G6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C2 | sing | 1.35Å | 1.34Å | |
| N2 | C8 | doub | 1.33Å | 1.33Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.39Å | 1.36Å | |
| N1 | C6 | sing | 1.40Å | 1.42Å | |
| C8 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | N4 | sing | 1.47Å | 1.50Å | |
| C9 | N4 | sing | 1.40Å | 1.42Å | |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.34Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| N3 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| N4 | C11 | sing | 1.35Å | 1.37Å | |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | N5 | sing | 1.38Å | 1.40Å | |
| C4 | F1 | sing | 1.35Å | 1.36Å | |
| C11 | O2 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| N5 | C12 | sing | 1.47Å | 1.47Å | |
| N5 | C16 | sing | 1.47Å | 1.48Å | |
| C12 | C19 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C15 | 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 | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C2 | C1 | 119.1° | 120.0° |
| F2 | C2 | C3 | 118.8° | 120.0° |
| C8 | N2 | C7 | 117.5° | 120.9° |
| N2 | C8 | C9 | 122.2° | 118.9° |
| N2 | C8 | H4 | 119.0° | 120.5° |
| N2 | C7 | N1 | 117.0° | 119.0° |
| N2 | C7 | N3 | 124.6° | 122.0° |
| C2 | C1 | C6 | 118.9° | 120.0° |
| C1 | C2 | C3 | 122.1° | 120.0° |
| C2 | C1 | H9 | 120.6° | 120.0° |
| C1 | C6 | N1 | 115.5° | 120.0° |
| C1 | C6 | C5 | 120.3° | 120.0° |
| C6 | C1 | H9 | 120.6° | 120.0° |
| C7 | N1 | C6 | 131.5° | 120.0° |
| N1 | C7 | N3 | 118.4° | 119.0° |
| C7 | N1 | H8 | 114.2° | 120.0° |
| N1 | C6 | C5 | 124.2° | 120.0° |
| C6 | N1 | H8 | 114.2° | 120.0° |
| C8 | C9 | N4 | 124.3° | 121.4° |
| C8 | C9 | C10 | 116.2° | 118.9° |
| C9 | C8 | H4 | 118.9° | 120.6° |
| C2 | C3 | O1 | 121.4° | 120.0° |
| C2 | C3 | C4 | 118.2° | 120.0° |
| C7 | N3 | C10 | 118.7° | 120.4° |
| C15 | C14 | C13 | 114.2° | 109.5° |
| C15 | C14 | H1 | 108.3° | 109.4° |
| C15 | C14 | H2 | 108.3° | 109.4° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.4° | 109.5° |
| C14 | C15 | H13 | 109.5° | 109.4° |
| C6 | C5 | C4 | 118.8° | 120.0° |
| C6 | C5 | H3 | 120.6° | 120.0° |
| C14 | C13 | N4 | 114.6° | 109.5° |
| C13 | C14 | H1 | 108.3° | 109.5° |
| C13 | C14 | H2 | 108.2° | 109.5° |
| C14 | C13 | H6 | 108.2° | 109.5° |
| C14 | C13 | H7 | 108.2° | 109.5° |
| C13 | N4 | C9 | 121.3° | 120.8° |
| C13 | N4 | C11 | 118.6° | 120.9° |
| N4 | C13 | H6 | 108.2° | 109.5° |
| N4 | C13 | H7 | 108.2° | 109.4° |
| N4 | C9 | C10 | 119.5° | 119.7° |
| C9 | N4 | C11 | 120.1° | 118.3° |
| C9 | C10 | N3 | 120.8° | 118.8° |
| C9 | C10 | N5 | 120.8° | 120.3° |
| O1 | C3 | C4 | 120.3° | 120.0° |
| C3 | O1 | H10 | 109.5° | 114.0° |
| C3 | C4 | C5 | 121.7° | 120.0° |
| C3 | C4 | F1 | 118.2° | 120.0° |
| N3 | C10 | N5 | 118.4° | 120.9° |
| N4 | C11 | O2 | 122.7° | 120.3° |
| N4 | C11 | C12 | 117.0° | 119.4° |
| C5 | C4 | F1 | 120.1° | 120.1° |
| C4 | C5 | H3 | 120.6° | 119.9° |
| C10 | N5 | C12 | 119.5° | 112.1° |
| C10 | N5 | C16 | 122.5° | 111.0° |
| O2 | C11 | C12 | 120.3° | 120.3° |
| C11 | C12 | N5 | 111.7° | 110.2° |
| C11 | C12 | C19 | 111.8° | 109.3° |
| C11 | C12 | H5 | 107.8° | 109.3° |
| C12 | N5 | C16 | 117.9° | 111.2° |
| N5 | C12 | C19 | 109.4° | 109.4° |
| N5 | C12 | H5 | 108.3° | 109.2° |
| N5 | C16 | C17 | 114.3° | 109.5° |
| N5 | C16 | H14 | 108.2° | 109.4° |
| N5 | C16 | H15 | 108.3° | 109.5° |
| C19 | C12 | H5 | 107.7° | 109.4° |
| C12 | C19 | H21 | 109.5° | 109.5° |
| C12 | C19 | H22 | 109.4° | 109.4° |
| C12 | C19 | H23 | 109.5° | 109.5° |
| C16 | C17 | C18 | 111.4° | 109.4° |
| C17 | C16 | H14 | 108.3° | 109.5° |
| C17 | C16 | H15 | 108.3° | 109.5° |
| C16 | C17 | H16 | 109.0° | 109.5° |
| C16 | C17 | H17 | 109.0° | 109.5° |
| C18 | C17 | H16 | 109.0° | 109.5° |
| C18 | C17 | H17 | 109.0° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.4° |
| C17 | C18 | H19 | 109.5° | 109.4° |
| C17 | C18 | H20 | 109.5° | 109.4° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.6° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.4° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H21 | C19 | H23 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C2 | C1 | C3 | 180.0° | 179.7° |
| F2 | C2 | C1 | C6 | 180.0° | 180.0° |
| F2 | C2 | C3 | O1 | 0.2° | 0.2° |
| F2 | C2 | C3 | C4 | 179.9° | 179.7° |
| F2 | C2 | C1 | H9 | 0.0° | 0.3° |
| C8 | N2 | C7 | N1 | 179.4° | 179.9° |
| N2 | C8 | C9 | H4 | 180.0° | 179.9° |
| C8 | N2 | C7 | N3 | 0.4° | 0.1° |
| N2 | C8 | C9 | N4 | 179.8° | 179.9° |
| N2 | C8 | C9 | C10 | 1.8° | 0.0° |
| N2 | C7 | N1 | N3 | 179.1° | 179.9° |
| N2 | C7 | N1 | C6 | 166.7° | 5.4° |
| C7 | N2 | C8 | C9 | 0.9° | 0.1° |
| N2 | C7 | N3 | C10 | 0.7° | 0.0° |
| C7 | N2 | C8 | H4 | 179.1° | 179.9° |
| N2 | C7 | N1 | H8 | 13.3° | 174.6° |
| C2 | C1 | C6 | H9 | 180.0° | 179.7° |
| C2 | C1 | C6 | N1 | 179.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.3° |
| C1 | C2 | C3 | O1 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C6 | N1 | C7 | 158.6° | 146.9° |
| C1 | C6 | N1 | C5 | 179.1° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C1 | C6 | C5 | H3 | 179.8° | 180.0° |
| C1 | C6 | N1 | H8 | 21.4° | 33.1° |
| C7 | N1 | C6 | H8 | 180.0° | 180.0° |
| C7 | N1 | C6 | C5 | 22.3° | 33.0° |
| N1 | C7 | N3 | C10 | 179.7° | 179.9° |
| C6 | N1 | C7 | N3 | 14.2° | 174.7° |
| N1 | C6 | C5 | C4 | 178.8° | 180.0° |
| N1 | C6 | C5 | H3 | 1.1° | 0.1° |
| N1 | C6 | C1 | H9 | 0.9° | 0.0° |
| C8 | C9 | N4 | C13 | 11.5° | 17.8° |
| C8 | C9 | N4 | C10 | 178.0° | 179.8° |
| C8 | C9 | C10 | N3 | 1.5° | 0.1° |
| C8 | C9 | N4 | C11 | 169.5° | 162.3° |
| C8 | C9 | C10 | N5 | 179.4° | 179.5° |
| C2 | C3 | O1 | C4 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.3° |
| C2 | C3 | C4 | F1 | 178.8° | 179.9° |
| C3 | C2 | C1 | H9 | 179.9° | 180.0° |
| C2 | C3 | O1 | H10 | 180.0° | 90.0° |
| C7 | N3 | C10 | C9 | 0.3° | 0.1° |
| C7 | N3 | C10 | N5 | 178.3° | 179.5° |
| N3 | C7 | N1 | H8 | 165.8° | 5.3° |
| C15 | C14 | C13 | H1 | 120.7° | 119.9° |
| C15 | C14 | C13 | H2 | 120.7° | 120.0° |
| C15 | C14 | C13 | N4 | 51.8° | 180.0° |
| C15 | C14 | H1 | H2 | 117.9° | 120.0° |
| C15 | C14 | C13 | H6 | 172.5° | 60.0° |
| C15 | C14 | C13 | H7 | 69.0° | 60.1° |
| C14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C14 | C15 | H11 | H13 | 120.0° | 120.0° |
| C14 | C15 | H12 | H13 | 120.0° | 119.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.3° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | F1 | 178.8° | 180.0° |
| C5 | C6 | N1 | H8 | 157.7° | 146.9° |
| C5 | C6 | C1 | H9 | 179.9° | 179.9° |
| C14 | C13 | N4 | H6 | 120.8° | 120.1° |
| C14 | C13 | N4 | H7 | 120.8° | 120.0° |
| C14 | C13 | N4 | C9 | 112.0° | 90.0° |
| C14 | C13 | N4 | C11 | 68.9° | 89.9° |
| C13 | C14 | H1 | H2 | 117.8° | 120.1° |
| C14 | C13 | H6 | H7 | 117.7° | 120.1° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H12 | 60.0° | 60.0° |
| C13 | C14 | C15 | H13 | 60.0° | 60.0° |
| C13 | N4 | C9 | C11 | 179.0° | 179.9° |
| C13 | N4 | C9 | C10 | 170.5° | 162.4° |
| C13 | N4 | C11 | O2 | 31.6° | 1.3° |
| C13 | N4 | C11 | C12 | 148.7° | 179.0° |
| N4 | C13 | C14 | H1 | 68.9° | 60.1° |
| N4 | C13 | C14 | H2 | 172.5° | 60.0° |
| N4 | C13 | H6 | H7 | 117.7° | 119.9° |
| N4 | C9 | C10 | N3 | 179.6° | 179.7° |
| N4 | C9 | C10 | N5 | 2.5° | 0.7° |
| C9 | N4 | C11 | O2 | 149.4° | 178.6° |
| C9 | N4 | C11 | C12 | 30.3° | 1.1° |
| N4 | C9 | C8 | H4 | 0.1° | 0.2° |
| C9 | N4 | C13 | H6 | 127.2° | 30.1° |
| C9 | N4 | C13 | H7 | 8.7° | 150.0° |
| C9 | C10 | N3 | N5 | 178.0° | 179.6° |
| C10 | C9 | N4 | C11 | 8.5° | 17.5° |
| C9 | C10 | N5 | C12 | 9.7° | 35.7° |
| C9 | C10 | N5 | C16 | 173.2° | 89.3° |
| C10 | C9 | C8 | H4 | 178.2° | 180.0° |
| O1 | C3 | C4 | C5 | 180.0° | 179.7° |
| O1 | C3 | C4 | F1 | 1.5° | 0.1° |
| C3 | C4 | C5 | F1 | 178.5° | 179.6° |
| C3 | C4 | C5 | H3 | 179.7° | 179.8° |
| C4 | C3 | O1 | H10 | 0.3° | 89.9° |
| N3 | C10 | N5 | C12 | 168.2° | 144.7° |
| N3 | C10 | N5 | C16 | 8.8° | 90.3° |
| N4 | C11 | O2 | C12 | 179.7° | 179.8° |
| N4 | C11 | C12 | N5 | 39.7° | 34.8° |
| N4 | C11 | C12 | C19 | 83.3° | 155.1° |
| N4 | C11 | C12 | H5 | 158.6° | 85.2° |
| C11 | N4 | C13 | H6 | 51.9° | 150.0° |
| C11 | N4 | C13 | H7 | 170.3° | 30.1° |
| C10 | N5 | C12 | C11 | 29.4° | 50.5° |
| C10 | N5 | C12 | C16 | 177.2° | 124.9° |
| C10 | N5 | C12 | C19 | 94.9° | 170.8° |
| C10 | N5 | C16 | C17 | 79.2° | 65.2° |
| C10 | N5 | C12 | H5 | 148.0° | 69.6° |
| C10 | N5 | C16 | H14 | 160.1° | 174.8° |
| C10 | N5 | C16 | H15 | 41.5° | 54.9° |
| F1 | C4 | C5 | H3 | 1.2° | 0.1° |
| O2 | C11 | C12 | N5 | 140.0° | 144.9° |
| O2 | C11 | C12 | C19 | 97.0° | 24.7° |
| O2 | C11 | C12 | H5 | 21.2° | 95.0° |
| C11 | C12 | N5 | C19 | 124.3° | 120.2° |
| C11 | C12 | N5 | H5 | 118.5° | 120.1° |
| C11 | C12 | N5 | C16 | 153.4° | 74.3° |
| C11 | C12 | C19 | H5 | 118.2° | 119.6° |
| C11 | C12 | C19 | H21 | 180.0° | 53.0° |
| C11 | C12 | C19 | H22 | 60.0° | 173.1° |
| C11 | C12 | C19 | H23 | 60.0° | 67.0° |
| N5 | C12 | C19 | H5 | 117.5° | 119.6° |
| C12 | N5 | C16 | C17 | 103.7° | 169.4° |
| C12 | N5 | C16 | H14 | 17.0° | 49.4° |
| C12 | N5 | C16 | H15 | 135.6° | 70.6° |
| N5 | C12 | C19 | H21 | 55.7° | 67.8° |
| N5 | C12 | C19 | H22 | 175.7° | 52.3° |
| N5 | C12 | C19 | H23 | 64.3° | 172.2° |
| C16 | N5 | C12 | C19 | 82.3° | 45.9° |
| N5 | C16 | C17 | H14 | 120.7° | 120.0° |
| N5 | C16 | C17 | H15 | 120.7° | 120.0° |
| N5 | C16 | C17 | C18 | 62.7° | 180.0° |
| C16 | N5 | C12 | H5 | 34.9° | 165.5° |
| N5 | C16 | H14 | H15 | 117.8° | 120.0° |
| N5 | C16 | C17 | H16 | 177.0° | 60.1° |
| N5 | C16 | C17 | H17 | 57.6° | 60.0° |
| C12 | C19 | H21 | H22 | 120.0° | 120.0° |
| C12 | C19 | H21 | H23 | 120.0° | 120.0° |
| C12 | C19 | H22 | H23 | 120.0° | 120.0° |
| C16 | C17 | C18 | H16 | 120.3° | 120.0° |
| C16 | C17 | C18 | H17 | 120.3° | 120.0° |
| C17 | C16 | H14 | H15 | 117.8° | 120.0° |
| C16 | C17 | H16 | H17 | 119.1° | 120.1° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | H19 | 60.0° | 60.0° |
| C16 | C17 | C18 | H20 | 60.0° | 60.0° |
| C18 | C17 | C16 | H14 | 58.0° | 60.0° |
| C18 | C17 | C16 | H15 | 176.6° | 60.0° |
| C18 | C17 | H16 | H17 | 119.1° | 120.0° |
| C17 | C18 | H18 | H19 | 120.0° | 119.9° |
| C17 | C18 | H18 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| H1 | C14 | C13 | H6 | 51.8° | 59.9° |
| H1 | C14 | C13 | H7 | 170.3° | 180.0° |
| H1 | C14 | C15 | H11 | 59.3° | 60.0° |
| H1 | C14 | C15 | H12 | 60.7° | 180.0° |
| H1 | C14 | C15 | H13 | 179.3° | 60.1° |
| H2 | C14 | C13 | H6 | 66.7° | 180.0° |
| H2 | C14 | C13 | H7 | 51.8° | 59.9° |
| H2 | C14 | C15 | H11 | 59.3° | 60.0° |
| H2 | C14 | C15 | H12 | 179.3° | 60.0° |
| H2 | C14 | C15 | H13 | 60.7° | 179.9° |
| H5 | C12 | C19 | H21 | 61.8° | 172.7° |
| H5 | C12 | C19 | H22 | 58.2° | 67.3° |
| H5 | C12 | C19 | H23 | 178.2° | 52.7° |
| H11 | C15 | H12 | H13 | 120.0° | 120.1° |
| H14 | C16 | C17 | H16 | 62.3° | 180.0° |
| H14 | C16 | C17 | H17 | 178.3° | 60.0° |
| H15 | C16 | C17 | H16 | 56.3° | 60.0° |
| H15 | C16 | C17 | H17 | 63.1° | 180.0° |
| H16 | C17 | C18 | H18 | 59.7° | 60.1° |
| H16 | C17 | C18 | H19 | 179.7° | 180.0° |
| H16 | C17 | C18 | H20 | 60.3° | 59.9° |
| H17 | C17 | C18 | H18 | 59.7° | 60.0° |
| H17 | C17 | C18 | H19 | 60.3° | 60.0° |
| H17 | C17 | C18 | H20 | 179.7° | 179.9° |
| H18 | C18 | H19 | H20 | 120.0° | 120.1° |
| H21 | C19 | H22 | H23 | 120.0° | 120.0° |
