W6Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.51Å | 1.48Å | |
| C28 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.44Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C15 | sing | 1.51Å | 1.52Å | |
| O9 | C7 | sing | 1.43Å | 1.40Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C7 | C11 | sing | 1.51Å | 1.56Å | |
| C7 | C2 | sing | 1.53Å | 1.53Å | |
| C11 | O12 | doub | 1.21Å | 1.26Å | |
| C11 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | C15 | sing | 1.46Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | N1 | sing | 1.47Å | 1.42Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| O9 | H2 | sing | 0.97Å | 0.95Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| N13 | H10 | sing | 0.97Å | 1.00Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C26 | 119.1° | 120.0° |
| C29 | C28 | C33 | 122.5° | 120.0° |
| C28 | C29 | H14 | 109.5° | 109.5° |
| C28 | C29 | H15 | 109.5° | 109.5° |
| C28 | C29 | H16 | 109.5° | 109.5° |
| C26 | C28 | C33 | 118.4° | 120.0° |
| C28 | C26 | C24 | 119.8° | 120.0° |
| C28 | C26 | H17 | 120.1° | 120.0° |
| C28 | C33 | C18 | 121.2° | 120.0° |
| C28 | C33 | H13 | 119.4° | 120.0° |
| C26 | C24 | C19 | 122.6° | 120.0° |
| C24 | C26 | H17 | 120.1° | 120.0° |
| C26 | C24 | H18 | 118.7° | 120.0° |
| C33 | C18 | C19 | 119.7° | 120.0° |
| C33 | C18 | C15 | 118.4° | 120.0° |
| C18 | C33 | H13 | 119.4° | 120.0° |
| C24 | C19 | C18 | 118.2° | 120.0° |
| C24 | C19 | C20 | 116.7° | 120.0° |
| C19 | C24 | H18 | 118.7° | 120.0° |
| C19 | C18 | C15 | 121.9° | 120.0° |
| C18 | C19 | C20 | 125.1° | 120.0° |
| C18 | C15 | N13 | 107.0° | 109.5° |
| C18 | C15 | H11 | 110.1° | 109.5° |
| C18 | C15 | H12 | 110.1° | 109.4° |
| O9 | C7 | C11 | 102.8° | 109.4° |
| O9 | C7 | C2 | 111.9° | 109.5° |
| O9 | C7 | H1 | 109.6° | 109.5° |
| C7 | O9 | H2 | 109.5° | 114.0° |
| C19 | C20 | H19 | 109.5° | 109.5° |
| C19 | C20 | H20 | 109.4° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C11 | C7 | C2 | 116.8° | 109.4° |
| C7 | C11 | O12 | 118.4° | 120.0° |
| C7 | C11 | N13 | 120.1° | 120.0° |
| C11 | C7 | H1 | 107.5° | 109.5° |
| C7 | C2 | C3 | 111.1° | 109.5° |
| C7 | C2 | N1 | 106.0° | 109.5° |
| C2 | C7 | H1 | 107.8° | 109.5° |
| C7 | C2 | H3 | 109.2° | 109.5° |
| O12 | C11 | N13 | 121.5° | 120.0° |
| C11 | N13 | C15 | 126.4° | 120.0° |
| C11 | N13 | H10 | 116.8° | 120.0° |
| C15 | N13 | H10 | 116.8° | 120.0° |
| N13 | C15 | H11 | 110.1° | 109.5° |
| N13 | C15 | H12 | 110.1° | 109.5° |
| C3 | C2 | N1 | 111.0° | 109.4° |
| C3 | C2 | H3 | 108.9° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.4° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.5° |
| N1 | C2 | H3 | 110.7° | 109.5° |
| C2 | N1 | H7 | 109.5° | 111.0° |
| C2 | N1 | H8 | 109.5° | 111.0° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | N1 | H8 | 109.4° | 111.1° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H14 | C29 | H15 | 109.5° | 109.5° |
| H14 | C29 | H16 | 109.4° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H19 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C26 | C33 | 179.7° | 179.9° |
| C29 | C28 | C26 | C24 | 179.0° | 180.0° |
| C29 | C28 | C33 | C18 | 179.7° | 180.0° |
| C29 | C28 | C33 | H13 | 0.3° | 0.1° |
| C28 | C29 | H14 | H15 | 120.0° | 120.0° |
| C28 | C29 | H14 | H16 | 120.0° | 120.0° |
| C28 | C29 | H15 | H16 | 120.0° | 120.0° |
| C29 | C28 | C26 | H17 | 1.1° | 0.1° |
| C28 | C26 | C24 | H17 | 180.0° | 179.9° |
| C26 | C28 | C33 | C18 | 0.7° | 0.1° |
| C28 | C26 | C24 | C19 | 1.2° | 0.1° |
| C26 | C28 | C33 | H13 | 179.3° | 180.0° |
| C26 | C28 | C29 | H14 | 89.8° | 90.0° |
| C26 | C28 | C29 | H15 | 150.2° | 150.0° |
| C26 | C28 | C29 | H16 | 30.2° | 30.0° |
| C28 | C26 | C24 | H18 | 178.8° | 179.9° |
| C33 | C28 | C26 | C24 | 0.7° | 0.1° |
| C28 | C33 | C18 | H13 | 180.0° | 179.9° |
| C28 | C33 | C18 | C19 | 1.6° | 0.1° |
| C28 | C33 | C18 | C15 | 175.5° | 179.8° |
| C33 | C28 | C29 | H14 | 89.8° | 90.0° |
| C33 | C28 | C29 | H15 | 30.2° | 30.0° |
| C33 | C28 | C29 | H16 | 150.2° | 149.9° |
| C33 | C28 | C26 | H17 | 179.3° | 180.0° |
| C26 | C24 | C19 | H18 | 180.0° | 180.0° |
| C26 | C24 | C19 | C18 | 0.2° | 0.0° |
| C26 | C24 | C19 | C20 | 178.8° | 179.7° |
| C33 | C18 | C19 | C24 | 1.2° | 0.0° |
| C33 | C18 | C19 | C15 | 177.0° | 179.7° |
| C33 | C18 | C19 | C20 | 179.9° | 179.7° |
| C33 | C18 | C15 | N13 | 55.5° | 99.7° |
| C33 | C18 | C15 | H11 | 64.1° | 140.3° |
| C33 | C18 | C15 | H12 | 175.1° | 20.3° |
| C24 | C19 | C18 | C20 | 179.0° | 179.8° |
| C24 | C19 | C18 | C15 | 175.8° | 179.8° |
| C19 | C24 | C26 | H17 | 178.8° | 180.0° |
| C24 | C19 | C20 | H19 | 89.6° | 90.2° |
| C24 | C19 | C20 | H20 | 150.4° | 29.8° |
| C24 | C19 | C20 | H21 | 30.4° | 149.7° |
| C19 | C18 | C15 | N13 | 121.5° | 80.0° |
| C19 | C18 | C15 | H11 | 118.8° | 40.0° |
| C19 | C18 | C15 | H12 | 1.9° | 160.0° |
| C19 | C18 | C33 | H13 | 178.4° | 180.0° |
| C18 | C19 | C24 | H18 | 179.8° | 180.0° |
| C18 | C19 | C20 | H19 | 89.4° | 90.0° |
| C18 | C19 | C20 | H20 | 30.6° | 150.0° |
| C18 | C19 | C20 | H21 | 150.6° | 30.1° |
| C15 | C18 | C19 | C20 | 3.1° | 0.0° |
| C18 | C15 | N13 | C11 | 51.5° | 180.0° |
| C18 | C15 | N13 | H11 | 119.6° | 120.0° |
| C18 | C15 | N13 | H12 | 119.6° | 120.0° |
| C18 | C15 | N13 | H10 | 128.5° | 0.0° |
| C18 | C15 | H11 | H12 | 121.1° | 120.0° |
| C15 | C18 | C33 | H13 | 4.5° | 0.3° |
| O9 | C7 | C11 | C2 | 123.0° | 120.0° |
| O9 | C7 | C11 | H1 | 115.6° | 120.0° |
| O9 | C7 | C2 | H1 | 120.6° | 120.1° |
| O9 | C7 | C11 | O12 | 11.3° | 4.9° |
| O9 | C7 | C11 | N13 | 168.0° | 174.7° |
| O9 | C7 | C2 | C3 | 59.2° | 60.0° |
| O9 | C7 | C2 | N1 | 61.5° | 59.9° |
| O9 | C7 | C2 | H3 | 179.3° | 180.0° |
| C20 | C19 | C24 | H18 | 1.2° | 0.2° |
| C19 | C20 | H19 | H20 | 120.0° | 120.0° |
| C19 | C20 | H19 | H21 | 120.0° | 120.0° |
| C19 | C20 | H20 | H21 | 120.0° | 119.9° |
| C11 | C7 | C2 | H1 | 121.2° | 120.0° |
| C7 | C11 | O12 | N13 | 179.4° | 179.7° |
| C7 | C11 | N13 | C15 | 171.3° | 179.7° |
| C11 | C7 | C2 | C3 | 177.5° | 180.0° |
| C11 | C7 | C2 | N1 | 56.8° | 60.0° |
| C11 | C7 | O9 | H2 | 5.3° | 60.0° |
| C11 | C7 | C2 | H3 | 62.5° | 60.0° |
| C7 | C11 | N13 | H10 | 8.7° | 0.3° |
| C2 | C7 | C11 | O12 | 111.7° | 115.0° |
| C2 | C7 | C11 | N13 | 68.9° | 65.3° |
| C7 | C2 | C3 | N1 | 117.7° | 120.0° |
| C7 | C2 | C3 | H3 | 120.3° | 120.1° |
| C7 | C2 | N1 | H3 | 118.2° | 120.1° |
| C2 | C7 | O9 | H2 | 121.0° | 60.0° |
| C7 | C2 | C3 | H4 | 180.0° | 60.0° |
| C7 | C2 | C3 | H5 | 60.0° | 180.0° |
| C7 | C2 | C3 | H6 | 60.0° | 60.0° |
| C7 | C2 | N1 | H7 | 180.0° | 59.9° |
| C7 | C2 | N1 | H8 | 60.0° | 176.0° |
| O12 | C11 | N13 | C15 | 8.0° | 0.0° |
| O12 | C11 | C7 | H1 | 127.0° | 125.0° |
| O12 | C11 | N13 | H10 | 172.0° | 180.0° |
| C11 | N13 | C15 | H10 | 180.0° | 180.0° |
| N13 | C11 | C7 | H1 | 52.4° | 54.7° |
| C11 | N13 | C15 | H11 | 171.1° | 60.0° |
| C11 | N13 | C15 | H12 | 68.1° | 60.0° |
| N13 | C15 | H11 | H12 | 121.2° | 120.0° |
| C3 | C2 | N1 | H3 | 121.0° | 119.9° |
| C3 | C2 | C7 | H1 | 61.4° | 60.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | N1 | H7 | 59.2° | 60.1° |
| C3 | C2 | N1 | H8 | 179.2° | 64.0° |
| N1 | C2 | C7 | H1 | 177.9° | 180.0° |
| N1 | C2 | C3 | H4 | 62.3° | 180.0° |
| N1 | C2 | C3 | H5 | 57.7° | 60.0° |
| N1 | C2 | C3 | H6 | 177.6° | 60.0° |
| C2 | N1 | H7 | H8 | 120.0° | 124.0° |
| H1 | C7 | O9 | H2 | 119.4° | 180.0° |
| H1 | C7 | C2 | H3 | 58.7° | 60.0° |
| H3 | C2 | C3 | H4 | 59.8° | 60.1° |
| H3 | C2 | C3 | H5 | 179.7° | 59.9° |
| H3 | C2 | C3 | H6 | 60.3° | 179.9° |
| H3 | C2 | N1 | H7 | 61.8° | 180.0° |
| H3 | C2 | N1 | H8 | 58.2° | 55.9° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H10 | N13 | C15 | H11 | 8.9° | 120.0° |
| H10 | N13 | C15 | H12 | 111.9° | 120.0° |
| H14 | C29 | H15 | H16 | 120.0° | 120.0° |
| H17 | C26 | C24 | H18 | 1.2° | 0.0° |
| H19 | C20 | H20 | H21 | 120.0° | 120.0° |
