GK9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C11 | sing | 1.43Å | 1.42Å | |
| O2 | C10 | sing | 1.36Å | 1.37Å | |
| C12 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C13 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.40Å | 1.41Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| O1 | C4 | sing | 1.34Å | 1.38Å | Aromatic |
| O1 | C3 | sing | 1.35Å | 1.37Å | Aromatic |
| N2 | C16 | sing | 1.47Å | 1.47Å | |
| N2 | C6 | sing | 1.39Å | 1.42Å | |
| C4 | C5 | doub | 1.34Å | 1.34Å | Aromatic |
| C3 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | C2 | sing | 1.46Å | 1.37Å | Aromatic |
| C2 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C1 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.32Å | Aromatic |
| C1 | CL1 | sing | 1.74Å | 1.74Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O2 | C10 | 117.0° | 117.0° |
| O2 | C11 | H1 | 109.5° | 109.4° |
| O2 | C11 | H2 | 109.5° | 109.5° |
| O2 | C11 | H3 | 109.4° | 109.5° |
| O2 | C10 | C12 | 120.6° | 120.0° |
| O2 | C10 | C9 | 119.4° | 120.0° |
| C10 | C12 | C13 | 120.6° | 120.2° |
| C12 | C10 | C9 | 120.0° | 120.0° |
| C10 | C12 | H4 | 119.7° | 119.9° |
| C12 | C13 | C14 | 120.1° | 118.9° |
| C12 | C13 | C7 | 119.2° | 119.7° |
| C13 | C12 | H4 | 119.6° | 119.9° |
| C10 | C9 | C8 | 120.1° | 119.9° |
| C10 | C9 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | 115.0° | 110.5° |
| C14 | C13 | C7 | 120.7° | 121.5° |
| C13 | C14 | H5 | 108.1° | 109.3° |
| C13 | C14 | H6 | 108.1° | 109.3° |
| C14 | C15 | C16 | 109.6° | 108.9° |
| C15 | C14 | H5 | 108.1° | 109.2° |
| C15 | C14 | H6 | 108.1° | 109.3° |
| C14 | C15 | H7 | 109.4° | 109.6° |
| C14 | C15 | H8 | 109.4° | 109.6° |
| C13 | C7 | C8 | 119.7° | 120.1° |
| C13 | C7 | N2 | 118.3° | 120.8° |
| C9 | C8 | C7 | 120.4° | 120.1° |
| C9 | C8 | H13 | 119.8° | 119.9° |
| C8 | C9 | H14 | 119.9° | 120.1° |
| C8 | C7 | N2 | 122.0° | 119.1° |
| C7 | C8 | H13 | 119.8° | 119.9° |
| C7 | N2 | C16 | 117.8° | 118.9° |
| C7 | N2 | C6 | 122.9° | 120.6° |
| C15 | C16 | N2 | 107.3° | 107.8° |
| C16 | C15 | H7 | 109.4° | 109.6° |
| C16 | C15 | H8 | 109.4° | 109.5° |
| C15 | C16 | H9 | 110.0° | 109.8° |
| C15 | C16 | H10 | 110.0° | 109.8° |
| C4 | O1 | C3 | 105.5° | 110.8° |
| O1 | C4 | C5 | 111.0° | 110.0° |
| O1 | C4 | H11 | 124.5° | 125.0° |
| O1 | C3 | C6 | 133.4° | 134.5° |
| O1 | C3 | C2 | 108.6° | 107.4° |
| C16 | N2 | C6 | 118.9° | 120.6° |
| N2 | C16 | H9 | 110.0° | 109.8° |
| N2 | C16 | H10 | 110.0° | 109.8° |
| N2 | C6 | C3 | 121.4° | 120.7° |
| N2 | C6 | N3 | 119.0° | 120.7° |
| C4 | C5 | C2 | 107.1° | 106.3° |
| C5 | C4 | H11 | 124.5° | 125.0° |
| C4 | C5 | H12 | 126.5° | 126.9° |
| C6 | C3 | C2 | 118.0° | 118.0° |
| C3 | C6 | N3 | 119.6° | 118.6° |
| C3 | C2 | C5 | 107.8° | 105.5° |
| C3 | C2 | N1 | 122.3° | 119.4° |
| C6 | N3 | C1 | 117.9° | 121.4° |
| C5 | C2 | N1 | 129.9° | 135.2° |
| C2 | C5 | H12 | 126.4° | 126.9° |
| C2 | N1 | C1 | 114.1° | 120.4° |
| N3 | C1 | N1 | 128.1° | 122.2° |
| N3 | C1 | CL1 | 115.4° | 118.9° |
| N1 | C1 | CL1 | 116.5° | 118.9° |
| H1 | C11 | H2 | 109.4° | 109.5° |
| H1 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.2° |
| H7 | C15 | H8 | 109.5° | 109.6° |
| H9 | C16 | H10 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | O2 | C10 | C12 | 175.7° | 179.7° |
| C11 | O2 | C10 | C9 | 4.3° | 0.0° |
| O2 | C11 | H1 | H2 | 120.0° | 120.0° |
| O2 | C11 | H1 | H3 | 120.0° | 120.0° |
| O2 | C11 | H2 | H3 | 120.0° | 120.0° |
| O2 | C10 | C12 | C9 | 179.9° | 179.7° |
| O2 | C10 | C12 | C13 | 179.8° | 179.7° |
| O2 | C10 | C9 | C8 | 179.7° | 179.6° |
| C10 | O2 | C11 | H1 | 180.0° | 180.0° |
| C10 | O2 | C11 | H2 | 60.0° | 60.0° |
| C10 | O2 | C11 | H3 | 60.0° | 60.0° |
| O2 | C10 | C12 | H4 | 0.2° | 0.3° |
| O2 | C10 | C9 | H14 | 0.2° | 0.3° |
| C10 | C12 | C13 | H4 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 179.9° | 179.6° |
| C10 | C12 | C13 | C7 | 0.3° | 0.2° |
| C12 | C10 | C9 | C8 | 0.2° | 0.1° |
| C12 | C10 | C9 | H14 | 179.8° | 179.9° |
| C13 | C12 | C10 | C9 | 0.3° | 0.0° |
| C12 | C13 | C14 | C7 | 179.6° | 179.8° |
| C12 | C13 | C14 | C15 | 171.2° | 159.4° |
| C12 | C13 | C7 | C8 | 1.3° | 0.3° |
| C12 | C13 | C7 | N2 | 179.6° | 179.5° |
| C12 | C13 | C14 | H5 | 50.4° | 80.4° |
| C12 | C13 | C14 | H6 | 68.0° | 39.1° |
| C10 | C9 | C8 | H14 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 1.2° | 0.0° |
| C9 | C10 | C12 | H4 | 179.7° | 180.0° |
| C10 | C9 | C8 | H13 | 178.8° | 180.0° |
| C13 | C14 | C15 | H5 | 120.8° | 120.3° |
| C13 | C14 | C15 | H6 | 120.8° | 120.3° |
| C14 | C13 | C7 | C8 | 179.1° | 179.5° |
| C14 | C13 | C7 | N2 | 0.7° | 0.7° |
| C13 | C14 | C15 | C16 | 39.9° | 51.4° |
| C14 | C13 | C12 | H4 | 0.1° | 0.4° |
| C13 | C14 | H5 | H6 | 117.5° | 119.5° |
| C13 | C14 | C15 | H7 | 80.1° | 171.3° |
| C13 | C14 | C15 | H8 | 160.0° | 68.4° |
| C15 | C14 | C13 | C7 | 9.2° | 20.9° |
| C14 | C15 | C16 | H7 | 120.0° | 119.9° |
| C14 | C15 | C16 | H8 | 120.0° | 119.8° |
| C14 | C15 | C16 | N2 | 61.4° | 63.2° |
| C15 | C14 | H5 | H6 | 117.5° | 119.5° |
| C14 | C15 | H7 | H8 | 119.9° | 120.3° |
| C14 | C15 | C16 | H9 | 178.9° | 56.4° |
| C14 | C15 | C16 | H10 | 58.3° | 177.2° |
| C13 | C7 | C8 | C9 | 1.8° | 0.2° |
| C13 | C7 | C8 | N2 | 178.3° | 179.8° |
| C13 | C7 | N2 | C16 | 25.4° | 13.7° |
| C13 | C7 | N2 | C6 | 147.4° | 166.3° |
| C7 | C13 | C12 | H4 | 179.7° | 179.8° |
| C7 | C13 | C14 | H5 | 130.0° | 99.4° |
| C7 | C13 | C14 | H6 | 111.6° | 141.2° |
| C13 | C7 | C8 | H13 | 178.2° | 179.8° |
| C9 | C8 | C7 | H13 | 180.0° | 180.0° |
| C9 | C8 | C7 | N2 | 179.9° | 179.6° |
| C8 | C7 | N2 | C16 | 156.3° | 166.5° |
| C8 | C7 | N2 | C6 | 30.9° | 13.5° |
| C7 | C8 | C9 | H14 | 178.8° | 180.0° |
| C7 | N2 | C16 | C15 | 56.3° | 44.6° |
| C7 | N2 | C16 | C6 | 173.1° | 180.0° |
| C7 | N2 | C6 | C3 | 31.3° | 87.4° |
| C7 | N2 | C6 | N3 | 150.3° | 92.4° |
| C7 | N2 | C16 | H9 | 176.0° | 74.9° |
| C7 | N2 | C16 | H10 | 63.3° | 164.3° |
| N2 | C7 | C8 | H13 | 0.1° | 0.4° |
| C15 | C16 | N2 | H9 | 119.7° | 119.6° |
| C15 | C16 | N2 | H10 | 119.6° | 119.6° |
| C15 | C16 | N2 | C6 | 116.8° | 135.3° |
| C16 | C15 | C14 | H5 | 160.8° | 68.8° |
| C16 | C15 | C14 | H6 | 80.9° | 171.7° |
| C16 | C15 | H7 | H8 | 119.9° | 120.2° |
| C15 | C16 | H9 | H10 | 121.0° | 120.8° |
| O1 | C4 | C5 | H11 | 180.0° | 179.9° |
| C4 | O1 | C3 | C6 | 179.8° | 179.7° |
| C4 | O1 | C3 | C2 | 0.1° | 0.1° |
| O1 | C4 | C5 | C2 | 0.1° | 0.1° |
| O1 | C4 | C5 | H12 | 179.9° | 179.9° |
| O1 | C3 | C6 | N2 | 1.1° | 0.1° |
| C3 | O1 | C4 | C5 | 0.2° | 0.2° |
| O1 | C3 | C6 | C2 | 179.6° | 179.8° |
| O1 | C3 | C6 | N3 | 179.4° | 180.0° |
| O1 | C3 | C2 | C5 | 0.1° | 0.1° |
| O1 | C3 | C2 | N1 | 179.9° | 179.8° |
| C3 | O1 | C4 | H11 | 179.9° | 180.0° |
| C16 | N2 | C6 | C3 | 141.4° | 92.5° |
| C16 | N2 | C6 | N3 | 36.9° | 87.6° |
| N2 | C16 | C15 | H7 | 58.7° | 177.0° |
| N2 | C16 | C15 | H8 | 178.6° | 56.7° |
| N2 | C16 | H9 | H10 | 121.0° | 120.9° |
| N2 | C6 | C3 | N3 | 178.3° | 179.8° |
| N2 | C6 | C3 | C2 | 178.5° | 180.0° |
| N2 | C6 | N3 | C1 | 179.1° | 179.8° |
| C6 | N2 | C16 | H9 | 2.9° | 105.1° |
| C6 | N2 | C16 | H10 | 123.6° | 15.7° |
| C4 | C5 | C2 | C3 | 0.0° | 0.0° |
| C4 | C5 | C2 | H12 | 180.0° | 179.9° |
| C4 | C5 | C2 | N1 | 180.0° | 179.9° |
| C6 | C3 | C2 | C5 | 179.8° | 179.8° |
| C6 | C3 | C2 | N1 | 0.2° | 0.3° |
| C3 | C6 | N3 | C1 | 0.7° | 0.1° |
| C2 | C3 | C6 | N3 | 0.2° | 0.2° |
| C3 | C2 | C5 | N1 | 180.0° | 179.9° |
| C3 | C2 | N1 | C1 | 0.1° | 0.1° |
| C3 | C2 | C5 | H12 | 180.0° | 180.0° |
| C6 | N3 | C1 | N1 | 1.0° | 0.3° |
| C6 | N3 | C1 | CL1 | 179.2° | 180.0° |
| C5 | C2 | N1 | C1 | 179.9° | 180.0° |
| C2 | C5 | C4 | H11 | 179.9° | 180.0° |
| C2 | N1 | C1 | N3 | 0.5° | 0.2° |
| C2 | N1 | C1 | CL1 | 179.6° | 179.9° |
| N1 | C2 | C5 | H12 | 0.0° | 0.1° |
| N3 | C1 | N1 | CL1 | 179.9° | 179.7° |
| H1 | C11 | H2 | H3 | 120.0° | 120.1° |
| H5 | C14 | C15 | H7 | 40.7° | 51.0° |
| H5 | C14 | C15 | H8 | 79.2° | 171.4° |
| H6 | C14 | C15 | H7 | 159.1° | 68.4° |
| H6 | C14 | C15 | H8 | 39.2° | 52.0° |
| H7 | C15 | C16 | H9 | 61.0° | 63.4° |
| H7 | C15 | C16 | H10 | 178.3° | 57.3° |
| H8 | C15 | C16 | H9 | 58.9° | 176.3° |
| H8 | C15 | C16 | H10 | 61.8° | 63.0° |
| H11 | C4 | C5 | H12 | 0.1° | 0.1° |
| H13 | C8 | C9 | H14 | 1.2° | 0.0° |
