31 | sing | 1.52Å | 1.51Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C08 | sing | 1.48Å | 1.48Å | |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| N01 | C10 | doub | 1.34Å | 1.35Å | Aromatic |
| N01 | C02 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | C05 | sing | 1.42Å | 1.39Å | Aromatic |
| N02 | C02 | sing | 1.39Å | 1.35Å | |
| C07 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.36Å | 1.39Å | Aromatic |
| C04 | C11 | sing | 1.51Å | 1.52Å | |
| C32 | H1 | sing | 1.09Å | 1.10Å | |
| C32 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C03 | H16 | sing | 1.08Å | 1.08Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å | |
| N02 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C28 | C29 | 112.1° | 110.8° |
| C28 | O27 | C24 | 127.2° | 115.4° |
| O27 | C28 | H7 | 108.8° | 109.2° |
| O27 | C28 | H8 | 108.8° | 109.2° |
| C28 | C29 | N30 | 108.0° | 113.6° |
| C29 | C28 | H7 | 108.8° | 109.3° |
| C29 | C28 | H8 | 108.8° | 109.2° |
| C28 | C29 | H9 | 109.9° | 108.7° |
| C28 | C29 | H10 | 109.8° | 108.6° |
| O27 | C24 | C23 | 116.8° | 120.0° |
| O27 | C24 | C25 | 124.5° | 119.9° |
| C24 | C23 | C22 | 122.1° | 119.8° |
| C23 | C24 | C25 | 118.7° | 120.1° |
| C24 | C23 | H5 | 118.9° | 120.1° |
| C23 | C22 | C21 | 119.1° | 120.1° |
| C23 | C22 | H4 | 120.4° | 119.9° |
| C22 | C23 | H5 | 118.9° | 120.1° |
| C24 | C25 | C31 | 124.7° | 119.4° |
| C24 | C25 | C26 | 118.7° | 120.6° |
| C22 | C21 | C26 | 118.8° | 119.9° |
| C22 | C21 | C08 | 122.8° | 120.1° |
| C21 | C22 | H4 | 120.5° | 120.0° |
| C29 | N30 | C31 | 108.3° | 112.6° |
| C29 | N30 | C32 | 109.9° | 111.0° |
| N30 | C29 | H9 | 109.8° | 108.7° |
| N30 | C29 | H10 | 109.8° | 108.7° |
| C31 | N30 | C32 | 111.6° | 111.0° |
| N30 | C31 | C25 | 112.8° | 108.8° |
| N30 | C31 | H18 | 108.6° | 109.6° |
| N30 | C31 | H19 | 108.6° | 109.7° |
| N30 | C32 | H1 | 109.5° | 109.5° |
| N30 | C32 | H2 | 109.5° | 109.5° |
| N30 | C32 | H3 | 109.4° | 109.4° |
| C31 | C25 | C26 | 116.7° | 120.1° |
| C25 | C31 | H18 | 108.7° | 109.6° |
| C25 | C31 | H19 | 108.6° | 109.6° |
| C25 | C26 | C21 | 122.5° | 119.5° |
| C25 | C26 | H6 | 118.8° | 120.2° |
| C26 | C21 | C08 | 118.0° | 120.0° |
| C21 | C26 | H6 | 118.7° | 120.2° |
| C21 | C08 | C09 | 118.4° | 119.7° |
| C21 | C08 | C07 | 121.4° | 119.7° |
| C08 | C09 | C10 | 120.1° | 119.5° |
| C09 | C08 | C07 | 119.8° | 120.6° |
| C08 | C09 | H15 | 119.9° | 120.3° |
| C09 | C10 | N01 | 119.7° | 120.8° |
| C09 | C10 | C05 | 120.4° | 119.2° |
| C10 | C09 | H15 | 120.0° | 120.2° |
| C08 | C07 | C06 | 119.9° | 120.7° |
| C08 | C07 | H14 | 120.1° | 119.6° |
| C10 | N01 | C02 | 121.8° | 121.3° |
| N01 | C10 | C05 | 119.9° | 119.9° |
| N01 | C02 | N02 | 119.9° | 119.3° |
| N01 | C02 | C03 | 119.7° | 121.5° |
| C10 | C05 | C06 | 119.4° | 119.9° |
| C10 | C05 | C04 | 119.7° | 119.0° |
| N02 | C02 | C03 | 120.4° | 119.2° |
| C02 | N02 | H20 | 109.5° | 120.1° |
| C02 | N02 | H21 | 109.5° | 120.0° |
| C07 | C06 | C05 | 120.2° | 120.0° |
| C06 | C07 | H14 | 120.0° | 119.7° |
| C07 | C06 | H17 | 119.9° | 120.0° |
| C02 | C03 | C04 | 119.6° | 119.9° |
| C02 | C03 | H16 | 120.1° | 120.1° |
| C06 | C05 | C04 | 120.9° | 121.0° |
| C05 | C06 | H17 | 119.9° | 120.0° |
| C05 | C04 | C03 | 119.2° | 118.3° |
| C05 | C04 | C11 | 120.9° | 120.8° |
| C03 | C04 | C11 | 119.9° | 120.8° |
| C04 | C03 | H16 | 120.2° | 120.0° |
| C04 | C11 | H11 | 109.5° | 109.5° |
| C04 | C11 | H12 | 109.5° | 109.5° |
| C04 | C11 | H13 | 109.5° | 109.4° |
| H1 | C32 | H2 | 109.5° | 109.5° |
| H1 | C32 | H3 | 109.5° | 109.4° |
| H2 | C32 | H3 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.2° |
| H9 | C29 | H10 | 109.5° | 108.5° |
| H11 | C11 | H12 | 109.4° | 109.5° |
| H11 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H18 | C31 | H19 | 109.4° | 109.5° |
| H20 | N02 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C28 | C29 | H7 | 120.4° | 120.3° |
| O27 | C28 | C29 | H8 | 120.4° | 120.3° |
| C28 | O27 | C24 | C23 | 138.8° | 109.9° |
| C28 | O27 | C24 | C25 | 43.1° | 68.5° |
| O27 | C28 | C29 | N30 | 73.8° | 65.2° |
| O27 | C28 | H7 | H8 | 118.8° | 119.3° |
| O27 | C28 | C29 | H9 | 46.0° | 55.8° |
| O27 | C28 | C29 | H10 | 166.5° | 173.7° |
| C29 | C28 | O27 | C24 | 62.7° | 85.6° |
| C28 | C29 | N30 | H9 | 119.8° | 121.1° |
| C28 | C29 | N30 | H10 | 119.8° | 121.0° |
| C28 | C29 | N30 | C31 | 90.4° | 68.7° |
| C28 | C29 | N30 | C32 | 147.5° | 166.1° |
| C29 | C28 | H7 | H8 | 118.8° | 119.4° |
| C28 | C29 | H9 | H10 | 120.7° | 118.0° |
| O27 | C24 | C23 | C25 | 178.2° | 178.4° |
| O27 | C24 | C23 | C22 | 179.3° | 177.8° |
| O27 | C24 | C25 | C31 | 0.9° | 3.1° |
| O27 | C24 | C25 | C26 | 178.8° | 177.6° |
| O27 | C24 | C23 | H5 | 0.7° | 2.4° |
| C24 | O27 | C28 | H7 | 176.9° | 34.7° |
| C24 | O27 | C28 | H8 | 57.7° | 154.1° |
| C24 | C23 | C22 | H5 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 1.1° | 0.1° |
| C23 | C24 | C25 | C31 | 178.9° | 178.5° |
| C23 | C24 | C25 | C26 | 0.8° | 0.8° |
| C24 | C23 | C22 | H4 | 178.9° | 179.8° |
| C22 | C23 | C24 | C25 | 1.1° | 0.6° |
| C23 | C22 | C21 | H4 | 180.0° | 179.7° |
| C23 | C22 | C21 | C26 | 3.6° | 0.6° |
| C23 | C22 | C21 | C08 | 176.4° | 179.3° |
| C24 | C25 | C31 | N30 | 46.8° | 68.4° |
| C24 | C25 | C31 | C26 | 179.7° | 179.3° |
| C24 | C25 | C26 | C21 | 1.8° | 0.3° |
| C25 | C24 | C23 | H5 | 178.9° | 179.3° |
| C24 | C25 | C26 | H6 | 178.2° | 179.3° |
| C24 | C25 | C31 | H18 | 73.7° | 171.7° |
| C24 | C25 | C31 | H19 | 167.4° | 51.5° |
| C22 | C21 | C26 | C25 | 4.1° | 0.5° |
| C22 | C21 | C26 | C08 | 173.2° | 179.9° |
| C22 | C21 | C08 | C09 | 26.0° | 0.1° |
| C22 | C21 | C08 | C07 | 160.6° | 180.0° |
| C21 | C22 | C23 | H5 | 178.9° | 180.0° |
| C22 | C21 | C26 | H6 | 175.9° | 180.0° |
| C29 | N30 | C31 | C32 | 121.0° | 125.1° |
| C29 | N30 | C31 | C25 | 82.9° | 84.3° |
| C29 | N30 | C32 | H1 | 180.0° | 56.0° |
| C29 | N30 | C32 | H2 | 60.0° | 176.1° |
| C29 | N30 | C32 | H3 | 60.0° | 63.9° |
| N30 | C29 | C28 | H7 | 165.9° | 55.1° |
| N30 | C29 | C28 | H8 | 46.6° | 174.5° |
| N30 | C29 | H9 | H10 | 120.6° | 118.0° |
| C29 | N30 | C31 | H18 | 37.6° | 155.9° |
| C29 | N30 | C31 | H19 | 156.6° | 35.5° |
| N30 | C31 | C25 | H18 | 120.5° | 119.9° |
| N30 | C31 | C25 | H19 | 120.5° | 119.9° |
| N30 | C31 | C25 | C26 | 133.5° | 112.3° |
| C31 | N30 | C32 | H1 | 59.9° | 178.0° |
| C31 | N30 | C32 | H2 | 60.1° | 57.9° |
| C31 | N30 | C32 | H3 | 179.9° | 62.1° |
| C31 | N30 | C29 | H9 | 29.4° | 52.3° |
| C31 | N30 | C29 | H10 | 149.8° | 170.3° |
| N30 | C31 | H18 | H19 | 118.5° | 120.4° |
| C32 | N30 | C31 | C25 | 156.0° | 150.6° |
| N30 | C32 | H1 | H2 | 120.0° | 120.1° |
| N30 | C32 | H1 | H3 | 120.0° | 119.9° |
| N30 | C32 | H2 | H3 | 120.0° | 120.0° |
| C32 | N30 | C29 | H9 | 92.7° | 72.8° |
| C32 | N30 | C29 | H10 | 27.8° | 45.1° |
| C32 | N30 | C31 | H18 | 83.4° | 30.7° |
| C32 | N30 | C31 | H19 | 35.5° | 89.6° |
| C31 | C25 | C26 | C21 | 178.5° | 179.0° |
| C31 | C25 | C26 | H6 | 1.5° | 1.4° |
| C25 | C31 | H18 | H19 | 118.5° | 120.2° |
| C25 | C26 | C21 | H6 | 180.0° | 179.6° |
| C25 | C26 | C21 | C08 | 177.2° | 179.5° |
| C26 | C25 | C31 | H18 | 106.0° | 7.6° |
| C26 | C25 | C31 | H19 | 13.0° | 127.8° |
| C26 | C21 | C08 | C09 | 146.9° | 179.9° |
| C26 | C21 | C08 | C07 | 26.5° | 0.0° |
| C26 | C21 | C22 | H4 | 176.4° | 179.7° |
| C21 | C08 | C09 | C07 | 173.5° | 179.9° |
| C21 | C08 | C09 | C10 | 176.4° | 179.9° |
| C21 | C08 | C07 | C06 | 176.0° | 180.0° |
| C08 | C21 | C22 | H4 | 3.6° | 0.4° |
| C08 | C21 | C26 | H6 | 2.8° | 0.1° |
| C21 | C08 | C07 | H14 | 4.0° | 0.1° |
| C21 | C08 | C09 | H15 | 3.6° | 0.0° |
| C08 | C09 | C10 | H15 | 180.0° | 180.0° |
| C08 | C09 | C10 | N01 | 178.4° | 180.0° |
| C08 | C09 | C10 | C05 | 1.9° | 0.0° |
| C09 | C08 | C07 | C06 | 2.7° | 0.1° |
| C09 | C08 | C07 | H14 | 177.3° | 180.0° |
| C10 | C09 | C08 | C07 | 2.9° | 0.1° |
| C09 | C10 | N01 | C05 | 179.7° | 180.0° |
| C09 | C10 | N01 | C02 | 180.0° | 180.0° |
| C09 | C10 | C05 | C06 | 0.7° | 0.0° |
| C09 | C10 | C05 | C04 | 179.8° | 180.0° |
| C08 | C07 | C06 | H14 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 1.5° | 0.1° |
| C07 | C08 | C09 | H15 | 177.1° | 179.9° |
| C08 | C07 | C06 | H17 | 178.5° | 179.9° |
| C10 | N01 | C02 | N02 | 180.0° | 179.7° |
| C10 | N01 | C02 | C03 | 0.6° | 0.0° |
| N01 | C10 | C05 | C06 | 179.6° | 179.9° |
| N01 | C10 | C05 | C04 | 0.1° | 0.0° |
| N01 | C10 | C09 | H15 | 1.6° | 0.0° |
| C02 | N01 | C10 | C05 | 0.3° | 0.0° |
| N01 | C02 | N02 | C03 | 179.3° | 179.7° |
| N01 | C02 | C03 | C04 | 0.8° | 0.0° |
| N01 | C02 | C03 | H16 | 179.1° | 180.0° |
| N01 | C02 | N02 | H20 | 0.0° | 179.8° |
| N01 | C02 | N02 | H21 | 120.0° | 0.3° |
| C10 | C05 | C06 | C07 | 0.5° | 0.0° |
| C10 | C05 | C06 | C04 | 179.5° | 180.0° |
| C10 | C05 | C04 | C03 | 0.3° | 0.0° |
| C10 | C05 | C04 | C11 | 179.3° | 179.9° |
| C05 | C10 | C09 | H15 | 178.1° | 180.0° |
| C10 | C05 | C06 | H17 | 179.5° | 180.0° |
| N02 | C02 | C03 | C04 | 179.8° | 179.7° |
| N02 | C02 | C03 | H16 | 0.2° | 0.3° |
| C02 | N02 | H20 | H21 | 120.0° | 179.9° |
| C07 | C06 | C05 | H17 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.0° |
| C02 | C03 | C04 | H16 | 180.0° | 180.0° |
| C02 | C03 | C04 | C11 | 179.7° | 180.0° |
| C03 | C02 | N02 | H20 | 179.4° | 0.0° |
| C03 | C02 | N02 | H21 | 59.3° | 180.0° |
| C06 | C05 | C04 | C03 | 179.8° | 179.9° |
| C06 | C05 | C04 | C11 | 1.2° | 0.1° |
| C05 | C06 | C07 | H14 | 178.5° | 180.0° |
| C05 | C04 | C03 | C11 | 179.0° | 180.0° |
| C05 | C04 | C11 | H11 | 90.6° | 90.0° |
| C05 | C04 | C11 | H12 | 149.4° | 150.0° |
| C05 | C04 | C11 | H13 | 29.5° | 30.0° |
| C05 | C04 | C03 | H16 | 179.3° | 180.0° |
| C04 | C05 | C06 | H17 | 0.0° | 0.0° |
| C03 | C04 | C11 | H11 | 90.5° | 90.0° |
| C03 | C04 | C11 | H12 | 29.5° | 30.0° |
| C03 | C04 | C11 | H13 | 149.5° | 150.0° |
| C04 | C11 | H11 | H12 | 120.0° | 120.0° |
| C04 | C11 | H11 | H13 | 120.0° | 119.9° |
| C04 | C11 | H12 | H13 | 120.0° | 120.0° |
| C11 | C04 | C03 | H16 | 0.3° | 0.0° |
| H1 | C32 | H2 | H3 | 120.0° | 120.0° |
| H4 | C22 | C23 | H5 | 1.1° | 0.4° |
| H7 | C28 | C29 | H9 | 74.3° | 176.1° |
| H7 | C28 | C29 | H10 | 46.1° | 65.9° |
| H8 | C28 | C29 | H9 | 166.4° | 64.5° |
| H8 | C28 | C29 | H10 | 73.1° | 53.4° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C07 | C06 | H17 | 1.5° | 0.0° |
