9GC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | doub | 1.21Å | 1.26Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | O3 | sing | 1.34Å | 1.25Å | |
| C12 | N2 | sing | 1.47Å | 1.44Å | |
| N2 | C11 | sing | 1.35Å | 1.33Å | |
| C11 | O1 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | sing | 1.47Å | 1.50Å | |
| C10 | N1 | doub | 1.34Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| O4 | C9 | sing | 1.36Å | 1.34Å | |
| N1 | C2 | sing | 1.31Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.43Å | Aromatic |
| C2 | O6 | sing | 1.36Å | 1.35Å | |
| C2 | C3 | doub | 1.42Å | 1.43Å | Aromatic |
| C1 | O6 | sing | 1.43Å | 1.42Å | |
| C8 | C3 | sing | 1.42Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | C6 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | O5 | sing | 1.36Å | 1.39Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| O5 | C14 | sing | 1.36Å | 1.39Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C27 | sing | 1.51Å | 1.51Å | |
| C17 | C27 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C13 | C12 | 117.7° | 120.0° |
| O2 | C13 | O3 | 125.8° | 120.0° |
| C12 | C13 | O3 | 116.5° | 120.0° |
| C13 | C12 | N2 | 114.3° | 109.5° |
| C13 | C12 | H7 | 108.2° | 109.4° |
| C13 | C12 | H8 | 108.3° | 109.5° |
| C13 | O3 | H17 | 109.5° | 117.0° |
| C12 | N2 | C11 | 120.4° | 120.0° |
| N2 | C12 | H7 | 108.3° | 109.5° |
| N2 | C12 | H8 | 108.3° | 109.4° |
| C12 | N2 | H16 | 119.8° | 120.0° |
| N2 | C11 | O1 | 122.5° | 120.1° |
| N2 | C11 | C10 | 116.5° | 120.0° |
| C11 | N2 | H16 | 119.8° | 120.0° |
| O1 | C11 | C10 | 121.0° | 120.0° |
| C11 | C10 | N1 | 118.1° | 119.3° |
| C11 | C10 | C9 | 120.8° | 119.3° |
| N1 | C10 | C9 | 121.1° | 121.4° |
| C10 | N1 | C2 | 120.8° | 122.6° |
| C10 | C9 | O4 | 120.5° | 120.7° |
| C10 | C9 | C8 | 119.6° | 118.5° |
| O4 | C9 | C8 | 119.9° | 120.8° |
| C9 | O4 | H18 | 109.5° | 114.0° |
| N1 | C2 | O6 | 121.0° | 119.8° |
| N1 | C2 | C3 | 122.5° | 120.3° |
| C9 | C8 | C3 | 118.4° | 118.3° |
| C9 | C8 | C7 | 122.6° | 121.9° |
| O6 | C2 | C3 | 116.5° | 119.9° |
| C2 | O6 | C1 | 117.1° | 117.0° |
| C2 | C3 | C8 | 117.5° | 118.9° |
| C2 | C3 | C4 | 122.9° | 121.7° |
| O6 | C1 | H1 | 109.5° | 109.4° |
| O6 | C1 | H2 | 109.5° | 109.4° |
| O6 | C1 | H3 | 109.5° | 109.5° |
| C3 | C8 | C7 | 119.0° | 119.8° |
| C8 | C3 | C4 | 119.5° | 119.4° |
| C8 | C7 | C6 | 120.6° | 119.7° |
| C8 | C7 | H6 | 119.7° | 120.1° |
| C3 | C4 | C5 | 119.0° | 119.5° |
| C3 | C4 | H4 | 120.5° | 120.3° |
| C7 | C6 | C5 | 119.8° | 120.9° |
| C7 | C6 | H5 | 120.1° | 119.6° |
| C6 | C7 | H6 | 119.7° | 120.1° |
| C4 | C5 | C6 | 122.1° | 120.7° |
| C4 | C5 | O5 | 126.3° | 119.7° |
| C5 | C4 | H4 | 120.5° | 120.2° |
| C6 | C5 | O5 | 111.6° | 119.6° |
| C5 | C6 | H5 | 120.1° | 119.5° |
| C5 | O5 | C14 | 130.0° | 118.0° |
| C16 | C15 | C14 | 119.6° | 119.9° |
| C15 | C16 | C17 | 121.3° | 120.1° |
| C16 | C15 | H9 | 120.2° | 120.0° |
| C15 | C16 | H10 | 119.4° | 120.0° |
| C15 | C14 | O5 | 123.0° | 120.0° |
| C15 | C14 | C19 | 120.5° | 119.9° |
| C14 | C15 | H9 | 120.2° | 120.1° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H13 | 120.0° | 120.0° |
| C22 | C23 | H22 | 120.1° | 120.0° |
| C23 | C24 | C25 | 120.1° | 120.0° |
| C23 | C24 | H14 | 119.9° | 120.0° |
| C24 | C23 | H22 | 120.1° | 120.0° |
| O5 | C14 | C19 | 116.2° | 120.1° |
| C22 | C21 | C20 | 121.4° | 120.0° |
| C22 | C21 | H12 | 119.3° | 120.0° |
| C21 | C22 | H13 | 120.1° | 120.0° |
| C16 | C17 | C27 | 123.0° | 120.0° |
| C16 | C17 | C18 | 117.4° | 120.1° |
| C17 | C16 | H10 | 119.4° | 120.0° |
| C14 | C19 | C18 | 119.1° | 119.9° |
| C14 | C19 | H19 | 120.4° | 120.0° |
| C24 | C25 | C20 | 120.9° | 120.0° |
| C25 | C24 | H14 | 119.9° | 120.0° |
| C24 | C25 | H15 | 119.5° | 120.0° |
| C21 | C20 | C25 | 117.7° | 120.0° |
| C21 | C20 | C27 | 120.7° | 120.0° |
| C20 | C21 | H12 | 119.3° | 120.0° |
| C25 | C20 | C27 | 121.4° | 120.0° |
| C20 | C25 | H15 | 119.5° | 120.0° |
| C20 | C27 | C17 | 119.6° | 109.4° |
| C20 | C27 | H20 | 106.9° | 109.4° |
| C20 | C27 | H21 | 106.9° | 109.5° |
| C27 | C17 | C18 | 119.6° | 120.0° |
| C17 | C27 | H20 | 106.9° | 109.4° |
| C17 | C27 | H21 | 106.9° | 109.5° |
| C17 | C18 | C19 | 122.1° | 120.1° |
| C17 | C18 | H11 | 119.0° | 120.0° |
| C19 | C18 | H11 | 119.0° | 120.0° |
| C18 | C19 | H19 | 120.4° | 120.1° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H20 | C27 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | C12 | O3 | 178.0° | 179.9° |
| O2 | C13 | C12 | N2 | 155.1° | 0.1° |
| O2 | C13 | C12 | H7 | 34.3° | 120.1° |
| O2 | C13 | C12 | H8 | 84.2° | 119.9° |
| O2 | C13 | O3 | H17 | 0.0° | 0.1° |
| C13 | C12 | N2 | H7 | 120.7° | 120.0° |
| C13 | C12 | N2 | H8 | 120.7° | 120.1° |
| C13 | C12 | N2 | C11 | 86.6° | 180.0° |
| C13 | C12 | H7 | H8 | 117.8° | 120.0° |
| C13 | C12 | N2 | H16 | 93.4° | 0.0° |
| C12 | C13 | O3 | H17 | 177.8° | 180.0° |
| O3 | C13 | C12 | N2 | 22.9° | 179.9° |
| O3 | C13 | C12 | H7 | 143.7° | 60.0° |
| O3 | C13 | C12 | H8 | 97.8° | 60.0° |
| C12 | N2 | C11 | H16 | 180.0° | 180.0° |
| C12 | N2 | C11 | O1 | 18.8° | 0.0° |
| C12 | N2 | C11 | C10 | 160.4° | 180.0° |
| N2 | C12 | H7 | H8 | 117.8° | 120.0° |
| N2 | C11 | O1 | C10 | 179.2° | 180.0° |
| N2 | C11 | C10 | N1 | 119.8° | 0.0° |
| N2 | C11 | C10 | C9 | 62.0° | 179.5° |
| C11 | N2 | C12 | H7 | 152.7° | 60.0° |
| C11 | N2 | C12 | H8 | 34.1° | 60.0° |
| O1 | C11 | C10 | N1 | 59.5° | 180.0° |
| O1 | C11 | C10 | C9 | 118.8° | 0.6° |
| O1 | C11 | N2 | H16 | 161.2° | 179.9° |
| C11 | C10 | N1 | C9 | 178.3° | 179.4° |
| C11 | C10 | C9 | O4 | 1.6° | 0.2° |
| C11 | C10 | N1 | C2 | 179.0° | 180.0° |
| C11 | C10 | C9 | C8 | 178.5° | 179.7° |
| C10 | C11 | N2 | H16 | 19.6° | 0.0° |
| N1 | C10 | C9 | O4 | 179.8° | 179.7° |
| N1 | C10 | C9 | C8 | 0.2° | 0.3° |
| C10 | N1 | C2 | O6 | 179.4° | 179.7° |
| C10 | N1 | C2 | C3 | 1.0° | 0.6° |
| C10 | C9 | O4 | C8 | 180.0° | 179.9° |
| C9 | C10 | N1 | C2 | 0.7° | 0.6° |
| C10 | C9 | C8 | C3 | 0.1° | 0.0° |
| C10 | C9 | C8 | C7 | 179.9° | 180.0° |
| C10 | C9 | O4 | H18 | 180.0° | 90.1° |
| O4 | C9 | C8 | C3 | 180.0° | 180.0° |
| O4 | C9 | C8 | C7 | 0.1° | 0.1° |
| N1 | C2 | O6 | C3 | 179.6° | 179.7° |
| N1 | C2 | O6 | C1 | 20.6° | 0.3° |
| N1 | C2 | C3 | C8 | 0.8° | 0.3° |
| N1 | C2 | C3 | C4 | 179.5° | 179.7° |
| C9 | C8 | C3 | C2 | 0.3° | 0.0° |
| C9 | C8 | C3 | C7 | 180.0° | 180.0° |
| C9 | C8 | C3 | C4 | 179.9° | 180.0° |
| C9 | C8 | C7 | C6 | 179.9° | 180.0° |
| C9 | C8 | C7 | H6 | 0.2° | 0.1° |
| C8 | C9 | O4 | H18 | 0.0° | 90.0° |
| O6 | C2 | C3 | C8 | 179.6° | 180.0° |
| O6 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | O6 | C1 | H1 | 180.0° | 60.0° |
| C2 | O6 | C1 | H2 | 60.0° | 180.0° |
| C2 | O6 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | O6 | C1 | 159.0° | 180.0° |
| C2 | C3 | C8 | C4 | 179.7° | 180.0° |
| C2 | C3 | C8 | C7 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 179.4° | 180.0° |
| C2 | C3 | C4 | H4 | 0.6° | 0.1° |
| O6 | C1 | H1 | H2 | 120.0° | 119.9° |
| O6 | C1 | H1 | H3 | 120.1° | 120.1° |
| O6 | C1 | H2 | H3 | 120.0° | 120.0° |
| C3 | C8 | C7 | C6 | 0.2° | 0.1° |
| C8 | C3 | C4 | C5 | 0.3° | 0.0° |
| C8 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C8 | C7 | H6 | 179.8° | 179.9° |
| C7 | C8 | C3 | C4 | 0.1° | 0.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.4° | 0.1° |
| C8 | C7 | C6 | H5 | 179.6° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | O5 | 179.9° | 180.0° |
| C7 | C6 | C5 | C4 | 0.7° | 0.0° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | O5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O5 | 179.4° | 180.0° |
| C4 | C5 | O5 | C14 | 9.3° | 90.2° |
| C4 | C5 | C6 | H5 | 179.3° | 180.0° |
| C6 | C5 | O5 | C14 | 171.4° | 89.9° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C5 | C6 | C7 | H6 | 179.5° | 179.9° |
| C5 | O5 | C14 | C15 | 79.6° | 179.6° |
| C5 | O5 | C14 | C19 | 106.8° | 0.6° |
| O5 | C5 | C4 | H4 | 0.1° | 0.0° |
| O5 | C5 | C6 | H5 | 0.0° | 0.1° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | O5 | 176.2° | 179.7° |
| C15 | C16 | C17 | H10 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 2.9° | 0.0° |
| C15 | C16 | C17 | C27 | 178.7° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C14 | O5 | C19 | 173.6° | 179.7° |
| C14 | C15 | C16 | C17 | 1.8° | 0.0° |
| C15 | C14 | C19 | C18 | 2.1° | 0.1° |
| C14 | C15 | C16 | H10 | 178.2° | 179.9° |
| C15 | C14 | C19 | H19 | 177.9° | 180.0° |
| C22 | C23 | C24 | H22 | 180.0° | 179.7° |
| C23 | C22 | C21 | H13 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.6° | 0.4° |
| C23 | C22 | C21 | C20 | 1.2° | 0.0° |
| C23 | C22 | C21 | H12 | 178.8° | 180.0° |
| C22 | C23 | C24 | H14 | 179.4° | 179.7° |
| C24 | C23 | C22 | C21 | 0.6° | 0.4° |
| C23 | C24 | C25 | H14 | 180.0° | 179.9° |
| C23 | C24 | C25 | C20 | 1.1° | 0.0° |
| C24 | C23 | C22 | H13 | 179.4° | 179.7° |
| C23 | C24 | C25 | H15 | 178.9° | 180.0° |
| O5 | C14 | C19 | C18 | 175.8° | 179.7° |
| O5 | C14 | C15 | H9 | 3.8° | 0.3° |
| O5 | C14 | C19 | H19 | 4.2° | 0.2° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C22 | C21 | C20 | C25 | 2.8° | 0.3° |
| C22 | C21 | C20 | C27 | 178.4° | 180.0° |
| C21 | C22 | C23 | H22 | 179.4° | 180.0° |
| C16 | C17 | C27 | C20 | 7.9° | 90.0° |
| C16 | C17 | C27 | C18 | 178.5° | 179.9° |
| C16 | C17 | C18 | C19 | 1.0° | 0.1° |
| C17 | C16 | C15 | H9 | 178.2° | 180.0° |
| C16 | C17 | C18 | H11 | 178.9° | 180.0° |
| C16 | C17 | C27 | H20 | 113.5° | 150.0° |
| C16 | C17 | C27 | H21 | 129.3° | 30.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.1° |
| C14 | C19 | C18 | H19 | 180.0° | 179.9° |
| C19 | C14 | C15 | H9 | 177.1° | 180.0° |
| C14 | C19 | C18 | H11 | 179.9° | 180.0° |
| C24 | C25 | C20 | C21 | 2.8° | 0.3° |
| C24 | C25 | C20 | H15 | 180.0° | 180.0° |
| C24 | C25 | C20 | C27 | 178.3° | 180.0° |
| C25 | C24 | C23 | H22 | 179.4° | 180.0° |
| C21 | C20 | C25 | C27 | 175.6° | 179.7° |
| C21 | C20 | C27 | C17 | 97.8° | 90.0° |
| C20 | C21 | C22 | H13 | 178.9° | 180.0° |
| C21 | C20 | C25 | H15 | 177.3° | 179.7° |
| C21 | C20 | C27 | H20 | 140.8° | 29.9° |
| C21 | C20 | C27 | H21 | 23.6° | 150.0° |
| C25 | C20 | C27 | C17 | 86.7° | 90.3° |
| C25 | C20 | C21 | H12 | 177.2° | 179.7° |
| C20 | C25 | C24 | H14 | 178.9° | 180.0° |
| C25 | C20 | C27 | H20 | 34.7° | 149.7° |
| C25 | C20 | C27 | H21 | 151.8° | 29.7° |
| C20 | C27 | C17 | H20 | 121.4° | 119.9° |
| C20 | C27 | C17 | H21 | 121.4° | 120.0° |
| C20 | C27 | C17 | C18 | 173.6° | 90.0° |
| C27 | C20 | C21 | H12 | 1.6° | 0.0° |
| C27 | C20 | C25 | H15 | 1.7° | 0.0° |
| C20 | C27 | H20 | H21 | 115.4° | 120.1° |
| C27 | C17 | C18 | C19 | 179.6° | 180.0° |
| C27 | C17 | C16 | H10 | 1.3° | 0.1° |
| C27 | C17 | C18 | H11 | 0.4° | 0.1° |
| C17 | C27 | H20 | H21 | 115.4° | 120.0° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C18 | C17 | C16 | H10 | 179.8° | 180.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C17 | C27 | H20 | 65.0° | 29.9° |
| C18 | C17 | C27 | H21 | 52.2° | 150.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C6 | C7 | H6 | 0.4° | 0.2° |
| H7 | C12 | N2 | H16 | 27.3° | 120.0° |
| H8 | C12 | N2 | H16 | 145.9° | 120.1° |
| H9 | C15 | C16 | H10 | 1.8° | 0.0° |
| H11 | C18 | C19 | H19 | 0.0° | 0.0° |
| H12 | C21 | C22 | H13 | 1.2° | 0.0° |
| H13 | C22 | C23 | H22 | 0.6° | 0.0° |
| H14 | C24 | C25 | H15 | 1.1° | 0.0° |
| H14 | C24 | C23 | H22 | 0.6° | 0.0° |
