G4J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C18 | sing | 1.40Å | 1.33Å | |
| O1 | C15 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | F2 | sing | 1.40Å | 1.33Å | |
| C18 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C15 | N7 | sing | 1.35Å | 1.40Å | |
| C1 | N1 | sing | 1.46Å | 1.47Å | |
| C10 | N7 | sing | 1.48Å | 1.48Å | |
| C10 | C11 | sing | 1.55Å | 1.55Å | |
| C10 | C9 | sing | 1.54Å | 1.55Å | |
| N7 | C13 | sing | 1.48Å | 1.48Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| N1 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.40Å | Aromatic |
| C9 | N6 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.55Å | 1.55Å | |
| C13 | C14 | sing | 1.54Å | 1.55Å | |
| N2 | C4 | doub | 1.31Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| N6 | C14 | sing | 1.47Å | 1.47Å | |
| N6 | C8 | sing | 1.39Å | 1.39Å | |
| C4 | C3 | sing | 1.40Å | 1.44Å | Aromatic |
| C3 | N3 | sing | 1.41Å | 1.40Å | |
| N5 | C8 | doub | 1.33Å | 1.38Å | Aromatic |
| N5 | C5 | sing | 1.33Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C5 | sing | 1.38Å | 1.38Å | |
| C5 | N4 | doub | 1.32Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C18 | C17 | 122.0° | 117.5° |
| F1 | C18 | F2 | 106.1° | 115.6° |
| F1 | C18 | C16 | 121.7° | 117.5° |
| O1 | C15 | C16 | 121.6° | 120.0° |
| O1 | C15 | N7 | 120.9° | 120.1° |
| C18 | C17 | C16 | 60.5° | 60.0° |
| C17 | C18 | F2 | 122.0° | 117.5° |
| C17 | C18 | C16 | 60.2° | 60.0° |
| C18 | C17 | H20 | 119.9° | 117.4° |
| C18 | C17 | H21 | 119.9° | 117.5° |
| C17 | C16 | C18 | 59.3° | 60.0° |
| C17 | C16 | C15 | 116.8° | 117.5° |
| C17 | C16 | H3 | 116.9° | 117.5° |
| C16 | C17 | H20 | 119.9° | 117.5° |
| C16 | C17 | H21 | 119.9° | 117.5° |
| F2 | C18 | C16 | 119.6° | 117.5° |
| C18 | C16 | C15 | 116.5° | 117.5° |
| C18 | C16 | H3 | 116.8° | 117.5° |
| C16 | C15 | N7 | 117.2° | 119.9° |
| C15 | C16 | H3 | 117.7° | 115.6° |
| C15 | N7 | C10 | 121.3° | 128.4° |
| C15 | N7 | C13 | 124.6° | 128.5° |
| C1 | N1 | N2 | 120.9° | 126.1° |
| C1 | N1 | C2 | 126.2° | 126.0° |
| N1 | C1 | H4 | 109.5° | 109.5° |
| N1 | C1 | H5 | 109.5° | 109.5° |
| N1 | C1 | H6 | 109.5° | 109.5° |
| N7 | C10 | C11 | 104.2° | 104.0° |
| N7 | C10 | C9 | 105.5° | 107.0° |
| C10 | N7 | C13 | 103.5° | 103.1° |
| N7 | C10 | H1 | 112.5° | 112.5° |
| C11 | C10 | C9 | 111.0° | 107.7° |
| C10 | C11 | C12 | 105.0° | 104.6° |
| C11 | C10 | H1 | 111.6° | 112.9° |
| C10 | C11 | H15 | 110.6° | 110.4° |
| C10 | C11 | H14 | 110.6° | 110.4° |
| C10 | C9 | N6 | 109.2° | 109.0° |
| C10 | C9 | H13 | 109.6° | 109.6° |
| C10 | C9 | H12 | 109.5° | 109.6° |
| C9 | C10 | H1 | 111.6° | 112.3° |
| N7 | C13 | C12 | 104.6° | 104.0° |
| N7 | C13 | C14 | 105.9° | 107.0° |
| N7 | C13 | H2 | 112.8° | 112.4° |
| C11 | C12 | C13 | 104.7° | 104.6° |
| C12 | C11 | H15 | 110.6° | 110.4° |
| C12 | C11 | H14 | 110.6° | 110.4° |
| C11 | C12 | H17 | 110.7° | 110.4° |
| C11 | C12 | H16 | 110.7° | 110.4° |
| N2 | N1 | C2 | 112.9° | 107.9° |
| N1 | N2 | C4 | 105.6° | 108.4° |
| N1 | C2 | C3 | 105.1° | 107.6° |
| N1 | C2 | H7 | 127.5° | 126.2° |
| C9 | N6 | C14 | 117.0° | 111.6° |
| C9 | N6 | C8 | 120.2° | 111.0° |
| N6 | C9 | H13 | 109.5° | 109.6° |
| N6 | C9 | H12 | 109.5° | 109.6° |
| C12 | C13 | C14 | 109.8° | 107.7° |
| C12 | C13 | H2 | 111.7° | 113.0° |
| C13 | C12 | H17 | 110.7° | 110.4° |
| C13 | C12 | H16 | 110.7° | 110.4° |
| C13 | C14 | N6 | 109.7° | 108.9° |
| C14 | C13 | H2 | 111.7° | 112.2° |
| C13 | C14 | H19 | 109.4° | 109.6° |
| C13 | C14 | H18 | 109.4° | 109.6° |
| N2 | C4 | C3 | 110.1° | 108.3° |
| N2 | C4 | H8 | 124.9° | 125.9° |
| C2 | C3 | C4 | 106.4° | 107.9° |
| C2 | C3 | N3 | 131.4° | 126.1° |
| C3 | C2 | H7 | 127.4° | 126.2° |
| C14 | N6 | C8 | 119.3° | 111.0° |
| N6 | C14 | H19 | 109.4° | 110.1° |
| N6 | C14 | H18 | 109.4° | 109.0° |
| N6 | C8 | N5 | 115.7° | 120.5° |
| N6 | C8 | C7 | 122.0° | 120.5° |
| C4 | C3 | N3 | 122.2° | 126.0° |
| C3 | C4 | H8 | 124.9° | 125.8° |
| C3 | N3 | C5 | 124.5° | 120.0° |
| C3 | N3 | H9 | 117.8° | 120.0° |
| C8 | N5 | C5 | 115.3° | 120.6° |
| N5 | C8 | C7 | 122.2° | 119.0° |
| N5 | C5 | N3 | 118.2° | 119.2° |
| N5 | C5 | N4 | 126.6° | 121.7° |
| C8 | C7 | C6 | 116.6° | 118.5° |
| C8 | C7 | H11 | 121.7° | 120.8° |
| N3 | C5 | N4 | 115.2° | 119.2° |
| C5 | N3 | H9 | 117.7° | 120.0° |
| C5 | N4 | C6 | 114.3° | 120.9° |
| C7 | C6 | N4 | 124.8° | 119.3° |
| C6 | C7 | H11 | 121.7° | 120.7° |
| C7 | C6 | H10 | 117.6° | 120.4° |
| N4 | C6 | H10 | 117.6° | 120.3° |
| H13 | C9 | H12 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.4° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.5° |
| H15 | C11 | H14 | 109.5° | 110.4° |
| H17 | C12 | H16 | 109.4° | 110.4° |
| H19 | C14 | H18 | 109.5° | 109.7° |
| H20 | C17 | H21 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C18 | C17 | F2 | 140.8° | 145.0° |
| F1 | C18 | C17 | C16 | 110.9° | 107.5° |
| F1 | C18 | F2 | C16 | 142.5° | 145.7° |
| F1 | C18 | C16 | C15 | 4.5° | 0.0° |
| F1 | C18 | C16 | H3 | 141.9° | 145.0° |
| F1 | C18 | C17 | H20 | 139.5° | 145.1° |
| F1 | C18 | C17 | H21 | 1.3° | 0.0° |
| O1 | C15 | C16 | C17 | 25.0° | 68.6° |
| O1 | C15 | C16 | C18 | 42.1° | 0.0° |
| O1 | C15 | C16 | N7 | 173.5° | 180.0° |
| O1 | C15 | N7 | C10 | 17.6° | 0.0° |
| O1 | C15 | N7 | C13 | 156.3° | 180.0° |
| O1 | C15 | C16 | H3 | 171.8° | 145.6° |
| C18 | C17 | C16 | H20 | 109.6° | 107.4° |
| C18 | C17 | C16 | H21 | 109.6° | 107.5° |
| C17 | C18 | F2 | C16 | 71.4° | 68.6° |
| C17 | C18 | C16 | C15 | 106.8° | 107.5° |
| C18 | C17 | C16 | H3 | 106.7° | 107.5° |
| C18 | C17 | H20 | H21 | 144.5° | 145.7° |
| C17 | C16 | C15 | H3 | 146.7° | 145.7° |
| C17 | C16 | C15 | N7 | 161.5° | 111.4° |
| C16 | C17 | H20 | H21 | 144.5° | 145.7° |
| F2 | C18 | C16 | C15 | 141.0° | 145.0° |
| F2 | C18 | C16 | H3 | 5.4° | 0.1° |
| F2 | C18 | C17 | H20 | 1.3° | 0.0° |
| F2 | C18 | C17 | H21 | 142.1° | 145.0° |
| C18 | C16 | C15 | H3 | 146.1° | 145.6° |
| C18 | C16 | C15 | N7 | 131.3° | 180.0° |
| C16 | C15 | N7 | C10 | 168.9° | 180.0° |
| C16 | C15 | N7 | C13 | 30.2° | 0.0° |
| C15 | C16 | C17 | H20 | 144.1° | 145.1° |
| C15 | C16 | C17 | H21 | 3.3° | 0.0° |
| C15 | N7 | C10 | C13 | 146.0° | 180.0° |
| C15 | N7 | C10 | C11 | 104.8° | 137.1° |
| C15 | N7 | C10 | C9 | 138.2° | 109.1° |
| C15 | N7 | C13 | C12 | 103.5° | 137.1° |
| C15 | N7 | C13 | C14 | 140.6° | 109.0° |
| C15 | N7 | C13 | H2 | 18.1° | 14.6° |
| N7 | C15 | C16 | H3 | 14.8° | 34.4° |
| C15 | N7 | C10 | H1 | 16.2° | 14.6° |
| C1 | N1 | N2 | C2 | 179.4° | 180.0° |
| C1 | N1 | N2 | C4 | 179.6° | 180.0° |
| C1 | N1 | C2 | C3 | 179.3° | 180.0° |
| N1 | C1 | H4 | H5 | 120.0° | 120.0° |
| N1 | C1 | H4 | H6 | 120.0° | 120.0° |
| N1 | C1 | H5 | H6 | 120.0° | 120.0° |
| C1 | N1 | C2 | H7 | 0.7° | 0.0° |
| N7 | C10 | C11 | C9 | 113.2° | 113.3° |
| N7 | C10 | C11 | H1 | 121.7° | 122.2° |
| N7 | C10 | C9 | H1 | 122.5° | 123.8° |
| N7 | C10 | C11 | C12 | 25.2° | 25.9° |
| N7 | C10 | C9 | N6 | 59.6° | 63.5° |
| C10 | N7 | C13 | C12 | 41.1° | 42.8° |
| C10 | N7 | C13 | C14 | 74.8° | 71.0° |
| N7 | C10 | C9 | H13 | 179.5° | 56.4° |
| N7 | C10 | C9 | H12 | 60.4° | 176.6° |
| C10 | N7 | C13 | H2 | 162.7° | 165.4° |
| N7 | C10 | C11 | H15 | 94.1° | 92.9° |
| N7 | C10 | C11 | H14 | 144.4° | 144.7° |
| C11 | C10 | C9 | H1 | 125.2° | 124.9° |
| C11 | C10 | N7 | C13 | 41.2° | 42.8° |
| C10 | C11 | C12 | H15 | 119.3° | 118.8° |
| C10 | C11 | C12 | H14 | 119.3° | 118.7° |
| C11 | C10 | C9 | N6 | 52.8° | 47.7° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C11 | C10 | C9 | H13 | 67.2° | 167.7° |
| C11 | C10 | C9 | H12 | 172.7° | 72.2° |
| C10 | C11 | H15 | H14 | 122.1° | 122.3° |
| C10 | C11 | C12 | H17 | 119.6° | 118.8° |
| C10 | C11 | C12 | H16 | 118.9° | 118.8° |
| C9 | C10 | N7 | C13 | 75.8° | 70.9° |
| C9 | C10 | C11 | C12 | 88.0° | 87.4° |
| C10 | C9 | N6 | H13 | 120.0° | 119.9° |
| C10 | C9 | N6 | H12 | 120.0° | 119.9° |
| C10 | C9 | N6 | C14 | 45.9° | 55.2° |
| C10 | C9 | N6 | C8 | 155.5° | 179.6° |
| C10 | C9 | H13 | H12 | 120.1° | 120.3° |
| C9 | C10 | C11 | H15 | 152.7° | 153.8° |
| C9 | C10 | C11 | H14 | 31.3° | 31.4° |
| N7 | C13 | C12 | C11 | 24.7° | 25.9° |
| N7 | C13 | C12 | C14 | 113.2° | 113.3° |
| N7 | C13 | C12 | H2 | 122.3° | 122.2° |
| N7 | C13 | C14 | H2 | 123.1° | 123.7° |
| N7 | C13 | C14 | N6 | 58.0° | 63.6° |
| C13 | N7 | C10 | H1 | 162.3° | 165.4° |
| N7 | C13 | C12 | H17 | 94.5° | 144.7° |
| N7 | C13 | C12 | H16 | 143.9° | 92.9° |
| N7 | C13 | C14 | H19 | 62.0° | 57.0° |
| N7 | C13 | C14 | H18 | 178.1° | 177.3° |
| C11 | C12 | C13 | H17 | 119.3° | 118.8° |
| C11 | C12 | C13 | H16 | 119.2° | 118.8° |
| C11 | C12 | C13 | C14 | 88.5° | 87.4° |
| C11 | C12 | C13 | H2 | 147.0° | 148.0° |
| C12 | C11 | C10 | H1 | 146.8° | 148.1° |
| C12 | C11 | H15 | H14 | 122.1° | 122.4° |
| C11 | C12 | H17 | H16 | 122.2° | 122.4° |
| N2 | N1 | C2 | C3 | 0.1° | 0.0° |
| N1 | N2 | C4 | C3 | 0.4° | 0.0° |
| N1 | N2 | C4 | H8 | 179.6° | 179.7° |
| N2 | N1 | C1 | H4 | 0.0° | 90.0° |
| N2 | N1 | C1 | H5 | 120.0° | 150.0° |
| N2 | N1 | C1 | H6 | 120.0° | 30.0° |
| N2 | N1 | C2 | H7 | 179.9° | 180.0° |
| C2 | N1 | N2 | C4 | 0.1° | 0.0° |
| N1 | C2 | C3 | H7 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 0.3° | 0.0° |
| N1 | C2 | C3 | N3 | 178.6° | 179.7° |
| C2 | N1 | C1 | H4 | 179.3° | 90.0° |
| C2 | N1 | C1 | H5 | 59.3° | 30.0° |
| C2 | N1 | C1 | H6 | 60.6° | 149.9° |
| C9 | N6 | C14 | C13 | 45.1° | 55.2° |
| C9 | N6 | C14 | C8 | 158.9° | 124.4° |
| C9 | N6 | C8 | N5 | 8.9° | 0.1° |
| C9 | N6 | C8 | C7 | 175.0° | 180.0° |
| N6 | C9 | H13 | H12 | 120.1° | 120.2° |
| N6 | C9 | C10 | H1 | 177.9° | 172.7° |
| C9 | N6 | C14 | H19 | 74.9° | 65.0° |
| C9 | N6 | C14 | H18 | 165.1° | 174.7° |
| C12 | C13 | C14 | H2 | 124.5° | 125.0° |
| C12 | C13 | C14 | N6 | 54.4° | 47.8° |
| C13 | C12 | C11 | H15 | 118.9° | 118.8° |
| C13 | C12 | C11 | H14 | 119.6° | 118.8° |
| C13 | C12 | H17 | H16 | 122.2° | 122.4° |
| C12 | C13 | C14 | H19 | 174.4° | 168.3° |
| C12 | C13 | C14 | H18 | 65.6° | 71.3° |
| C13 | C14 | N6 | H19 | 120.0° | 120.2° |
| C13 | C14 | N6 | H18 | 120.0° | 119.5° |
| C13 | C14 | N6 | C8 | 156.1° | 179.6° |
| C14 | C13 | C12 | H17 | 152.2° | 31.4° |
| C14 | C13 | C12 | H16 | 30.7° | 153.8° |
| C13 | C14 | H19 | H18 | 119.9° | 120.3° |
| N2 | C4 | C3 | C2 | 0.5° | 0.0° |
| N2 | C4 | C3 | H8 | 180.0° | 179.7° |
| N2 | C4 | C3 | N3 | 178.6° | 179.8° |
| C2 | C3 | C4 | N3 | 179.1° | 179.8° |
| C2 | C3 | N3 | C5 | 2.1° | 179.8° |
| C2 | C3 | N3 | H9 | 177.9° | 0.6° |
| C2 | C3 | C4 | H8 | 179.5° | 179.7° |
| C14 | N6 | C8 | N5 | 167.1° | 124.8° |
| C14 | N6 | C8 | C7 | 16.8° | 55.3° |
| C14 | N6 | C9 | H13 | 165.9° | 64.7° |
| C14 | N6 | C9 | H12 | 74.1° | 175.2° |
| N6 | C14 | C13 | H2 | 178.8° | 172.7° |
| N6 | C14 | H19 | H18 | 119.9° | 119.9° |
| N6 | C8 | N5 | C7 | 176.1° | 179.8° |
| N6 | C8 | N5 | C5 | 171.4° | 179.9° |
| N6 | C8 | C7 | C6 | 172.5° | 179.9° |
| N6 | C8 | C7 | H11 | 7.5° | 0.1° |
| C8 | N6 | C9 | H13 | 35.5° | 59.7° |
| C8 | N6 | C9 | H12 | 84.6° | 60.5° |
| C8 | N6 | C14 | H19 | 83.9° | 59.4° |
| C8 | N6 | C14 | H18 | 36.1° | 60.9° |
| C4 | C3 | N3 | C5 | 179.1° | 0.0° |
| C4 | C3 | N3 | H9 | 0.9° | 179.7° |
| C4 | C3 | C2 | H7 | 179.7° | 180.0° |
| C3 | N3 | C5 | N5 | 2.8° | 179.7° |
| C3 | N3 | C5 | H9 | 180.0° | 179.7° |
| C3 | N3 | C5 | N4 | 177.4° | 0.1° |
| N3 | C3 | C4 | H8 | 1.4° | 0.0° |
| N3 | C3 | C2 | H7 | 1.4° | 0.2° |
| C8 | N5 | C5 | N3 | 176.6° | 180.0° |
| C8 | N5 | C5 | N4 | 3.6° | 0.2° |
| N5 | C8 | C7 | C6 | 3.3° | 0.1° |
| N5 | C8 | C7 | H11 | 176.7° | 179.7° |
| C5 | N5 | C8 | C7 | 4.7° | 0.1° |
| N5 | C5 | N3 | N4 | 179.8° | 179.8° |
| N5 | C5 | N4 | C6 | 0.9° | 0.6° |
| N5 | C5 | N3 | H9 | 177.2° | 0.1° |
| C8 | C7 | C6 | H11 | 180.0° | 179.8° |
| C8 | C7 | C6 | N4 | 0.4° | 0.3° |
| C8 | C7 | C6 | H10 | 179.6° | 179.8° |
| N3 | C5 | N4 | C6 | 179.3° | 179.7° |
| C5 | N4 | C6 | C7 | 0.8° | 0.6° |
| N4 | C5 | N3 | H9 | 2.6° | 179.7° |
| C5 | N4 | C6 | H10 | 179.2° | 179.5° |
| C7 | C6 | N4 | H10 | 180.0° | 179.9° |
| N4 | C6 | C7 | H11 | 179.7° | 179.9° |
| H11 | C7 | C6 | H10 | 0.4° | 0.0° |
| H13 | C9 | C10 | H1 | 57.9° | 67.4° |
| H12 | C9 | C10 | H1 | 62.2° | 52.8° |
| H2 | C13 | C12 | H17 | 27.8° | 93.1° |
| H2 | C13 | C12 | H16 | 93.7° | 29.3° |
| H2 | C13 | C14 | H19 | 61.2° | 66.8° |
| H2 | C13 | C14 | H18 | 58.8° | 53.6° |
| H3 | C16 | C17 | H20 | 2.9° | 0.0° |
| H3 | C16 | C17 | H21 | 143.7° | 145.0° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H1 | C10 | C11 | H15 | 27.5° | 29.3° |
| H1 | C10 | C11 | H14 | 93.9° | 93.1° |
| H15 | C11 | C12 | H17 | 0.3° | 122.4° |
| H15 | C11 | C12 | H16 | 121.8° | 0.0° |
| H14 | C11 | C12 | H17 | 121.1° | 0.1° |
| H14 | C11 | C12 | H16 | 0.4° | 122.5° |
