ZG7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C02 | sing | 1.74Å | 1.78Å | |
| C02 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C08 | sing | 1.51Å | 1.54Å | |
| N30 | C29 | trip | 1.14Å | 1.13Å | |
| C29 | C28 | sing | 1.43Å | 1.53Å | |
| C28 | C14 | doub | 1.41Å | 1.40Å | Aromatic |
| C28 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| N15 | C14 | sing | 1.33Å | 1.52Å | Aromatic |
| N15 | C16 | doub | 1.32Å | 1.44Å | Aromatic |
| C14 | N13 | sing | 1.37Å | 1.38Å | Aromatic |
| C08 | C11 | sing | 1.51Å | 1.53Å | |
| C08 | C10 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C11 | N12 | doub | 1.31Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.46Å | Aromatic |
| N13 | N12 | sing | 1.40Å | 1.38Å | Aromatic |
| N13 | C26 | sing | 1.37Å | 1.47Å | Aromatic |
| C17 | C26 | doub | 1.38Å | 1.46Å | Aromatic |
| C17 | O18 | sing | 1.36Å | 1.40Å | |
| C26 | O27 | sing | 1.35Å | 1.19Å | |
| O18 | C19 | sing | 1.36Å | 1.40Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | BR22 | sing | 1.89Å | 1.94Å | |
| C21 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| O27 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | C07 | 118.9° | 120.0° |
| CL01 | C02 | C03 | 120.4° | 120.0° |
| C07 | C02 | C03 | 120.7° | 120.0° |
| C02 | C07 | C06 | 119.2° | 120.0° |
| C02 | C07 | H8 | 120.4° | 120.0° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C02 | C03 | H5 | 120.0° | 120.0° |
| C07 | C06 | C05 | 120.3° | 120.0° |
| C07 | C06 | H7 | 119.9° | 120.0° |
| C06 | C07 | H8 | 120.4° | 120.0° |
| C03 | C04 | C05 | 119.6° | 120.0° |
| C04 | C03 | H5 | 120.1° | 120.0° |
| C03 | C04 | H6 | 120.2° | 120.0° |
| C06 | C05 | C04 | 120.2° | 120.0° |
| C06 | C05 | C08 | 118.8° | 120.0° |
| C05 | C06 | H7 | 119.8° | 120.0° |
| C04 | C05 | C08 | 120.7° | 120.0° |
| C05 | C04 | H6 | 120.2° | 119.9° |
| C05 | C08 | C11 | 95.6° | 115.6° |
| C05 | C08 | C10 | 123.2° | 117.5° |
| C05 | C08 | C09 | 121.6° | 117.5° |
| N30 | C29 | C28 | 179.2° | 180.0° |
| C29 | C28 | C14 | 129.7° | 126.5° |
| C29 | C28 | C11 | 123.1° | 126.5° |
| C14 | C28 | C11 | 107.1° | 106.9° |
| C28 | C14 | N15 | 135.5° | 132.3° |
| C28 | C14 | N13 | 106.3° | 106.7° |
| C28 | C11 | C08 | 128.7° | 125.6° |
| C28 | C11 | N12 | 108.1° | 108.8° |
| C14 | N15 | C16 | 120.5° | 121.2° |
| N15 | C14 | N13 | 118.2° | 121.0° |
| N15 | C16 | C17 | 120.1° | 120.1° |
| N15 | C16 | H11 | 120.0° | 119.9° |
| C14 | N13 | N12 | 111.0° | 108.2° |
| C14 | N13 | C26 | 122.2° | 119.7° |
| C11 | C08 | C10 | 119.0° | 117.5° |
| C11 | C08 | C09 | 137.0° | 117.5° |
| C08 | C11 | N12 | 123.2° | 125.6° |
| C10 | C08 | C09 | 59.9° | 60.0° |
| C08 | C10 | C09 | 60.4° | 60.0° |
| C08 | C10 | H1 | 119.9° | 117.5° |
| C08 | C10 | H2 | 119.9° | 117.5° |
| C08 | C09 | C10 | 59.6° | 60.0° |
| C08 | C09 | H9 | 120.0° | 117.5° |
| C08 | C09 | H10 | 120.1° | 117.5° |
| C11 | N12 | N13 | 107.4° | 109.5° |
| C16 | C17 | C26 | 118.8° | 119.1° |
| C16 | C17 | O18 | 119.7° | 120.4° |
| C17 | C16 | H11 | 119.9° | 120.0° |
| N12 | N13 | C26 | 126.8° | 132.1° |
| N13 | C26 | C17 | 120.2° | 118.9° |
| N13 | C26 | O27 | 117.3° | 120.6° |
| C26 | C17 | O18 | 121.5° | 120.5° |
| C17 | C26 | O27 | 122.5° | 120.5° |
| C17 | O18 | C19 | 113.9° | 118.0° |
| C26 | O27 | H14 | 109.5° | 114.0° |
| O18 | C19 | C20 | 121.1° | 120.0° |
| O18 | C19 | C25 | 117.8° | 120.1° |
| C09 | C10 | H1 | 119.9° | 117.6° |
| C09 | C10 | H2 | 119.9° | 117.5° |
| C10 | C09 | H9 | 120.1° | 117.5° |
| C10 | C09 | H10 | 120.1° | 117.5° |
| C20 | C19 | C25 | 121.1° | 119.9° |
| C19 | C20 | C21 | 118.6° | 119.9° |
| C19 | C20 | H3 | 120.7° | 120.0° |
| C19 | C25 | C24 | 120.3° | 120.0° |
| C19 | C25 | H13 | 119.9° | 120.0° |
| C20 | C21 | BR22 | 121.1° | 120.0° |
| C20 | C21 | C23 | 120.6° | 120.0° |
| C21 | C20 | H3 | 120.7° | 120.1° |
| C25 | C24 | C23 | 119.2° | 120.1° |
| C25 | C24 | H4 | 120.4° | 120.0° |
| C24 | C25 | H13 | 119.9° | 120.0° |
| BR22 | C21 | C23 | 118.3° | 120.0° |
| C21 | C23 | C24 | 120.3° | 120.1° |
| C21 | C23 | H12 | 119.9° | 119.9° |
| C23 | C24 | H4 | 120.4° | 120.0° |
| C24 | C23 | H12 | 119.8° | 120.0° |
| H1 | C10 | H2 | 109.5° | 115.5° |
| H9 | C09 | H10 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | C07 | C03 | 179.8° | 179.8° |
| CL01 | C02 | C07 | C06 | 179.8° | 179.8° |
| CL01 | C02 | C03 | C04 | 179.8° | 179.7° |
| CL01 | C02 | C03 | H5 | 0.2° | 0.3° |
| CL01 | C02 | C07 | H8 | 0.1° | 0.3° |
| C02 | C07 | C06 | H8 | 180.0° | 180.0° |
| C07 | C02 | C03 | C04 | 0.4° | 0.0° |
| C02 | C07 | C06 | C05 | 2.1° | 0.0° |
| C07 | C02 | C03 | H5 | 179.6° | 180.0° |
| C02 | C07 | C06 | H7 | 177.9° | 180.0° |
| C03 | C02 | C07 | C06 | 0.0° | 0.0° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 2.9° | 0.0° |
| C02 | C03 | C04 | H6 | 177.1° | 180.0° |
| C03 | C02 | C07 | H8 | 179.9° | 179.9° |
| C07 | C06 | C05 | H7 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 4.6° | 0.1° |
| C07 | C06 | C05 | C08 | 177.2° | 180.0° |
| C03 | C04 | C05 | C06 | 5.0° | 0.1° |
| C03 | C04 | C05 | H6 | 180.0° | 180.0° |
| C03 | C04 | C05 | C08 | 177.4° | 180.0° |
| C06 | C05 | C04 | C08 | 172.5° | 179.9° |
| C06 | C05 | C08 | C11 | 112.9° | 150.3° |
| C06 | C05 | C08 | C10 | 17.3° | 4.6° |
| C06 | C05 | C08 | C09 | 89.8° | 64.0° |
| C06 | C05 | C04 | H6 | 175.0° | 179.9° |
| C05 | C06 | C07 | H8 | 177.8° | 180.0° |
| C04 | C05 | C08 | C11 | 74.5° | 29.7° |
| C04 | C05 | C08 | C10 | 155.3° | 175.4° |
| C04 | C05 | C08 | C09 | 82.8° | 116.0° |
| C05 | C04 | C03 | H5 | 177.1° | 180.0° |
| C04 | C05 | C06 | H7 | 175.4° | 179.9° |
| C05 | C08 | C11 | C28 | 77.7° | 65.3° |
| C05 | C08 | C11 | C10 | 133.0° | 145.7° |
| C05 | C08 | C11 | C09 | 151.2° | 145.7° |
| C05 | C08 | C10 | C09 | 110.2° | 107.5° |
| C05 | C08 | C11 | N12 | 99.8° | 114.7° |
| C05 | C08 | C10 | H1 | 0.6° | 0.1° |
| C05 | C08 | C10 | H2 | 140.2° | 145.0° |
| C08 | C05 | C04 | H6 | 2.6° | 0.0° |
| C08 | C05 | C06 | H7 | 2.8° | 0.0° |
| C05 | C08 | C09 | H9 | 137.9° | 0.0° |
| C05 | C08 | C09 | H10 | 3.3° | 145.0° |
| N30 | C29 | C28 | C14 | 167.3° | 157.9° |
| N30 | C29 | C28 | C11 | 16.2° | 22.1° |
| C29 | C28 | C14 | C11 | 177.0° | 180.0° |
| C29 | C28 | C14 | N15 | 2.7° | 0.0° |
| C29 | C28 | C14 | N13 | 178.1° | 180.0° |
| C29 | C28 | C11 | C08 | 3.0° | 0.0° |
| C29 | C28 | C11 | N12 | 179.3° | 180.0° |
| C28 | C14 | N15 | N13 | 179.0° | 180.0° |
| C28 | C14 | N15 | C16 | 178.8° | 180.0° |
| C14 | C28 | C11 | C08 | 179.8° | 180.0° |
| C14 | C28 | C11 | N12 | 2.1° | 0.0° |
| C28 | C14 | N13 | N12 | 0.1° | 0.0° |
| C28 | C14 | N13 | C26 | 178.6° | 180.0° |
| C11 | C28 | C14 | N15 | 179.7° | 180.0° |
| C11 | C28 | C14 | N13 | 1.2° | 0.0° |
| C28 | C11 | C08 | N12 | 177.4° | 180.0° |
| C28 | C11 | C08 | C10 | 55.4° | 80.4° |
| C28 | C11 | C08 | C09 | 131.1° | 149.0° |
| C28 | C11 | N12 | N13 | 2.1° | 0.0° |
| C14 | N15 | C16 | C17 | 0.8° | 0.0° |
| N15 | C14 | N13 | N12 | 179.2° | 180.0° |
| N15 | C14 | N13 | C26 | 0.7° | 0.0° |
| C14 | N15 | C16 | H11 | 179.2° | 179.9° |
| C16 | N15 | C14 | N13 | 0.3° | 0.0° |
| N15 | C16 | C17 | H11 | 180.0° | 179.9° |
| N15 | C16 | C17 | C26 | 1.4° | 0.1° |
| N15 | C16 | C17 | O18 | 178.9° | 180.0° |
| C14 | N13 | N12 | C11 | 1.4° | 0.0° |
| C14 | N13 | N12 | C26 | 178.4° | 180.0° |
| C14 | N13 | C26 | C17 | 0.1° | 0.0° |
| C14 | N13 | C26 | O27 | 178.7° | 180.0° |
| C11 | C08 | C10 | C09 | 130.2° | 107.5° |
| C08 | C11 | N12 | N13 | 180.0° | 180.0° |
| C11 | C08 | C10 | H1 | 120.2° | 144.9° |
| C11 | C08 | C10 | H2 | 20.6° | 0.0° |
| C11 | C08 | C09 | H9 | 7.8° | 145.1° |
| C11 | C08 | C09 | H10 | 149.1° | 0.0° |
| C10 | C08 | C11 | N12 | 127.2° | 99.6° |
| C08 | C10 | C09 | H1 | 109.6° | 107.5° |
| C08 | C10 | C09 | H2 | 109.6° | 107.5° |
| C08 | C10 | H1 | H2 | 144.5° | 145.6° |
| C10 | C08 | C09 | H9 | 109.4° | 107.5° |
| C10 | C08 | C09 | H10 | 109.4° | 107.5° |
| C09 | C08 | C11 | N12 | 51.4° | 31.0° |
| C08 | C09 | H9 | H10 | 144.9° | 145.8° |
| C11 | N12 | N13 | C26 | 179.8° | 180.0° |
| C16 | C17 | C26 | N13 | 0.9° | 0.1° |
| C16 | C17 | C26 | O18 | 179.7° | 179.9° |
| C16 | C17 | C26 | O27 | 179.7° | 180.0° |
| C16 | C17 | O18 | C19 | 123.5° | 66.4° |
| N12 | N13 | C26 | C17 | 178.3° | 179.9° |
| N12 | N13 | C26 | O27 | 0.5° | 0.0° |
| N13 | C26 | C17 | O27 | 178.7° | 180.0° |
| N13 | C26 | C17 | O18 | 179.4° | 180.0° |
| N13 | C26 | O27 | H14 | 180.0° | 175.0° |
| C26 | C17 | O18 | C19 | 56.2° | 113.5° |
| C26 | C17 | C16 | H11 | 178.6° | 180.0° |
| C17 | C26 | O27 | H14 | 1.2° | 5.0° |
| O18 | C17 | C26 | O27 | 0.6° | 0.0° |
| C17 | O18 | C19 | C20 | 111.4° | 174.5° |
| C17 | O18 | C19 | C25 | 70.7° | 5.4° |
| O18 | C17 | C16 | H11 | 1.1° | 0.1° |
| O18 | C19 | C20 | C25 | 177.8° | 180.0° |
| O18 | C19 | C20 | C21 | 179.2° | 180.0° |
| O18 | C19 | C25 | C24 | 179.5° | 179.5° |
| O18 | C19 | C20 | H3 | 0.8° | 0.2° |
| O18 | C19 | C25 | H13 | 0.5° | 0.0° |
| C09 | C10 | H1 | H2 | 144.5° | 145.7° |
| C10 | C09 | H9 | H10 | 145.0° | 145.6° |
| C19 | C20 | C21 | H3 | 180.0° | 179.7° |
| C20 | C19 | C25 | C24 | 1.6° | 0.5° |
| C19 | C20 | C21 | BR22 | 180.0° | 179.8° |
| C19 | C20 | C21 | C23 | 0.7° | 0.3° |
| C20 | C19 | C25 | H13 | 178.4° | 180.0° |
| C25 | C19 | C20 | C21 | 1.4° | 0.0° |
| C19 | C25 | C24 | H13 | 180.0° | 179.5° |
| C19 | C25 | C24 | C23 | 1.1° | 0.8° |
| C25 | C19 | C20 | H3 | 178.6° | 179.7° |
| C19 | C25 | C24 | H4 | 178.9° | 179.7° |
| C20 | C21 | BR22 | C23 | 179.4° | 179.9° |
| C20 | C21 | C23 | C24 | 0.2° | 0.1° |
| C20 | C21 | C23 | H12 | 179.8° | 180.0° |
| C25 | C24 | C23 | C21 | 0.4° | 0.5° |
| C25 | C24 | C23 | H4 | 180.0° | 179.5° |
| C25 | C24 | C23 | H12 | 179.6° | 179.5° |
| BR22 | C21 | C23 | C24 | 179.6° | 180.0° |
| BR22 | C21 | C20 | H3 | 0.0° | 0.1° |
| BR22 | C21 | C23 | H12 | 0.5° | 0.1° |
| C21 | C23 | C24 | H12 | 180.0° | 180.0° |
| C23 | C21 | C20 | H3 | 179.3° | 180.0° |
| C21 | C23 | C24 | H4 | 179.6° | 180.0° |
| C23 | C24 | C25 | H13 | 178.9° | 179.8° |
| H1 | C10 | C09 | H9 | 141.1° | 0.1° |
| H1 | C10 | C09 | H10 | 0.2° | 145.0° |
| H2 | C10 | C09 | H9 | 0.2° | 145.0° |
| H2 | C10 | C09 | H10 | 141.0° | 0.1° |
| H4 | C24 | C23 | H12 | 0.4° | 0.0° |
| H4 | C24 | C25 | H13 | 1.1° | 0.2° |
| H5 | C03 | C04 | H6 | 2.9° | 0.0° |
| H7 | C06 | C07 | H8 | 2.2° | 0.0° |
