6GW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C2 | sing | 1.36Å | 1.35Å | |
| O23 | C21 | doub | 1.22Å | 1.21Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C7 | sing | 1.47Å | 1.48Å | |
| C21 | N22 | sing | 1.35Å | 1.37Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | N22 | sing | 1.46Å | 1.48Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| N22 | C27 | sing | 1.47Å | 1.47Å | |
| C26 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | O11 | sing | 1.36Å | 1.35Å | |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C31 | doub | 1.33Å | 1.34Å | Aromatic |
| C25 | S28 | sing | 1.76Å | 1.76Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.49Å | |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | N10 | sing | 1.40Å | 1.42Å | |
| C17 | C20 | sing | 1.51Å | 1.50Å | |
| S28 | C29 | sing | 1.76Å | 1.76Å | Aromatic |
| C30 | C29 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N10 | sing | 1.38Å | 1.39Å | |
| C8 | N9 | doub | 1.30Å | 1.31Å | |
| N10 | C14 | sing | 1.35Å | 1.35Å | |
| N9 | N13 | sing | 1.40Å | 1.39Å | |
| C14 | O15 | doub | 1.22Å | 1.22Å | |
| C14 | N13 | sing | 1.35Å | 1.35Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| O11 | H15 | sing | 0.97Å | 0.95Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å | |
| N13 | H17 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C2 | C3 | 120.2° | 120.0° |
| O12 | C2 | C7 | 119.6° | 119.9° |
| C2 | O12 | H16 | 109.5° | 114.0° |
| O23 | C21 | C7 | 119.4° | 120.0° |
| O23 | C21 | N22 | 121.1° | 120.0° |
| C3 | C2 | C7 | 120.2° | 120.1° |
| C2 | C3 | C4 | 119.3° | 120.2° |
| C2 | C3 | H2 | 120.4° | 119.9° |
| C2 | C7 | C21 | 125.1° | 120.1° |
| C2 | C7 | C6 | 119.5° | 119.9° |
| C7 | C21 | N22 | 119.0° | 120.0° |
| C21 | C7 | C6 | 114.8° | 120.0° |
| C21 | N22 | C24 | 121.6° | 120.0° |
| C21 | N22 | C27 | 121.1° | 120.0° |
| C3 | C4 | O11 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C4 | C3 | H2 | 120.4° | 119.9° |
| N22 | C24 | C25 | 112.3° | 109.5° |
| C24 | N22 | C27 | 117.3° | 120.0° |
| N22 | C24 | H7 | 108.8° | 109.5° |
| N22 | C24 | H8 | 108.7° | 109.5° |
| C24 | C25 | C31 | 125.9° | 125.2° |
| C24 | C25 | S28 | 124.2° | 125.2° |
| C25 | C24 | H7 | 108.7° | 109.5° |
| C25 | C24 | H8 | 108.8° | 109.4° |
| C7 | C6 | C5 | 120.9° | 119.8° |
| C7 | C6 | H14 | 119.6° | 120.1° |
| N22 | C27 | H9 | 109.5° | 109.5° |
| N22 | C27 | H10 | 109.4° | 109.5° |
| N22 | C27 | H11 | 109.5° | 109.4° |
| C19 | C26 | C1 | 120.0° | 120.0° |
| C26 | C19 | C18 | 120.2° | 120.2° |
| C26 | C19 | H3 | 119.9° | 119.9° |
| C19 | C26 | H19 | 120.0° | 120.0° |
| C26 | C1 | C16 | 120.7° | 120.0° |
| C26 | C1 | H1 | 119.7° | 120.0° |
| C1 | C26 | H19 | 120.0° | 120.0° |
| C19 | C18 | C17 | 119.9° | 120.1° |
| C18 | C19 | H3 | 119.9° | 119.9° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| O11 | C4 | C5 | 119.0° | 120.0° |
| C4 | O11 | H15 | 109.5° | 114.0° |
| C4 | C5 | C6 | 119.2° | 120.0° |
| C4 | C5 | C8 | 122.0° | 120.0° |
| C1 | C16 | C17 | 118.9° | 119.8° |
| C1 | C16 | N10 | 118.0° | 120.1° |
| C16 | C1 | H1 | 119.6° | 120.0° |
| C18 | C17 | C16 | 120.3° | 119.9° |
| C18 | C17 | C20 | 117.9° | 120.1° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C31 | C25 | S28 | 109.9° | 109.6° |
| C25 | C31 | C30 | 114.5° | 114.9° |
| C25 | C31 | H13 | 122.7° | 122.6° |
| C25 | S28 | C29 | 91.2° | 91.0° |
| C6 | C5 | C8 | 118.6° | 120.0° |
| C5 | C6 | H14 | 119.5° | 120.1° |
| C31 | C30 | C29 | 115.2° | 115.0° |
| C31 | C30 | H12 | 122.4° | 122.5° |
| C30 | C31 | H13 | 122.8° | 122.6° |
| C5 | C8 | N10 | 124.2° | 125.7° |
| C5 | C8 | N9 | 126.9° | 125.7° |
| C17 | C16 | N10 | 123.1° | 120.0° |
| C16 | C17 | C20 | 121.8° | 120.0° |
| C16 | N10 | C8 | 127.2° | 125.9° |
| C16 | N10 | C14 | 125.4° | 125.9° |
| C17 | C20 | H4 | 109.5° | 109.5° |
| C17 | C20 | H5 | 109.5° | 109.5° |
| C17 | C20 | H6 | 109.5° | 109.5° |
| S28 | C29 | C30 | 109.1° | 109.6° |
| S28 | C29 | H20 | 125.4° | 125.1° |
| C29 | C30 | H12 | 122.4° | 122.5° |
| C30 | C29 | H20 | 125.4° | 125.3° |
| N10 | C8 | N9 | 108.8° | 108.5° |
| C8 | N10 | C14 | 107.4° | 108.2° |
| C8 | N9 | N13 | 107.5° | 108.0° |
| N10 | C14 | O15 | 125.5° | 126.2° |
| N10 | C14 | N13 | 108.0° | 107.7° |
| N9 | N13 | C14 | 108.2° | 107.5° |
| N9 | N13 | H17 | 125.9° | 126.2° |
| O15 | C14 | N13 | 126.5° | 126.2° |
| C14 | N13 | H17 | 125.9° | 126.3° |
| H4 | C20 | H5 | 109.5° | 109.4° |
| H4 | C20 | H6 | 109.5° | 109.4° |
| H5 | C20 | H6 | 109.4° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H9 | C27 | H11 | 109.4° | 109.5° |
| H10 | C27 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C2 | C3 | C7 | 177.0° | 179.8° |
| O12 | C2 | C7 | C21 | 9.0° | 0.3° |
| O12 | C2 | C3 | C4 | 178.2° | 179.7° |
| O12 | C2 | C7 | C6 | 179.8° | 179.7° |
| O12 | C2 | C3 | H2 | 1.8° | 0.2° |
| O23 | C21 | C7 | C2 | 108.4° | 51.7° |
| O23 | C21 | C7 | N22 | 172.6° | 179.9° |
| O23 | C21 | N22 | C24 | 0.3° | 5.8° |
| O23 | C21 | C7 | C6 | 80.0° | 128.3° |
| O23 | C21 | N22 | C27 | 179.0° | 174.2° |
| C3 | C2 | C7 | C21 | 173.9° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 2.7° | 0.0° |
| C2 | C3 | C4 | O11 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | O12 | H16 | 180.0° | 90.0° |
| C2 | C7 | C21 | C6 | 171.6° | 180.0° |
| C2 | C7 | C21 | N22 | 79.0° | 128.3° |
| C7 | C2 | C3 | C4 | 1.1° | 0.0° |
| C2 | C7 | C6 | C5 | 2.7° | 0.0° |
| C7 | C2 | C3 | H2 | 178.8° | 180.0° |
| C2 | C7 | C6 | H14 | 177.3° | 180.0° |
| C7 | C2 | O12 | H16 | 2.9° | 90.3° |
| C7 | C21 | N22 | C24 | 172.1° | 174.3° |
| C7 | C21 | N22 | C27 | 6.5° | 5.7° |
| C21 | C7 | C6 | C5 | 174.8° | 180.0° |
| C21 | C7 | C6 | H14 | 5.2° | 0.0° |
| C21 | N22 | C24 | C27 | 178.7° | 180.0° |
| C21 | N22 | C24 | C25 | 113.3° | 90.0° |
| N22 | C21 | C7 | C6 | 92.5° | 51.7° |
| C21 | N22 | C24 | H7 | 7.2° | 150.0° |
| C21 | N22 | C24 | H8 | 126.3° | 29.9° |
| C21 | N22 | C27 | H9 | 180.0° | 92.3° |
| C21 | N22 | C27 | H10 | 60.0° | 147.7° |
| C21 | N22 | C27 | H11 | 60.0° | 27.8° |
| C3 | C4 | O11 | C5 | 178.1° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | C8 | 175.4° | 180.0° |
| C3 | C4 | O11 | H15 | 180.0° | 90.0° |
| N22 | C24 | C25 | H7 | 120.4° | 120.1° |
| N22 | C24 | C25 | H8 | 120.4° | 119.9° |
| N22 | C24 | C25 | C31 | 119.0° | 90.0° |
| N22 | C24 | C25 | S28 | 60.3° | 90.0° |
| N22 | C24 | H7 | H8 | 118.7° | 120.0° |
| C24 | N22 | C27 | H9 | 1.3° | 87.7° |
| C24 | N22 | C27 | H10 | 121.3° | 32.3° |
| C24 | N22 | C27 | H11 | 118.7° | 152.2° |
| C25 | C24 | N22 | C27 | 65.4° | 90.0° |
| C24 | C25 | C31 | S28 | 179.4° | 180.0° |
| C24 | C25 | C31 | C30 | 179.2° | 180.0° |
| C24 | C25 | S28 | C29 | 179.7° | 180.0° |
| C25 | C24 | H7 | H8 | 118.7° | 119.9° |
| C24 | C25 | C31 | H13 | 0.8° | 0.0° |
| C7 | C6 | C5 | C4 | 1.1° | 0.0° |
| C7 | C6 | C5 | H14 | 180.0° | 180.0° |
| C7 | C6 | C5 | C8 | 174.0° | 180.0° |
| C27 | N22 | C24 | H7 | 174.1° | 30.0° |
| C27 | N22 | C24 | H8 | 55.0° | 150.1° |
| N22 | C27 | H9 | H10 | 120.0° | 120.1° |
| N22 | C27 | H9 | H11 | 120.0° | 120.0° |
| N22 | C27 | H10 | H11 | 120.0° | 120.0° |
| C19 | C26 | C1 | H19 | 180.0° | 179.4° |
| C26 | C19 | C18 | H3 | 180.0° | 179.7° |
| C19 | C26 | C1 | C16 | 0.6° | 0.6° |
| C26 | C19 | C18 | C17 | 0.9° | 0.3° |
| C19 | C26 | C1 | H1 | 179.4° | 179.7° |
| C26 | C19 | C18 | H18 | 179.1° | 179.9° |
| C1 | C26 | C19 | C18 | 0.7° | 0.6° |
| C26 | C1 | C16 | H1 | 180.0° | 179.7° |
| C26 | C1 | C16 | C17 | 0.6° | 0.3° |
| C26 | C1 | C16 | N10 | 178.4° | 179.7° |
| C1 | C26 | C19 | H3 | 179.3° | 179.7° |
| C19 | C18 | C17 | H18 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.9° | 0.0° |
| C19 | C18 | C17 | C20 | 179.4° | 180.0° |
| C18 | C19 | C26 | H19 | 179.3° | 180.0° |
| O11 | C4 | C5 | C6 | 178.6° | 180.0° |
| O11 | C4 | C5 | C8 | 6.5° | 0.1° |
| O11 | C4 | C3 | H2 | 1.4° | 0.1° |
| C4 | C5 | C6 | C8 | 175.1° | 180.0° |
| C4 | C5 | C8 | N10 | 124.4° | 173.1° |
| C4 | C5 | C8 | N9 | 55.0° | 6.6° |
| C5 | C4 | C3 | H2 | 179.5° | 180.0° |
| C4 | C5 | C6 | H14 | 178.9° | 180.0° |
| C5 | C4 | O11 | H15 | 1.8° | 90.1° |
| C1 | C16 | C17 | C18 | 0.8° | 0.0° |
| C1 | C16 | C17 | N10 | 179.0° | 180.0° |
| C1 | C16 | C17 | C20 | 179.5° | 180.0° |
| C1 | C16 | N10 | C8 | 75.6° | 94.0° |
| C1 | C16 | N10 | C14 | 101.3° | 85.9° |
| C16 | C1 | C26 | H19 | 179.4° | 180.0° |
| C18 | C17 | C16 | C20 | 179.7° | 180.0° |
| C18 | C17 | C16 | N10 | 178.2° | 180.0° |
| C17 | C18 | C19 | H3 | 179.1° | 180.0° |
| C18 | C17 | C20 | H4 | 89.9° | 90.0° |
| C18 | C17 | C20 | H5 | 150.1° | 30.0° |
| C18 | C17 | C20 | H6 | 30.2° | 150.0° |
| C25 | C31 | C30 | H13 | 180.0° | 180.0° |
| C31 | C25 | S28 | C29 | 0.3° | 0.0° |
| C25 | C31 | C30 | C29 | 0.7° | 0.0° |
| C31 | C25 | C24 | H7 | 120.6° | 30.0° |
| C31 | C25 | C24 | H8 | 1.4° | 150.0° |
| C25 | C31 | C30 | H12 | 179.3° | 179.7° |
| S28 | C25 | C31 | C30 | 0.2° | 0.0° |
| C25 | S28 | C29 | C30 | 0.6° | 0.0° |
| S28 | C25 | C24 | H7 | 60.2° | 149.9° |
| S28 | C25 | C24 | H8 | 179.3° | 29.9° |
| S28 | C25 | C31 | H13 | 179.8° | 180.0° |
| C25 | S28 | C29 | H20 | 179.4° | 179.8° |
| C6 | C5 | C8 | N10 | 50.6° | 6.9° |
| C6 | C5 | C8 | N9 | 130.0° | 173.5° |
| C31 | C30 | C29 | S28 | 0.9° | 0.0° |
| C31 | C30 | C29 | H12 | 180.0° | 179.7° |
| C31 | C30 | C29 | H20 | 179.1° | 179.8° |
| C5 | C8 | N10 | C16 | 3.0° | 0.3° |
| C5 | C8 | N10 | N9 | 179.5° | 179.7° |
| C5 | C8 | N10 | C14 | 179.6° | 179.8° |
| C5 | C8 | N9 | N13 | 179.3° | 179.7° |
| C8 | C5 | C6 | H14 | 6.0° | 0.0° |
| C17 | C16 | N10 | C8 | 103.3° | 85.9° |
| C17 | C16 | N10 | C14 | 79.7° | 94.1° |
| C17 | C16 | C1 | H1 | 179.3° | 180.0° |
| C16 | C17 | C20 | H4 | 89.8° | 90.0° |
| C16 | C17 | C20 | H5 | 30.2° | 150.0° |
| C16 | C17 | C20 | H6 | 150.1° | 30.0° |
| C16 | C17 | C18 | H18 | 179.1° | 179.8° |
| N10 | C16 | C17 | C20 | 1.5° | 0.0° |
| C16 | N10 | C8 | C14 | 177.4° | 179.9° |
| C16 | N10 | C8 | N9 | 176.4° | 180.0° |
| C16 | N10 | C14 | O15 | 3.1° | 0.1° |
| C16 | N10 | C14 | N13 | 177.2° | 180.0° |
| N10 | C16 | C1 | H1 | 1.6° | 0.0° |
| C17 | C20 | H4 | H5 | 120.0° | 120.0° |
| C17 | C20 | H4 | H6 | 120.0° | 120.0° |
| C17 | C20 | H5 | H6 | 120.0° | 120.1° |
| C20 | C17 | C18 | H18 | 0.6° | 0.2° |
| S28 | C29 | C30 | H20 | 180.0° | 179.8° |
| S28 | C29 | C30 | H12 | 179.1° | 179.7° |
| C29 | C30 | C31 | H13 | 179.3° | 180.0° |
| N10 | C8 | N9 | N13 | 1.2° | 0.0° |
| C8 | N10 | C14 | O15 | 179.5° | 180.0° |
| C8 | N10 | C14 | N13 | 0.3° | 0.1° |
| N9 | C8 | N10 | C14 | 0.9° | 0.0° |
| C8 | N9 | N13 | C14 | 1.0° | 0.0° |
| C8 | N9 | N13 | H17 | 179.0° | 180.0° |
| N10 | C14 | N13 | N9 | 0.4° | 0.1° |
| N10 | C14 | O15 | N13 | 179.7° | 179.9° |
| N10 | C14 | N13 | H17 | 179.6° | 180.0° |
| N9 | N13 | C14 | O15 | 179.8° | 180.0° |
| N9 | N13 | C14 | H17 | 180.0° | 180.0° |
| O15 | C14 | N13 | H17 | 0.2° | 0.1° |
| H1 | C1 | C26 | H19 | 0.6° | 0.3° |
| H3 | C19 | C18 | H18 | 0.9° | 0.2° |
| H3 | C19 | C26 | H19 | 0.7° | 0.3° |
| H4 | C20 | H5 | H6 | 120.0° | 119.9° |
| H9 | C27 | H10 | H11 | 120.0° | 120.0° |
| H12 | C30 | C31 | H13 | 0.7° | 0.3° |
| H12 | C30 | C29 | H20 | 0.8° | 0.0° |
