6FJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C14 | sing | 1.35Å | 1.35Å | |
| N13 | N9 | sing | 1.40Å | 1.41Å | |
| O15 | C14 | doub | 1.22Å | 1.23Å | |
| C14 | N10 | sing | 1.35Å | 1.35Å | |
| N9 | C8 | doub | 1.30Å | 1.33Å | |
| N10 | C8 | sing | 1.38Å | 1.39Å | |
| N10 | C16 | sing | 1.40Å | 1.42Å | |
| C8 | C5 | sing | 1.48Å | 1.48Å | |
| C28 | C29 | doub | 1.35Å | 1.36Å | Aromatic |
| C28 | O27 | sing | 1.34Å | 1.34Å | Aromatic |
| F31 | C17 | sing | 1.35Å | 1.35Å | |
| C29 | C30 | sing | 1.41Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| O27 | C24 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| O11 | C4 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C24 | doub | 1.34Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | N21 | sing | 1.46Å | 1.46Å | |
| C7 | C20 | sing | 1.47Å | 1.49Å | |
| C7 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| N21 | C23 | sing | 1.47Å | 1.47Å | |
| N21 | C20 | sing | 1.35Å | 1.37Å | |
| C25 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | O22 | doub | 1.22Å | 1.22Å | |
| C2 | O12 | sing | 1.36Å | 1.35Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| O11 | H6 | sing | 0.97Å | 0.95Å | |
| O12 | H7 | sing | 0.97Å | 0.95Å | |
| N13 | H8 | sing | 0.97Å | 1.00Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N13 | N9 | 108.1° | 107.5° |
| N13 | C14 | O15 | 127.1° | 126.2° |
| N13 | C14 | N10 | 108.5° | 107.7° |
| C14 | N13 | H8 | 125.9° | 126.3° |
| N13 | N9 | C8 | 106.5° | 108.1° |
| N9 | N13 | H8 | 126.0° | 126.2° |
| O15 | C14 | N10 | 124.4° | 126.2° |
| C14 | N10 | C8 | 107.2° | 108.3° |
| C14 | N10 | C16 | 126.4° | 125.9° |
| N9 | C8 | N10 | 109.7° | 108.5° |
| N9 | C8 | C5 | 127.5° | 125.7° |
| C8 | N10 | C16 | 126.1° | 125.9° |
| N10 | C8 | C5 | 122.8° | 125.8° |
| N10 | C16 | C17 | 121.7° | 120.1° |
| N10 | C16 | C1 | 120.3° | 120.1° |
| C8 | C5 | C6 | 119.1° | 120.0° |
| C8 | C5 | C4 | 121.2° | 120.0° |
| C29 | C28 | O27 | 108.3° | 108.4° |
| C28 | C29 | C30 | 107.5° | 106.8° |
| C29 | C28 | H16 | 125.9° | 125.8° |
| C28 | C29 | H17 | 126.2° | 126.6° |
| C28 | O27 | C24 | 109.3° | 109.5° |
| O27 | C28 | H16 | 125.9° | 125.8° |
| F31 | C17 | C16 | 118.4° | 120.1° |
| F31 | C17 | C18 | 120.4° | 120.1° |
| C29 | C30 | C24 | 105.8° | 106.9° |
| C29 | C30 | H4 | 127.1° | 126.6° |
| C30 | C29 | H17 | 126.2° | 126.6° |
| C17 | C16 | C1 | 118.0° | 119.9° |
| C16 | C17 | C18 | 121.2° | 119.9° |
| C16 | C1 | C25 | 120.4° | 119.9° |
| C16 | C1 | H1 | 119.8° | 120.0° |
| O27 | C24 | C30 | 109.0° | 108.4° |
| O27 | C24 | C23 | 125.5° | 125.8° |
| C6 | C5 | C4 | 119.7° | 119.9° |
| C5 | C6 | C7 | 120.6° | 119.8° |
| C5 | C6 | H5 | 119.7° | 120.1° |
| C5 | C4 | O11 | 119.0° | 119.9° |
| C5 | C4 | C3 | 120.5° | 120.1° |
| O11 | C4 | C3 | 120.2° | 120.0° |
| C4 | O11 | H6 | 109.5° | 114.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H9 | 120.0° | 120.0° |
| C30 | C24 | C23 | 125.5° | 125.8° |
| C24 | C30 | H4 | 127.1° | 126.6° |
| C6 | C7 | C20 | 115.6° | 120.1° |
| C6 | C7 | C2 | 119.3° | 119.9° |
| C7 | C6 | H5 | 119.7° | 120.1° |
| C4 | C3 | C2 | 119.0° | 120.2° |
| C4 | C3 | H2 | 120.5° | 119.9° |
| C1 | C25 | C19 | 121.4° | 120.1° |
| C25 | C1 | H1 | 119.8° | 120.0° |
| C1 | C25 | H12 | 119.3° | 119.9° |
| C24 | C23 | N21 | 108.6° | 109.5° |
| C24 | C23 | H10 | 109.7° | 109.5° |
| C24 | C23 | H11 | 109.7° | 109.5° |
| C18 | C19 | C25 | 119.0° | 120.2° |
| C18 | C19 | H3 | 120.5° | 119.9° |
| C19 | C18 | H9 | 120.0° | 120.0° |
| C26 | N21 | C23 | 115.2° | 120.0° |
| C26 | N21 | C20 | 123.1° | 120.1° |
| N21 | C26 | H13 | 109.5° | 109.5° |
| N21 | C26 | H14 | 109.5° | 109.5° |
| N21 | C26 | H15 | 109.5° | 109.5° |
| C20 | C7 | C2 | 124.5° | 120.0° |
| C7 | C20 | N21 | 121.3° | 120.0° |
| C7 | C20 | O22 | 117.8° | 120.0° |
| C7 | C2 | C3 | 120.4° | 120.0° |
| C7 | C2 | O12 | 118.2° | 120.0° |
| C3 | C2 | O12 | 121.3° | 120.0° |
| C2 | C3 | H2 | 120.5° | 119.9° |
| C23 | N21 | C20 | 121.6° | 120.0° |
| N21 | C23 | H10 | 109.7° | 109.4° |
| N21 | C23 | H11 | 109.7° | 109.5° |
| N21 | C20 | O22 | 120.6° | 120.0° |
| C25 | C19 | H3 | 120.5° | 120.0° |
| C19 | C25 | H12 | 119.3° | 119.9° |
| C2 | O12 | H7 | 109.5° | 114.1° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.4° |
| H13 | C26 | H15 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N13 | N9 | H8 | 180.0° | 180.0° |
| N13 | C14 | O15 | N10 | 177.4° | 179.8° |
| C14 | N13 | N9 | C8 | 0.0° | 0.2° |
| N13 | C14 | N10 | C8 | 0.1° | 0.2° |
| N13 | C14 | N10 | C16 | 174.4° | 180.0° |
| N9 | N13 | C14 | O15 | 177.7° | 179.8° |
| N9 | N13 | C14 | N10 | 0.1° | 0.0° |
| N13 | N9 | C8 | N10 | 0.0° | 0.3° |
| N13 | N9 | C8 | C5 | 179.6° | 180.0° |
| O15 | C14 | N10 | C8 | 177.7° | 180.0° |
| O15 | C14 | N10 | C16 | 3.5° | 0.1° |
| O15 | C14 | N13 | H8 | 2.3° | 0.1° |
| C14 | N10 | C8 | N9 | 0.0° | 0.3° |
| C14 | N10 | C8 | C16 | 174.3° | 179.9° |
| C14 | N10 | C8 | C5 | 179.6° | 180.0° |
| C14 | N10 | C16 | C17 | 91.6° | 89.5° |
| C14 | N10 | C16 | C1 | 89.3° | 90.6° |
| N10 | C14 | N13 | H8 | 179.9° | 180.0° |
| N9 | C8 | N10 | C5 | 179.7° | 179.8° |
| N9 | C8 | N10 | C16 | 174.4° | 179.9° |
| N9 | C8 | C5 | C6 | 125.3° | 176.0° |
| N9 | C8 | C5 | C4 | 54.0° | 3.8° |
| C8 | N9 | N13 | H8 | 180.0° | 179.9° |
| C8 | N10 | C16 | C17 | 95.2° | 90.4° |
| C8 | N10 | C16 | C1 | 83.9° | 89.6° |
| N10 | C8 | C5 | C6 | 55.1° | 3.7° |
| N10 | C8 | C5 | C4 | 125.6° | 176.5° |
| C16 | N10 | C8 | C5 | 5.3° | 0.1° |
| N10 | C16 | C17 | F31 | 1.5° | 0.0° |
| N10 | C16 | C17 | C1 | 179.2° | 180.0° |
| N10 | C16 | C17 | C18 | 179.5° | 180.0° |
| N10 | C16 | C1 | C25 | 178.9° | 180.0° |
| N10 | C16 | C1 | H1 | 1.1° | 0.2° |
| C8 | C5 | C6 | C4 | 179.2° | 179.7° |
| C8 | C5 | C4 | O11 | 0.3° | 0.0° |
| C8 | C5 | C6 | C7 | 175.2° | 180.0° |
| C8 | C5 | C4 | C3 | 174.2° | 180.0° |
| C8 | C5 | C6 | H5 | 4.8° | 0.0° |
| C29 | C28 | O27 | H16 | 180.0° | 180.0° |
| C28 | C29 | C30 | H17 | 180.0° | 180.0° |
| C29 | C28 | O27 | C24 | 1.2° | 0.1° |
| C28 | C29 | C30 | C24 | 0.8° | 0.2° |
| C28 | C29 | C30 | H4 | 179.3° | 179.8° |
| O27 | C28 | C29 | C30 | 1.2° | 0.0° |
| C28 | O27 | C24 | C30 | 0.7° | 0.3° |
| C28 | O27 | C24 | C23 | 179.6° | 180.0° |
| O27 | C28 | C29 | H17 | 178.8° | 180.0° |
| F31 | C17 | C16 | C18 | 179.1° | 179.9° |
| F31 | C17 | C16 | C1 | 179.4° | 180.0° |
| F31 | C17 | C18 | C19 | 179.1° | 180.0° |
| F31 | C17 | C18 | H9 | 0.9° | 0.0° |
| C29 | C30 | C24 | O27 | 0.0° | 0.3° |
| C29 | C30 | C24 | H4 | 180.0° | 180.0° |
| C29 | C30 | C24 | C23 | 179.6° | 180.0° |
| C30 | C29 | C28 | H16 | 178.8° | 180.0° |
| C17 | C16 | C1 | C25 | 0.2° | 0.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C1 | H1 | 179.8° | 179.8° |
| C16 | C17 | C18 | H9 | 179.9° | 179.9° |
| C1 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C1 | C25 | H1 | 180.0° | 179.8° |
| C16 | C1 | C25 | C19 | 1.0° | 0.0° |
| C16 | C1 | C25 | H12 | 178.9° | 179.7° |
| O27 | C24 | C30 | C23 | 179.7° | 179.8° |
| O27 | C24 | C23 | N21 | 58.9° | 89.7° |
| O27 | C24 | C30 | H4 | 180.0° | 179.7° |
| O27 | C24 | C23 | H10 | 178.8° | 30.3° |
| O27 | C24 | C23 | H11 | 60.9° | 150.3° |
| C24 | O27 | C28 | H16 | 178.8° | 179.9° |
| C6 | C5 | C4 | O11 | 178.9° | 179.8° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 6.6° | 0.3° |
| C5 | C6 | C7 | C20 | 176.1° | 179.9° |
| C5 | C6 | C7 | C2 | 3.9° | 0.0° |
| C5 | C4 | O11 | C3 | 174.5° | 180.0° |
| C4 | C5 | C6 | C7 | 5.5° | 0.3° |
| C5 | C4 | C3 | C2 | 6.1° | 0.0° |
| C5 | C4 | C3 | H2 | 173.9° | 179.9° |
| C4 | C5 | C6 | H5 | 174.5° | 179.7° |
| C5 | C4 | O11 | H6 | 180.0° | 90.0° |
| O11 | C4 | C3 | C2 | 179.5° | 180.0° |
| O11 | C4 | C3 | H2 | 0.5° | 0.0° |
| C17 | C18 | C19 | H9 | 180.0° | 180.0° |
| C17 | C18 | C19 | C25 | 0.7° | 0.0° |
| C17 | C18 | C19 | H3 | 179.3° | 180.0° |
| C30 | C24 | C23 | N21 | 120.7° | 90.0° |
| C30 | C24 | C23 | H10 | 0.9° | 150.0° |
| C30 | C24 | C23 | H11 | 119.4° | 30.0° |
| C24 | C30 | C29 | H17 | 179.3° | 179.9° |
| C6 | C7 | C20 | C2 | 171.7° | 179.9° |
| C6 | C7 | C2 | C3 | 3.4° | 0.3° |
| C6 | C7 | C20 | N21 | 90.8° | 56.2° |
| C6 | C7 | C20 | O22 | 82.6° | 123.8° |
| C6 | C7 | C2 | O12 | 179.1° | 180.0° |
| C4 | C3 | C2 | C7 | 4.5° | 0.3° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | O12 | 178.1° | 180.0° |
| C3 | C4 | O11 | H6 | 5.5° | 90.0° |
| C1 | C25 | C19 | C18 | 1.2° | 0.0° |
| C1 | C25 | C19 | H12 | 180.0° | 179.7° |
| C1 | C25 | C19 | H3 | 178.8° | 180.0° |
| C24 | C23 | N21 | C26 | 67.6° | 90.0° |
| C24 | C23 | N21 | H10 | 119.9° | 120.0° |
| C24 | C23 | N21 | H11 | 119.9° | 120.0° |
| C24 | C23 | N21 | C20 | 116.4° | 90.0° |
| C23 | C24 | C30 | H4 | 0.3° | 0.0° |
| C24 | C23 | H10 | H11 | 120.4° | 120.0° |
| C18 | C19 | C25 | H3 | 180.0° | 180.0° |
| C18 | C19 | C25 | H12 | 178.7° | 179.7° |
| C26 | N21 | C20 | C7 | 10.0° | 5.8° |
| C26 | N21 | C23 | C20 | 176.1° | 180.0° |
| C26 | N21 | C20 | O22 | 176.8° | 174.2° |
| C26 | N21 | C23 | H10 | 52.3° | 150.0° |
| C26 | N21 | C23 | H11 | 172.6° | 30.0° |
| N21 | C26 | H13 | H14 | 120.0° | 120.0° |
| N21 | C26 | H13 | H15 | 120.0° | 120.1° |
| N21 | C26 | H14 | H15 | 120.0° | 120.1° |
| C20 | C7 | C2 | C3 | 174.8° | 179.8° |
| C7 | C20 | N21 | C23 | 174.2° | 174.2° |
| C7 | C20 | N21 | O22 | 173.2° | 180.0° |
| C20 | C7 | C2 | O12 | 7.7° | 0.0° |
| C20 | C7 | C6 | H5 | 3.9° | 0.1° |
| C7 | C2 | C3 | O12 | 177.4° | 179.8° |
| C2 | C7 | C20 | N21 | 80.9° | 123.7° |
| C2 | C7 | C20 | O22 | 105.7° | 56.3° |
| C7 | C2 | C3 | H2 | 175.5° | 179.8° |
| C2 | C7 | C6 | H5 | 176.1° | 180.0° |
| C7 | C2 | O12 | H7 | 180.0° | 90.3° |
| C3 | C2 | O12 | H7 | 2.5° | 90.0° |
| C23 | N21 | C20 | O22 | 1.0° | 5.8° |
| N21 | C23 | H10 | H11 | 120.4° | 120.0° |
| C23 | N21 | C26 | H13 | 180.0° | 95.4° |
| C23 | N21 | C26 | H14 | 60.0° | 144.7° |
| C23 | N21 | C26 | H15 | 60.0° | 24.7° |
| C20 | N21 | C23 | H10 | 123.8° | 30.0° |
| C20 | N21 | C23 | H11 | 3.5° | 150.0° |
| C20 | N21 | C26 | H13 | 4.0° | 84.6° |
| C20 | N21 | C26 | H14 | 124.0° | 35.3° |
| C20 | N21 | C26 | H15 | 116.0° | 155.4° |
| C19 | C25 | C1 | H1 | 179.0° | 179.7° |
| C25 | C19 | C18 | H9 | 179.3° | 180.0° |
| O12 | C2 | C3 | H2 | 1.9° | 0.0° |
| H1 | C1 | C25 | H12 | 1.0° | 0.1° |
| H3 | C19 | C18 | H9 | 0.7° | 0.1° |
| H3 | C19 | C25 | H12 | 1.3° | 0.3° |
| H4 | C30 | C29 | H17 | 0.7° | 0.1° |
| H13 | C26 | H14 | H15 | 120.0° | 120.0° |
| H16 | C28 | C29 | H17 | 1.2° | 0.0° |
