6GC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C2 | sing | 1.36Å | 1.34Å | |
| O22 | C20 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C7 | sing | 1.47Å | 1.48Å | |
| C20 | N21 | sing | 1.35Å | 1.37Å | |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | N21 | sing | 1.46Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| N21 | C26 | sing | 1.47Å | 1.47Å | |
| C1 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | O11 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C24 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C5 | C8 | sing | 1.48Å | 1.48Å | |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | N10 | sing | 1.40Å | 1.42Å | |
| C17 | F29 | sing | 1.35Å | 1.35Å | |
| C8 | N10 | sing | 1.38Å | 1.39Å | |
| C8 | N9 | doub | 1.30Å | 1.31Å | |
| N10 | C14 | sing | 1.35Å | 1.36Å | |
| N9 | N13 | sing | 1.40Å | 1.40Å | |
| C14 | O15 | doub | 1.22Å | 1.23Å | |
| C14 | N13 | sing | 1.35Å | 1.36Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| O11 | H10 | sing | 0.97Å | 0.95Å | |
| O12 | H11 | sing | 0.97Å | 0.95Å | |
| N13 | H12 | sing | 0.97Å | 1.00Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C2 | C3 | 120.6° | 120.0° |
| O12 | C2 | C7 | 119.3° | 119.9° |
| C2 | O12 | H11 | 109.5° | 114.0° |
| O22 | C20 | C7 | 119.8° | 120.0° |
| O22 | C20 | N21 | 120.0° | 120.0° |
| C3 | C2 | C7 | 120.2° | 120.1° |
| C2 | C3 | C4 | 120.1° | 120.2° |
| C2 | C3 | H2 | 120.0° | 119.9° |
| C2 | C7 | C20 | 126.4° | 120.1° |
| C2 | C7 | C6 | 118.9° | 119.8° |
| C7 | C20 | N21 | 119.6° | 120.0° |
| C20 | C7 | C6 | 114.2° | 120.0° |
| C20 | N21 | C23 | 121.2° | 120.0° |
| C20 | N21 | C26 | 122.1° | 120.0° |
| C3 | C4 | O11 | 121.2° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.1° |
| C4 | C3 | H2 | 119.9° | 119.8° |
| C19 | C25 | C1 | 119.5° | 120.1° |
| C25 | C19 | C18 | 120.7° | 120.2° |
| C25 | C19 | H3 | 119.6° | 119.9° |
| C19 | C25 | H16 | 120.3° | 119.9° |
| C25 | C1 | C16 | 120.9° | 120.0° |
| C25 | C1 | H1 | 119.6° | 120.0° |
| C1 | C25 | H16 | 120.2° | 119.9° |
| C7 | C6 | C5 | 121.1° | 119.8° |
| C7 | C6 | H9 | 119.4° | 120.1° |
| C19 | C18 | C17 | 119.5° | 120.0° |
| C18 | C19 | H3 | 119.6° | 120.0° |
| C19 | C18 | H13 | 120.2° | 120.0° |
| N21 | C23 | C24 | 110.2° | 109.5° |
| C23 | N21 | C26 | 116.7° | 120.0° |
| N21 | C23 | H14 | 109.3° | 109.4° |
| N21 | C23 | H15 | 109.3° | 109.5° |
| C23 | C24 | C28 | 108.8° | 109.5° |
| C23 | C24 | H4 | 109.6° | 109.5° |
| C23 | C24 | H5 | 109.6° | 109.5° |
| C24 | C23 | H14 | 109.3° | 109.5° |
| C24 | C23 | H15 | 109.3° | 109.5° |
| N21 | C26 | H17 | 109.5° | 109.4° |
| N21 | C26 | H18 | 109.4° | 109.5° |
| N21 | C26 | H19 | 109.5° | 109.4° |
| C1 | C16 | C17 | 118.8° | 119.8° |
| C1 | C16 | N10 | 120.9° | 120.1° |
| C16 | C1 | H1 | 119.5° | 120.0° |
| O11 | C4 | C5 | 119.1° | 119.9° |
| C4 | O11 | H10 | 109.5° | 114.0° |
| C4 | C5 | C6 | 119.9° | 119.9° |
| C4 | C5 | C8 | 122.2° | 120.1° |
| C18 | C17 | C16 | 120.5° | 119.9° |
| C18 | C17 | F29 | 120.1° | 120.1° |
| C17 | C18 | H13 | 120.2° | 120.0° |
| C6 | C5 | C8 | 117.9° | 120.0° |
| C5 | C6 | H9 | 119.5° | 120.1° |
| C24 | C28 | C27 | 108.3° | 109.5° |
| C28 | C24 | H4 | 109.6° | 109.5° |
| C28 | C24 | H5 | 109.6° | 109.5° |
| C24 | C28 | H20 | 109.8° | 109.5° |
| C24 | C28 | H21 | 109.8° | 109.4° |
| C28 | C27 | H6 | 109.5° | 109.5° |
| C28 | C27 | H7 | 109.5° | 109.5° |
| C28 | C27 | H8 | 109.5° | 109.4° |
| C27 | C28 | H20 | 109.8° | 109.5° |
| C27 | C28 | H21 | 109.8° | 109.4° |
| C5 | C8 | N10 | 123.3° | 125.8° |
| C5 | C8 | N9 | 127.1° | 125.7° |
| C17 | C16 | N10 | 120.3° | 120.1° |
| C16 | C17 | F29 | 119.4° | 120.1° |
| C16 | N10 | C8 | 126.8° | 125.8° |
| C16 | N10 | C14 | 126.0° | 125.9° |
| N10 | C8 | N9 | 109.6° | 108.5° |
| C8 | N10 | C14 | 107.2° | 108.3° |
| C8 | N9 | N13 | 107.0° | 108.0° |
| N10 | C14 | O15 | 125.7° | 126.2° |
| N10 | C14 | N13 | 107.7° | 107.6° |
| N9 | N13 | C14 | 108.5° | 107.6° |
| N9 | N13 | H12 | 125.8° | 126.2° |
| O15 | C14 | N13 | 126.6° | 126.2° |
| C14 | N13 | H12 | 125.8° | 126.2° |
| H4 | C24 | H5 | 109.5° | 109.4° |
| H6 | C27 | H7 | 109.5° | 109.5° |
| H6 | C27 | H8 | 109.5° | 109.5° |
| H7 | C27 | H8 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H17 | C26 | H19 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C2 | C3 | C7 | 179.5° | 179.8° |
| O12 | C2 | C7 | C20 | 7.2° | 0.2° |
| O12 | C2 | C3 | C4 | 179.2° | 179.7° |
| O12 | C2 | C7 | C6 | 178.5° | 179.7° |
| O12 | C2 | C3 | H2 | 0.8° | 0.3° |
| O22 | C20 | C7 | C2 | 110.8° | 51.3° |
| O22 | C20 | C7 | N21 | 171.0° | 179.9° |
| O22 | C20 | C7 | C6 | 77.5° | 128.6° |
| O22 | C20 | N21 | C23 | 1.3° | 5.8° |
| O22 | C20 | N21 | C26 | 179.3° | 174.1° |
| C3 | C2 | C7 | C20 | 173.3° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 2.0° | 0.0° |
| C2 | C3 | C4 | O11 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C3 | C2 | O12 | H11 | 180.0° | 90.0° |
| C2 | C7 | C20 | C6 | 171.6° | 180.0° |
| C2 | C7 | C20 | N21 | 78.1° | 128.6° |
| C7 | C2 | C3 | C4 | 1.3° | 0.1° |
| C2 | C7 | C6 | C5 | 3.0° | 0.0° |
| C7 | C2 | C3 | H2 | 178.7° | 180.0° |
| C2 | C7 | C6 | H9 | 177.0° | 179.9° |
| C7 | C2 | O12 | H11 | 0.5° | 90.2° |
| C7 | C20 | N21 | C23 | 172.3° | 174.3° |
| C7 | C20 | N21 | C26 | 9.7° | 5.8° |
| C20 | C7 | C6 | C5 | 175.3° | 180.0° |
| C20 | C7 | C6 | H9 | 4.7° | 0.0° |
| N21 | C20 | C7 | C6 | 93.5° | 51.5° |
| C20 | N21 | C23 | C26 | 178.2° | 180.0° |
| C20 | N21 | C23 | C24 | 95.7° | 90.0° |
| C20 | N21 | C23 | H14 | 24.4° | 30.1° |
| C20 | N21 | C23 | H15 | 144.2° | 150.0° |
| C20 | N21 | C26 | H17 | 180.0° | 92.0° |
| C20 | N21 | C26 | H18 | 60.0° | 148.0° |
| C20 | N21 | C26 | H19 | 60.0° | 27.9° |
| C3 | C4 | O11 | C5 | 179.3° | 180.0° |
| C3 | C4 | C5 | C6 | 2.5° | 0.0° |
| C3 | C4 | C5 | C8 | 175.7° | 180.0° |
| C3 | C4 | O11 | H10 | 180.0° | 90.0° |
| C19 | C25 | C1 | H16 | 180.0° | 179.4° |
| C25 | C19 | C18 | H3 | 180.0° | 179.7° |
| C19 | C25 | C1 | C16 | 0.2° | 0.6° |
| C25 | C19 | C18 | C17 | 0.4° | 0.3° |
| C19 | C25 | C1 | H1 | 179.7° | 179.7° |
| C25 | C19 | C18 | H13 | 179.6° | 180.0° |
| C1 | C25 | C19 | C18 | 0.6° | 0.6° |
| C25 | C1 | C16 | H1 | 180.0° | 179.7° |
| C25 | C1 | C16 | C17 | 0.4° | 0.3° |
| C25 | C1 | C16 | N10 | 179.2° | 179.7° |
| C1 | C25 | C19 | H3 | 179.4° | 179.7° |
| C7 | C6 | C5 | C4 | 3.3° | 0.0° |
| C7 | C6 | C5 | H9 | 180.0° | 179.9° |
| C7 | C6 | C5 | C8 | 175.0° | 180.0° |
| C19 | C18 | C17 | H13 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C19 | C18 | C17 | F29 | 179.7° | 180.0° |
| C18 | C19 | C25 | H16 | 179.4° | 180.0° |
| N21 | C23 | C24 | H14 | 120.1° | 120.0° |
| N21 | C23 | C24 | H15 | 120.1° | 120.0° |
| N21 | C23 | C24 | C28 | 168.0° | 180.0° |
| N21 | C23 | C24 | H4 | 48.1° | 60.0° |
| N21 | C23 | C24 | H5 | 72.1° | 60.0° |
| N21 | C23 | H14 | H15 | 119.7° | 119.9° |
| C23 | N21 | C26 | H17 | 1.8° | 88.0° |
| C23 | N21 | C26 | H18 | 118.1° | 32.0° |
| C23 | N21 | C26 | H19 | 121.9° | 152.0° |
| C24 | C23 | N21 | C26 | 86.1° | 90.0° |
| C23 | C24 | C28 | H4 | 119.9° | 120.0° |
| C23 | C24 | C28 | H5 | 119.9° | 120.0° |
| C23 | C24 | C28 | C27 | 122.3° | 180.0° |
| C23 | C24 | H4 | H5 | 120.3° | 120.0° |
| C24 | C23 | H14 | H15 | 119.7° | 120.0° |
| C23 | C24 | C28 | H20 | 117.9° | 60.0° |
| C23 | C24 | C28 | H21 | 2.4° | 60.0° |
| C26 | N21 | C23 | H14 | 153.8° | 150.0° |
| C26 | N21 | C23 | H15 | 34.0° | 30.1° |
| N21 | C26 | H17 | H18 | 120.0° | 120.0° |
| N21 | C26 | H17 | H19 | 120.0° | 120.0° |
| N21 | C26 | H18 | H19 | 120.0° | 120.0° |
| C1 | C16 | C17 | C18 | 0.6° | 0.0° |
| C1 | C16 | C17 | N10 | 178.8° | 180.0° |
| C1 | C16 | C17 | F29 | 179.9° | 180.0° |
| C1 | C16 | N10 | C8 | 70.5° | 94.8° |
| C1 | C16 | N10 | C14 | 109.0° | 85.2° |
| C16 | C1 | C25 | H16 | 179.8° | 179.9° |
| O11 | C4 | C5 | C6 | 178.2° | 180.0° |
| O11 | C4 | C5 | C8 | 3.6° | 0.0° |
| O11 | C4 | C3 | H2 | 0.9° | 0.0° |
| C4 | C5 | C6 | C8 | 178.3° | 179.9° |
| C4 | C5 | C8 | N10 | 125.2° | 173.2° |
| C4 | C5 | C8 | N9 | 54.9° | 6.5° |
| C5 | C4 | C3 | H2 | 178.5° | 180.0° |
| C4 | C5 | C6 | H9 | 176.7° | 180.0° |
| C5 | C4 | O11 | H10 | 0.7° | 90.0° |
| C18 | C17 | C16 | F29 | 179.5° | 180.0° |
| C18 | C17 | C16 | N10 | 179.4° | 180.0° |
| C17 | C18 | C19 | H3 | 179.6° | 179.9° |
| C6 | C5 | C8 | N10 | 53.0° | 6.9° |
| C6 | C5 | C8 | N9 | 126.8° | 173.4° |
| C24 | C28 | C27 | H20 | 119.8° | 120.1° |
| C24 | C28 | C27 | H21 | 119.8° | 119.9° |
| C28 | C24 | H4 | H5 | 120.3° | 120.0° |
| C24 | C28 | C27 | H6 | 180.0° | 180.0° |
| C24 | C28 | C27 | H7 | 60.0° | 59.9° |
| C24 | C28 | C27 | H8 | 60.0° | 60.1° |
| C28 | C24 | C23 | H14 | 71.9° | 60.0° |
| C28 | C24 | C23 | H15 | 47.9° | 59.9° |
| C24 | C28 | H20 | H21 | 120.5° | 120.0° |
| C27 | C28 | C24 | H4 | 2.4° | 59.9° |
| C27 | C28 | C24 | H5 | 117.9° | 60.0° |
| C28 | C27 | H6 | H7 | 120.0° | 120.0° |
| C28 | C27 | H6 | H8 | 120.0° | 119.9° |
| C28 | C27 | H7 | H8 | 120.0° | 120.0° |
| C27 | C28 | H20 | H21 | 120.5° | 120.0° |
| C5 | C8 | N10 | C16 | 2.3° | 0.3° |
| C5 | C8 | N10 | N9 | 179.8° | 179.7° |
| C5 | C8 | N10 | C14 | 178.2° | 179.7° |
| C5 | C8 | N9 | N13 | 178.5° | 179.7° |
| C8 | C5 | C6 | H9 | 5.0° | 0.1° |
| C17 | C16 | N10 | C8 | 108.4° | 85.2° |
| C17 | C16 | N10 | C14 | 72.2° | 94.8° |
| C17 | C16 | C1 | H1 | 179.7° | 180.0° |
| C16 | C17 | C18 | H13 | 179.8° | 179.7° |
| N10 | C16 | C17 | F29 | 1.1° | 0.0° |
| C16 | N10 | C8 | C14 | 179.5° | 180.0° |
| C16 | N10 | C8 | N9 | 177.8° | 180.0° |
| C16 | N10 | C14 | O15 | 0.9° | 0.0° |
| C16 | N10 | C14 | N13 | 178.2° | 180.0° |
| N10 | C16 | C1 | H1 | 0.8° | 0.0° |
| F29 | C17 | C18 | H13 | 0.4° | 0.3° |
| N10 | C8 | N9 | N13 | 1.3° | 0.0° |
| C8 | N10 | C14 | O15 | 179.6° | 180.0° |
| C8 | N10 | C14 | N13 | 1.3° | 0.0° |
| N9 | C8 | N10 | C14 | 1.7° | 0.0° |
| C8 | N9 | N13 | C14 | 0.5° | 0.0° |
| C8 | N9 | N13 | H12 | 179.4° | 179.9° |
| N10 | C14 | N13 | N9 | 0.5° | 0.0° |
| N10 | C14 | O15 | N13 | 179.0° | 180.0° |
| N10 | C14 | N13 | H12 | 179.5° | 179.9° |
| N9 | N13 | C14 | O15 | 179.6° | 180.0° |
| N9 | N13 | C14 | H12 | 180.0° | 179.9° |
| O15 | C14 | N13 | H12 | 0.4° | 0.0° |
| H1 | C1 | C25 | H16 | 0.3° | 0.3° |
| H3 | C19 | C18 | H13 | 0.4° | 0.2° |
| H3 | C19 | C25 | H16 | 0.6° | 0.3° |
| H4 | C24 | C23 | H14 | 168.2° | 60.0° |
| H4 | C24 | C23 | H15 | 72.0° | 180.0° |
| H4 | C24 | C28 | H20 | 122.2° | 180.0° |
| H4 | C24 | C28 | H21 | 117.5° | 60.0° |
| H5 | C24 | C23 | H14 | 48.0° | 180.0° |
| H5 | C24 | C23 | H15 | 167.8° | 60.1° |
| H5 | C24 | C28 | H20 | 2.0° | 60.0° |
| H5 | C24 | C28 | H21 | 122.3° | 180.0° |
| H6 | C27 | H7 | H8 | 120.0° | 120.0° |
| H6 | C27 | C28 | H20 | 60.2° | 59.9° |
| H6 | C27 | C28 | H21 | 60.2° | 60.1° |
| H7 | C27 | C28 | H20 | 179.8° | 180.0° |
| H7 | C27 | C28 | H21 | 59.8° | 60.0° |
| H8 | C27 | C28 | H20 | 59.8° | 60.0° |
| H8 | C27 | C28 | H21 | 179.8° | 180.0° |
| H17 | C26 | H18 | H19 | 120.0° | 120.0° |
