2W5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.46Å | |
| O2 | C3 | sing | 1.36Å | 1.31Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
| O6 | C5 | sing | 1.36Å | 1.38Å | |
| O6 | C7 | sing | 1.43Å | 1.42Å | |
| C5 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| N10 | C9 | doub | 1.32Å | 1.32Å | Aromatic |
| N8 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C11 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C9 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C17 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C17 | C19 | sing | 1.51Å | 1.50Å | |
| N21 | C19 | sing | 1.35Å | 1.35Å | |
| N21 | C22 | sing | 1.47Å | 1.44Å | |
| C19 | O20 | doub | 1.21Å | 1.17Å | |
| CL7 | C26 | sing | 1.74Å | 1.76Å | |
| C26 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.49Å | |
| C23 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | CL9 | sing | 1.74Å | 1.73Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C4 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| N21 | H22 | sing | 0.97Å | 1.00Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 108.1° | 117.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| O2 | C3 | C4 | 124.4° | 120.4° |
| O2 | C3 | N10 | 115.5° | 120.5° |
| C3 | C4 | C5 | 116.5° | 118.3° |
| C4 | C3 | N10 | 120.1° | 119.1° |
| C3 | C4 | H20 | 121.8° | 120.9° |
| C4 | C5 | O6 | 117.9° | 120.5° |
| C4 | C5 | N8 | 119.1° | 119.1° |
| C5 | C4 | H20 | 121.7° | 120.8° |
| C3 | N10 | C9 | 122.1° | 120.9° |
| C5 | O6 | C7 | 110.6° | 117.0° |
| O6 | C5 | N8 | 122.8° | 120.5° |
| O6 | C7 | H4 | 109.5° | 109.5° |
| O6 | C7 | H5 | 109.5° | 109.4° |
| O6 | C7 | H6 | 109.5° | 109.5° |
| C5 | N8 | C9 | 121.4° | 120.8° |
| N10 | C9 | N8 | 120.7° | 121.9° |
| N10 | C9 | C11 | 109.2° | 119.1° |
| N8 | C9 | C11 | 129.3° | 119.1° |
| C11 | C13 | C14 | 112.2° | 109.5° |
| C13 | C11 | C9 | 111.5° | 109.5° |
| C13 | C11 | C17 | 112.2° | 109.5° |
| C13 | C11 | H7 | 103.0° | 109.5° |
| C11 | C13 | H8 | 108.8° | 109.4° |
| C11 | C13 | H9 | 108.8° | 109.5° |
| C13 | C14 | C15 | 114.5° | 109.5° |
| C14 | C13 | H8 | 108.8° | 109.5° |
| C14 | C13 | H9 | 108.8° | 109.5° |
| C13 | C14 | H10 | 108.2° | 109.5° |
| C13 | C14 | H11 | 108.2° | 109.5° |
| C9 | C11 | C17 | 120.6° | 109.4° |
| C9 | C11 | H7 | 103.4° | 109.5° |
| C11 | C17 | C16 | 116.6° | 109.5° |
| C11 | C17 | C19 | 118.3° | 109.5° |
| C17 | C11 | H7 | 103.8° | 109.5° |
| C11 | C17 | H21 | 104.2° | 109.5° |
| C14 | C15 | C16 | 113.2° | 109.4° |
| C15 | C14 | H10 | 108.2° | 109.5° |
| C15 | C14 | H11 | 108.2° | 109.4° |
| C14 | C15 | H12 | 108.5° | 109.4° |
| C14 | C15 | H13 | 108.5° | 109.5° |
| C15 | C16 | C17 | 110.6° | 109.5° |
| C16 | C15 | H12 | 108.5° | 109.5° |
| C16 | C15 | H13 | 108.5° | 109.5° |
| C15 | C16 | H14 | 109.2° | 109.5° |
| C15 | C16 | H15 | 109.2° | 109.5° |
| C24 | C25 | C26 | 120.8° | 120.0° |
| C25 | C24 | C23 | 118.7° | 120.0° |
| C25 | C24 | H18 | 120.7° | 120.0° |
| C24 | C25 | H23 | 119.6° | 120.0° |
| C25 | C26 | CL7 | 120.8° | 120.0° |
| C25 | C26 | C28 | 119.8° | 120.0° |
| C26 | C25 | H23 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.5° | 120.0° |
| C24 | C23 | C30 | 121.9° | 120.0° |
| C23 | C24 | H18 | 120.7° | 120.0° |
| C16 | C17 | C19 | 107.9° | 109.5° |
| C17 | C16 | H14 | 109.2° | 109.5° |
| C17 | C16 | H15 | 109.2° | 109.4° |
| C16 | C17 | H21 | 103.8° | 109.5° |
| C17 | C19 | N21 | 134.2° | 120.0° |
| C17 | C19 | O20 | 104.1° | 120.0° |
| C19 | C17 | H21 | 104.1° | 109.4° |
| C19 | N21 | C22 | 116.8° | 120.0° |
| N21 | C19 | O20 | 121.5° | 120.0° |
| C19 | N21 | H22 | 121.6° | 120.0° |
| N21 | C22 | C23 | 116.9° | 109.5° |
| N21 | C22 | H16 | 107.6° | 109.5° |
| N21 | C22 | H17 | 107.6° | 109.4° |
| C22 | N21 | H22 | 121.6° | 120.0° |
| CL7 | C26 | C28 | 119.4° | 120.0° |
| C26 | C28 | C30 | 120.8° | 119.9° |
| C26 | C28 | CL9 | 118.2° | 120.0° |
| C22 | C23 | C30 | 118.5° | 120.0° |
| C23 | C22 | H16 | 107.5° | 109.5° |
| C23 | C22 | H17 | 107.6° | 109.5° |
| C23 | C30 | C28 | 118.0° | 120.1° |
| C23 | C30 | H19 | 121.0° | 120.0° |
| C30 | C28 | CL9 | 121.0° | 120.0° |
| C28 | C30 | H19 | 121.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.4° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 2.0° | 179.7° |
| C1 | O2 | C3 | N10 | 179.1° | 0.1° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| O2 | C3 | C4 | N10 | 179.0° | 179.6° |
| O2 | C3 | C4 | C5 | 178.3° | 179.7° |
| O2 | C3 | N10 | C9 | 177.8° | 179.7° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 179.9° |
| O2 | C3 | C4 | H20 | 1.7° | 0.3° |
| C3 | C4 | C5 | H20 | 180.0° | 180.0° |
| C3 | C4 | C5 | O6 | 178.0° | 180.0° |
| C3 | C4 | C5 | N8 | 3.5° | 0.0° |
| C4 | C3 | N10 | C9 | 3.2° | 0.0° |
| C5 | C4 | C3 | N10 | 0.7° | 0.0° |
| C4 | C5 | O6 | N8 | 174.3° | 179.9° |
| C4 | C5 | O6 | C7 | 165.2° | 180.0° |
| C4 | C5 | N8 | C9 | 2.6° | 0.0° |
| C3 | N10 | C9 | N8 | 4.3° | 0.0° |
| C3 | N10 | C9 | C11 | 174.4° | 179.9° |
| N10 | C3 | C4 | H20 | 179.3° | 180.0° |
| O6 | C5 | N8 | C9 | 176.9° | 179.9° |
| C5 | O6 | C7 | H4 | 180.0° | 60.0° |
| C5 | O6 | C7 | H5 | 60.0° | 60.0° |
| C5 | O6 | C7 | H6 | 60.0° | 179.9° |
| O6 | C5 | C4 | H20 | 2.0° | 0.0° |
| C7 | O6 | C5 | N8 | 20.5° | 0.1° |
| O6 | C7 | H4 | H5 | 120.0° | 119.9° |
| O6 | C7 | H4 | H6 | 120.0° | 120.0° |
| O6 | C7 | H5 | H6 | 120.0° | 119.9° |
| C5 | N8 | C9 | N10 | 1.3° | 0.0° |
| C5 | N8 | C9 | C11 | 169.2° | 179.9° |
| N8 | C5 | C4 | H20 | 176.5° | 180.0° |
| N10 | C9 | N8 | C11 | 167.9° | 179.9° |
| N10 | C9 | C11 | C13 | 139.0° | 60.0° |
| N10 | C9 | C11 | C17 | 86.2° | 60.0° |
| N10 | C9 | C11 | H7 | 28.9° | 180.0° |
| N8 | C9 | C11 | C13 | 30.0° | 120.0° |
| N8 | C9 | C11 | C17 | 104.8° | 120.0° |
| N8 | C9 | C11 | H7 | 140.1° | 0.1° |
| C11 | C13 | C14 | H8 | 120.4° | 120.0° |
| C11 | C13 | C14 | H9 | 120.4° | 120.0° |
| C13 | C11 | C9 | C17 | 134.8° | 120.0° |
| C13 | C11 | C9 | H7 | 110.1° | 120.0° |
| C13 | C11 | C17 | H7 | 110.5° | 120.0° |
| C11 | C13 | C14 | C15 | 18.3° | 60.0° |
| C13 | C11 | C17 | C16 | 57.2° | 60.0° |
| C13 | C11 | C17 | C19 | 171.5° | 180.0° |
| C11 | C13 | H8 | H9 | 118.8° | 120.0° |
| C11 | C13 | C14 | H10 | 102.4° | 180.0° |
| C11 | C13 | C14 | H11 | 139.1° | 60.0° |
| C13 | C11 | C17 | H21 | 56.4° | 60.0° |
| C14 | C13 | C11 | C9 | 174.7° | 180.0° |
| C14 | C13 | C11 | C17 | 36.0° | 60.0° |
| C13 | C14 | C15 | H10 | 120.7° | 120.0° |
| C13 | C14 | C15 | H11 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 57.2° | 60.0° |
| C14 | C13 | C11 | H7 | 75.0° | 60.0° |
| C14 | C13 | H8 | H9 | 118.8° | 120.0° |
| C13 | C14 | H10 | H11 | 117.7° | 120.0° |
| C13 | C14 | C15 | H12 | 177.7° | 60.0° |
| C13 | C14 | C15 | H13 | 63.4° | 180.0° |
| C9 | C11 | C17 | H7 | 115.0° | 120.0° |
| C9 | C11 | C17 | C16 | 168.3° | 180.0° |
| C9 | C11 | C17 | C19 | 36.9° | 60.0° |
| C9 | C11 | C13 | H8 | 54.3° | 60.0° |
| C9 | C11 | C13 | H9 | 64.9° | 60.0° |
| C9 | C11 | C17 | H21 | 78.1° | 60.0° |
| C11 | C17 | C16 | C15 | 18.8° | 60.0° |
| C11 | C17 | C16 | C19 | 136.0° | 120.0° |
| C11 | C17 | C16 | H21 | 113.9° | 120.0° |
| C11 | C17 | C19 | H21 | 115.0° | 120.0° |
| C11 | C17 | C19 | N21 | 74.0° | 180.0° |
| C11 | C17 | C19 | O20 | 111.2° | 0.0° |
| C17 | C11 | C13 | H8 | 84.4° | 60.0° |
| C17 | C11 | C13 | H9 | 156.4° | 180.0° |
| C11 | C17 | C16 | H14 | 138.9° | 180.0° |
| C11 | C17 | C16 | H15 | 101.4° | 60.0° |
| C14 | C15 | C16 | H12 | 120.5° | 119.9° |
| C14 | C15 | C16 | H13 | 120.5° | 120.0° |
| C14 | C15 | C16 | C17 | 36.8° | 60.0° |
| C15 | C14 | C13 | H8 | 138.7° | 60.0° |
| C15 | C14 | C13 | H9 | 102.1° | 180.0° |
| C15 | C14 | H10 | H11 | 117.7° | 119.9° |
| C14 | C15 | H12 | H13 | 118.3° | 120.0° |
| C14 | C15 | C16 | H14 | 83.3° | 180.0° |
| C14 | C15 | C16 | H15 | 157.0° | 60.0° |
| C15 | C16 | C17 | H14 | 120.2° | 120.0° |
| C15 | C16 | C17 | H15 | 120.2° | 120.0° |
| C15 | C16 | C17 | C19 | 154.8° | 180.0° |
| C16 | C15 | C14 | H10 | 63.6° | 180.0° |
| C16 | C15 | C14 | H11 | 177.9° | 60.1° |
| C16 | C15 | H12 | H13 | 118.3° | 120.0° |
| C15 | C16 | H14 | H15 | 119.5° | 120.0° |
| C15 | C16 | C17 | H21 | 95.1° | 60.0° |
| C24 | C25 | C26 | H23 | 180.0° | 179.9° |
| C25 | C24 | C23 | H18 | 180.0° | 179.7° |
| C24 | C25 | C26 | CL7 | 179.6° | 180.0° |
| C24 | C25 | C26 | C28 | 2.6° | 0.1° |
| C25 | C24 | C23 | C22 | 178.1° | 179.7° |
| C25 | C24 | C23 | C30 | 0.7° | 0.3° |
| C26 | C25 | C24 | C23 | 2.3° | 0.0° |
| C25 | C26 | CL7 | C28 | 177.8° | 179.9° |
| C25 | C26 | C28 | C30 | 1.4° | 0.1° |
| C25 | C26 | C28 | CL9 | 177.4° | 179.9° |
| C26 | C25 | C24 | H18 | 177.7° | 179.7° |
| C24 | C23 | C22 | N21 | 42.6° | 90.0° |
| C24 | C23 | C22 | C30 | 177.5° | 180.0° |
| C24 | C23 | C30 | C28 | 0.5° | 0.5° |
| C24 | C23 | C22 | H16 | 163.7° | 30.0° |
| C24 | C23 | C22 | H17 | 78.5° | 150.0° |
| C24 | C23 | C30 | H19 | 179.5° | 180.0° |
| C23 | C24 | C25 | H23 | 177.7° | 180.0° |
| C16 | C17 | C19 | H21 | 109.8° | 120.0° |
| C16 | C17 | C19 | N21 | 61.1° | 60.0° |
| C16 | C17 | C19 | O20 | 113.6° | 120.0° |
| C16 | C17 | C11 | H7 | 53.3° | 60.0° |
| C17 | C16 | C15 | H12 | 157.4° | 60.0° |
| C17 | C16 | C15 | H13 | 83.7° | 180.0° |
| C17 | C16 | H14 | H15 | 119.5° | 120.0° |
| C17 | C19 | N21 | O20 | 174.0° | 180.0° |
| C17 | C19 | N21 | C22 | 173.9° | 180.0° |
| C19 | C17 | C11 | H7 | 78.0° | 60.0° |
| C19 | C17 | C16 | H14 | 85.0° | 60.0° |
| C19 | C17 | C16 | H15 | 34.6° | 60.0° |
| C17 | C19 | N21 | H22 | 6.1° | 0.0° |
| C19 | N21 | C22 | H22 | 180.0° | 180.0° |
| C19 | N21 | C22 | C23 | 75.9° | 180.0° |
| C19 | N21 | C22 | H16 | 45.1° | 59.9° |
| C19 | N21 | C22 | H17 | 163.0° | 60.0° |
| N21 | C19 | C17 | H21 | 170.9° | 60.0° |
| C22 | N21 | C19 | O20 | 0.1° | 0.0° |
| N21 | C22 | C23 | H16 | 121.1° | 120.0° |
| N21 | C22 | C23 | H17 | 121.1° | 120.0° |
| N21 | C22 | C23 | C30 | 139.9° | 90.0° |
| N21 | C22 | H16 | H17 | 116.6° | 119.9° |
| O20 | C19 | C17 | H21 | 3.8° | 120.0° |
| O20 | C19 | N21 | H22 | 179.9° | 180.0° |
| CL7 | C26 | C28 | C30 | 179.2° | 179.8° |
| CL7 | C26 | C28 | CL9 | 0.4° | 0.0° |
| CL7 | C26 | C25 | H23 | 0.4° | 0.1° |
| C26 | C28 | C30 | C23 | 0.1° | 0.4° |
| C26 | C28 | C30 | CL9 | 178.7° | 179.8° |
| C26 | C28 | C30 | H19 | 179.8° | 180.0° |
| C28 | C26 | C25 | H23 | 177.4° | 180.0° |
| C22 | C23 | C30 | C28 | 176.9° | 179.5° |
| C23 | C22 | H16 | H17 | 116.6° | 120.0° |
| C22 | C23 | C24 | H18 | 1.9° | 0.0° |
| C22 | C23 | C30 | H19 | 3.1° | 0.1° |
| C23 | C22 | N21 | H22 | 104.1° | 0.0° |
| C23 | C30 | C28 | H19 | 180.0° | 179.6° |
| C23 | C30 | C28 | CL9 | 178.9° | 179.8° |
| C30 | C23 | C22 | H16 | 18.8° | 150.0° |
| C30 | C23 | C22 | H17 | 99.0° | 30.0° |
| C30 | C23 | C24 | H18 | 179.3° | 180.0° |
| CL9 | C28 | C30 | H19 | 1.1° | 0.2° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C7 | H5 | H6 | 120.0° | 120.1° |
| H7 | C11 | C13 | H8 | 164.6° | 180.0° |
| H7 | C11 | C13 | H9 | 45.4° | 60.0° |
| H7 | C11 | C17 | H21 | 167.0° | 179.9° |
| H8 | C13 | C14 | H10 | 18.0° | 60.0° |
| H8 | C13 | C14 | H11 | 100.5° | 180.0° |
| H9 | C13 | C14 | H10 | 137.2° | 60.0° |
| H9 | C13 | C14 | H11 | 18.6° | 60.0° |
| H10 | C14 | C15 | H12 | 57.0° | 60.0° |
| H10 | C14 | C15 | H13 | 175.9° | 60.0° |
| H11 | C14 | C15 | H12 | 61.6° | 180.0° |
| H11 | C14 | C15 | H13 | 57.4° | 60.0° |
| H12 | C15 | C16 | H14 | 37.2° | 60.0° |
| H12 | C15 | C16 | H15 | 82.5° | 179.9° |
| H13 | C15 | C16 | H14 | 156.1° | 60.0° |
| H13 | C15 | C16 | H15 | 36.5° | 60.0° |
| H14 | C16 | C17 | H21 | 25.1° | 60.0° |
| H15 | C16 | C17 | H21 | 144.7° | 180.0° |
| H16 | C22 | N21 | H22 | 134.8° | 120.0° |
| H17 | C22 | N21 | H22 | 17.0° | 120.0° |
| H18 | C24 | C25 | H23 | 2.3° | 0.2° |
