7GX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C5 | sing | 1.36Å | 1.37Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.49Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O19 | C18 | doub | 1.22Å | 1.18Å | |
| C12 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.47Å | 1.45Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | N25 | doub | 1.32Å | 1.32Å | Aromatic |
| C26 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.47Å | 1.48Å | |
| C18 | N20 | sing | 1.35Å | 1.32Å | |
| N25 | C24 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | N15 | sing | 1.37Å | 1.35Å | Aromatic |
| C17 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| N20 | C21 | sing | 1.40Å | 1.41Å | |
| C21 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C24 | C27 | sing | 1.51Å | 1.50Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| N15 | N16 | sing | 1.28Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| N20 | H14 | sing | 0.97Å | 1.00Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| O28 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C5 | C6 | 121.4° | 120.0° |
| O28 | C5 | C4 | 119.0° | 119.9° |
| C5 | O28 | H20 | 109.5° | 114.0° |
| C5 | C6 | C7 | 119.8° | 120.1° |
| C6 | C5 | C4 | 119.6° | 120.1° |
| C5 | C6 | H3 | 120.1° | 119.9° |
| C6 | C7 | C8 | 121.2° | 120.0° |
| C6 | C7 | H2 | 119.4° | 120.0° |
| C7 | C6 | H3 | 120.1° | 120.0° |
| C5 | C4 | C3 | 121.1° | 120.1° |
| C5 | C4 | H1 | 119.5° | 120.0° |
| C7 | C8 | C3 | 118.9° | 119.8° |
| C7 | C8 | C9 | 119.1° | 120.1° |
| C8 | C7 | H2 | 119.4° | 120.0° |
| C4 | C3 | C8 | 119.5° | 119.9° |
| C4 | C3 | C2 | 119.8° | 120.1° |
| C3 | C4 | H1 | 119.5° | 119.9° |
| C11 | C10 | C9 | 121.8° | 120.4° |
| C10 | C11 | C12 | 120.7° | 119.9° |
| C11 | C10 | H10 | 119.1° | 119.8° |
| C10 | C11 | H11 | 119.7° | 120.1° |
| C10 | C9 | C8 | 120.4° | 119.8° |
| C10 | C9 | C14 | 118.4° | 120.5° |
| C9 | C10 | H10 | 119.2° | 119.8° |
| C3 | C8 | C9 | 121.4° | 120.1° |
| C8 | C3 | C2 | 120.7° | 120.0° |
| C8 | C9 | C14 | 121.2° | 119.8° |
| C3 | C2 | C1 | 110.8° | 109.5° |
| C3 | C2 | H8 | 109.1° | 109.5° |
| C3 | C2 | H9 | 109.1° | 109.5° |
| C11 | C12 | C13 | 118.1° | 120.3° |
| C11 | C12 | C17 | 135.6° | 135.3° |
| C12 | C11 | H11 | 119.6° | 120.1° |
| C9 | C14 | C13 | 119.5° | 119.6° |
| C9 | C14 | H12 | 120.2° | 120.2° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.2° | 109.5° |
| C1 | C2 | H9 | 109.1° | 109.5° |
| O19 | C18 | C17 | 119.9° | 120.1° |
| O19 | C18 | N20 | 121.4° | 120.0° |
| C13 | C12 | C17 | 106.3° | 104.3° |
| C12 | C13 | C14 | 121.5° | 119.4° |
| C12 | C13 | N15 | 106.1° | 106.1° |
| C12 | C17 | C18 | 123.1° | 126.8° |
| C12 | C17 | N16 | 106.7° | 106.4° |
| C14 | C13 | N15 | 132.5° | 134.5° |
| C13 | C14 | H12 | 120.3° | 120.2° |
| N25 | C26 | C21 | 124.2° | 120.7° |
| C26 | N25 | C24 | 118.6° | 121.7° |
| N25 | C26 | H4 | 117.9° | 119.7° |
| C26 | C21 | N20 | 124.6° | 120.5° |
| C26 | C21 | C22 | 116.7° | 119.0° |
| C21 | C26 | H4 | 117.9° | 119.7° |
| C17 | C18 | N20 | 117.8° | 120.0° |
| C18 | C17 | N16 | 129.9° | 126.8° |
| C18 | N20 | C21 | 128.5° | 120.0° |
| C18 | N20 | H14 | 115.7° | 120.0° |
| N25 | C24 | C27 | 116.7° | 119.5° |
| N25 | C24 | C23 | 121.3° | 120.9° |
| C13 | N15 | N16 | 111.8° | 111.2° |
| C13 | N15 | H13 | 124.1° | 124.4° |
| C17 | N16 | N15 | 109.1° | 112.0° |
| N20 | C21 | C22 | 118.6° | 120.5° |
| C21 | N20 | H14 | 115.8° | 120.0° |
| C21 | C22 | C23 | 120.1° | 118.3° |
| C21 | C22 | H15 | 120.0° | 120.8° |
| C27 | C24 | C23 | 121.8° | 119.5° |
| C24 | C27 | H17 | 109.5° | 109.4° |
| C24 | C27 | H18 | 109.5° | 109.4° |
| C24 | C27 | H19 | 109.5° | 109.4° |
| C24 | C23 | C22 | 119.0° | 119.2° |
| C24 | C23 | H16 | 120.5° | 120.4° |
| N16 | N15 | H13 | 124.1° | 124.4° |
| C23 | C22 | H15 | 120.0° | 120.8° |
| C22 | C23 | H16 | 120.5° | 120.4° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H8 | C2 | H9 | 109.4° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.5° |
| H17 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C5 | C6 | C4 | 179.6° | 180.0° |
| O28 | C5 | C6 | C7 | 179.3° | 180.0° |
| O28 | C5 | C4 | C3 | 179.3° | 180.0° |
| O28 | C5 | C4 | H1 | 0.7° | 0.2° |
| O28 | C5 | C6 | H3 | 0.6° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.4° | 0.3° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | H1 | 179.6° | 179.8° |
| C5 | C6 | C7 | H2 | 178.6° | 179.8° |
| C6 | C5 | O28 | H20 | 180.0° | 90.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | C7 | C8 | H2 | 180.0° | 179.5° |
| C6 | C7 | C8 | C3 | 2.5° | 0.5° |
| C6 | C7 | C8 | C9 | 168.8° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C8 | 1.5° | 0.2° |
| C5 | C4 | C3 | C2 | 178.0° | 179.8° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| C4 | C5 | O28 | H20 | 0.4° | 89.9° |
| C7 | C8 | C3 | C4 | 2.5° | 0.5° |
| C7 | C8 | C9 | C10 | 105.6° | 122.4° |
| C7 | C8 | C3 | C9 | 171.1° | 179.5° |
| C7 | C8 | C3 | C2 | 177.0° | 179.5° |
| C7 | C8 | C9 | C14 | 73.1° | 57.3° |
| C8 | C7 | C6 | H3 | 178.7° | 179.7° |
| C4 | C3 | C8 | C2 | 179.5° | 180.0° |
| C4 | C3 | C8 | C9 | 168.6° | 180.0° |
| C4 | C3 | C2 | C1 | 119.4° | 93.0° |
| C4 | C3 | C2 | H8 | 120.4° | 147.0° |
| C4 | C3 | C2 | H9 | 0.8° | 27.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 176.3° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 2.4° | 0.0° |
| C10 | C11 | C12 | C13 | 2.0° | 0.1° |
| C10 | C11 | C12 | C17 | 177.5° | 180.0° |
| C10 | C9 | C8 | C3 | 65.4° | 57.1° |
| C10 | C9 | C8 | C14 | 178.7° | 179.7° |
| C9 | C10 | C11 | C12 | 0.2° | 0.1° |
| C10 | C9 | C14 | C13 | 3.2° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 179.9° |
| C10 | C9 | C14 | H12 | 176.8° | 179.7° |
| C3 | C8 | C9 | C14 | 115.9° | 123.2° |
| C8 | C3 | C2 | C1 | 60.1° | 87.0° |
| C8 | C3 | C4 | H1 | 178.5° | 180.0° |
| C3 | C8 | C7 | H2 | 177.5° | 180.0° |
| C8 | C3 | C2 | H8 | 60.2° | 33.0° |
| C8 | C3 | C2 | H9 | 179.7° | 153.0° |
| C9 | C8 | C3 | C2 | 12.0° | 0.0° |
| C8 | C9 | C14 | C13 | 175.5° | 179.7° |
| C9 | C8 | C7 | H2 | 11.2° | 0.4° |
| C8 | C9 | C10 | H10 | 3.7° | 0.3° |
| C8 | C9 | C14 | H12 | 4.5° | 0.0° |
| C3 | C2 | C1 | H8 | 120.2° | 120.0° |
| C3 | C2 | C1 | H9 | 120.2° | 120.0° |
| C2 | C3 | C4 | H1 | 2.0° | 0.0° |
| C3 | C2 | C1 | H5 | 180.0° | 55.0° |
| C3 | C2 | C1 | H6 | 60.0° | 175.0° |
| C3 | C2 | C1 | H7 | 60.0° | 65.0° |
| C3 | C2 | H8 | H9 | 119.4° | 120.0° |
| C11 | C12 | C13 | C17 | 179.6° | 180.0° |
| C11 | C12 | C13 | C14 | 1.1° | 0.1° |
| C11 | C12 | C17 | C18 | 5.1° | 0.0° |
| C11 | C12 | C13 | N15 | 179.0° | 180.0° |
| C11 | C12 | C17 | N16 | 179.0° | 180.0° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C9 | C14 | C13 | C12 | 1.5° | 0.0° |
| C9 | C14 | C13 | H12 | 180.0° | 179.7° |
| C9 | C14 | C13 | N15 | 178.4° | 180.0° |
| C14 | C9 | C10 | H10 | 177.6° | 180.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | H8 | H9 | 119.4° | 120.0° |
| O19 | C18 | C17 | C12 | 15.9° | 0.0° |
| O19 | C18 | C17 | N20 | 169.0° | 179.9° |
| O19 | C18 | C17 | N16 | 156.4° | 179.9° |
| O19 | C18 | N20 | C21 | 0.0° | 5.1° |
| O19 | C18 | N20 | H14 | 180.0° | 174.9° |
| C12 | C13 | C14 | N15 | 179.9° | 179.9° |
| C13 | C12 | C17 | C18 | 175.3° | 180.0° |
| C13 | C12 | C17 | N16 | 1.5° | 0.0° |
| C12 | C13 | N15 | N16 | 0.8° | 0.0° |
| C13 | C12 | C11 | H11 | 178.1° | 180.0° |
| C12 | C13 | C14 | H12 | 178.5° | 179.8° |
| C12 | C13 | N15 | H13 | 179.2° | 180.0° |
| C17 | C12 | C13 | C14 | 178.5° | 180.0° |
| C12 | C17 | C18 | N16 | 172.3° | 180.0° |
| C12 | C17 | C18 | N20 | 175.1° | 180.0° |
| C17 | C12 | C13 | N15 | 1.4° | 0.0° |
| C12 | C17 | N16 | N15 | 1.0° | 0.0° |
| C17 | C12 | C11 | H11 | 2.4° | 0.1° |
| C14 | C13 | N15 | N16 | 179.1° | 180.0° |
| C14 | C13 | N15 | H13 | 0.9° | 0.1° |
| N25 | C26 | C21 | H4 | 180.0° | 180.0° |
| N25 | C26 | C21 | N20 | 174.4° | 179.7° |
| N25 | C26 | C21 | C22 | 2.6° | 0.0° |
| C26 | N25 | C24 | C27 | 173.9° | 180.0° |
| C26 | N25 | C24 | C23 | 2.3° | 0.0° |
| C26 | C21 | N20 | C18 | 10.1° | 146.1° |
| C21 | C26 | N25 | C24 | 3.5° | 0.0° |
| C26 | C21 | N20 | C22 | 176.9° | 179.7° |
| C26 | C21 | C22 | C23 | 0.4° | 0.0° |
| C26 | C21 | N20 | H14 | 169.9° | 33.8° |
| C26 | C21 | C22 | H15 | 179.6° | 180.0° |
| C17 | C18 | N20 | C21 | 168.9° | 174.8° |
| C18 | C17 | N16 | N15 | 174.3° | 180.0° |
| C17 | C18 | N20 | H14 | 11.1° | 5.2° |
| N20 | C18 | C17 | N16 | 12.6° | 0.0° |
| C18 | N20 | C21 | H14 | 180.0° | 179.9° |
| C18 | N20 | C21 | C22 | 166.8° | 34.2° |
| N25 | C24 | C27 | C23 | 176.2° | 180.0° |
| N25 | C24 | C23 | C22 | 0.3° | 0.1° |
| C24 | N25 | C26 | H4 | 176.5° | 180.0° |
| N25 | C24 | C23 | H16 | 179.7° | 180.0° |
| N25 | C24 | C27 | H17 | 0.0° | 90.0° |
| N25 | C24 | C27 | H18 | 120.0° | 30.0° |
| N25 | C24 | C27 | H19 | 120.0° | 150.0° |
| C13 | N15 | N16 | C17 | 0.2° | 0.0° |
| C13 | N15 | N16 | H13 | 180.0° | 180.0° |
| N15 | C13 | C14 | H12 | 1.6° | 0.3° |
| C17 | N16 | N15 | H13 | 179.8° | 180.0° |
| N20 | C21 | C22 | C23 | 176.8° | 179.7° |
| N20 | C21 | C26 | H4 | 5.6° | 0.3° |
| N20 | C21 | C22 | H15 | 3.2° | 0.3° |
| C21 | C22 | C23 | C24 | 0.6° | 0.0° |
| C21 | C22 | C23 | H15 | 180.0° | 180.0° |
| C22 | C21 | C26 | H4 | 177.4° | 180.0° |
| C22 | C21 | N20 | H14 | 13.2° | 145.9° |
| C21 | C22 | C23 | H16 | 179.4° | 180.0° |
| C27 | C24 | C23 | C22 | 175.7° | 180.0° |
| C27 | C24 | C23 | H16 | 4.2° | 0.1° |
| C24 | C27 | H17 | H18 | 120.0° | 119.9° |
| C24 | C27 | H17 | H19 | 120.0° | 119.9° |
| C24 | C27 | H18 | H19 | 120.0° | 120.0° |
| C24 | C23 | C22 | H16 | 180.0° | 179.9° |
| C24 | C23 | C22 | H15 | 179.4° | 179.9° |
| C23 | C24 | C27 | H17 | 176.2° | 90.0° |
| C23 | C24 | C27 | H18 | 63.8° | 150.1° |
| C23 | C24 | C27 | H19 | 56.2° | 30.0° |
| H2 | C7 | C6 | H3 | 1.3° | 0.2° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
| H5 | C1 | C2 | H8 | 59.8° | 175.0° |
| H5 | C1 | C2 | H9 | 59.8° | 65.0° |
| H6 | C1 | C2 | H8 | 179.8° | 65.0° |
| H6 | C1 | C2 | H9 | 60.2° | 55.0° |
| H7 | C1 | C2 | H8 | 60.2° | 55.0° |
| H7 | C1 | C2 | H9 | 179.8° | 175.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.1° |
| H15 | C22 | C23 | H16 | 0.7° | 0.0° |
| H17 | C27 | H18 | H19 | 120.0° | 120.1° |
