G9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C18 | doub | 1.21Å | 1.28Å | |
| O2 | C18 | sing | 1.35Å | 1.25Å | |
| C18 | C15 | sing | 1.48Å | 1.51Å | |
| C15 | C14 | doub | 1.40Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | trip | 1.17Å | 1.15Å | |
| C10 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.37Å | 1.38Å | Aromatic |
| C9 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C1 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.53Å | |
| C4 | N1 | sing | 1.39Å | 1.38Å | |
| C1 | C23 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.53Å | 1.50Å | |
| N1 | C19 | sing | 1.47Å | 1.50Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.48Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C18 | O2 | 125.3° | 120.0° |
| O1 | C18 | C15 | 116.4° | 120.0° |
| O2 | C18 | C15 | 118.2° | 120.0° |
| C18 | O2 | H12 | 109.5° | 117.0° |
| C18 | C15 | C14 | 120.6° | 120.0° |
| C18 | C15 | C16 | 120.5° | 120.0° |
| C14 | C15 | C16 | 118.8° | 120.0° |
| C15 | C14 | C13 | 121.1° | 120.0° |
| C15 | C14 | H1 | 119.4° | 120.0° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C15 | C16 | H10 | 119.7° | 120.0° |
| C14 | C13 | C12 | 120.6° | 120.0° |
| C13 | C14 | H1 | 119.4° | 120.0° |
| C14 | C13 | H5 | 119.7° | 120.1° |
| C16 | C17 | C12 | 120.4° | 120.0° |
| C17 | C16 | H10 | 119.7° | 120.0° |
| C16 | C17 | H11 | 119.8° | 120.0° |
| C13 | C12 | C17 | 118.5° | 120.0° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C12 | C13 | H5 | 119.7° | 120.0° |
| C17 | C12 | C11 | 121.4° | 120.0° |
| C12 | C17 | H11 | 119.8° | 120.0° |
| C12 | C11 | C10 | 175.0° | 179.9° |
| C11 | C10 | C8 | 176.8° | 180.0° |
| C10 | C8 | C7 | 120.6° | 120.2° |
| C10 | C8 | C9 | 120.7° | 120.2° |
| C7 | C8 | C9 | 118.6° | 119.5° |
| C8 | C7 | C6 | 120.6° | 119.8° |
| C8 | C7 | H3 | 119.7° | 120.1° |
| C8 | C9 | C5 | 122.0° | 120.4° |
| C8 | C9 | H4 | 119.0° | 119.8° |
| C7 | C6 | C4 | 120.4° | 120.7° |
| C7 | C6 | H2 | 119.8° | 119.7° |
| C6 | C7 | H3 | 119.7° | 120.1° |
| C9 | C5 | C4 | 119.2° | 120.0° |
| C9 | C5 | C1 | 118.3° | 118.0° |
| C5 | C9 | H4 | 119.0° | 119.8° |
| C6 | C4 | C5 | 119.1° | 119.6° |
| C6 | C4 | N1 | 120.1° | 117.5° |
| C4 | C6 | H2 | 119.8° | 119.6° |
| C22 | C1 | C5 | 109.9° | 109.5° |
| C22 | C1 | C23 | 107.6° | 109.4° |
| C22 | C1 | C2 | 110.9° | 109.4° |
| C1 | C22 | H20 | 109.5° | 109.4° |
| C1 | C22 | H21 | 109.5° | 109.5° |
| C1 | C22 | H22 | 109.5° | 109.5° |
| C4 | C5 | C1 | 122.5° | 122.0° |
| C5 | C4 | N1 | 120.7° | 122.9° |
| C5 | C1 | C23 | 112.6° | 109.4° |
| C5 | C1 | C2 | 108.5° | 109.7° |
| C4 | N1 | C19 | 120.6° | 111.0° |
| C4 | N1 | C3 | 119.5° | 113.1° |
| C23 | C1 | C2 | 107.3° | 109.4° |
| C1 | C23 | H23 | 109.5° | 109.4° |
| C1 | C23 | H24 | 109.5° | 109.5° |
| C1 | C23 | H25 | 109.4° | 109.5° |
| C1 | C2 | C3 | 114.4° | 107.8° |
| C1 | C2 | H8 | 108.2° | 109.8° |
| C1 | C2 | H9 | 108.3° | 109.8° |
| C21 | C19 | N1 | 111.4° | 109.5° |
| C21 | C19 | C20 | 111.1° | 109.5° |
| C21 | C19 | H13 | 107.1° | 109.5° |
| C19 | C21 | H17 | 109.5° | 109.5° |
| C19 | C21 | H18 | 109.5° | 109.5° |
| C19 | C21 | H19 | 109.5° | 109.5° |
| C19 | N1 | C3 | 119.8° | 111.0° |
| N1 | C19 | C20 | 112.5° | 109.4° |
| N1 | C19 | H13 | 107.1° | 109.5° |
| N1 | C3 | C2 | 110.5° | 108.7° |
| N1 | C3 | H6 | 109.2° | 109.6° |
| N1 | C3 | H7 | 109.2° | 109.6° |
| C20 | C19 | H13 | 107.2° | 109.5° |
| C19 | C20 | H14 | 109.5° | 109.4° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.2° | 109.6° |
| C2 | C3 | H7 | 109.2° | 109.6° |
| C3 | C2 | H8 | 108.2° | 109.8° |
| C3 | C2 | H9 | 108.2° | 109.8° |
| H6 | C3 | H7 | 109.5° | 109.7° |
| H8 | C2 | H9 | 109.5° | 109.9° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H16 | 109.4° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H19 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.4° |
| H20 | C22 | H21 | 109.5° | 109.4° |
| H20 | C22 | H22 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.4° | 109.4° |
| H23 | C23 | H25 | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C18 | O2 | C15 | 175.0° | 179.9° |
| O1 | C18 | C15 | C14 | 144.6° | 0.1° |
| O1 | C18 | C15 | C16 | 31.8° | 180.0° |
| O1 | C18 | O2 | H12 | 0.0° | 0.0° |
| O2 | C18 | C15 | C14 | 30.8° | 180.0° |
| O2 | C18 | C15 | C16 | 152.8° | 0.1° |
| C18 | C15 | C14 | C16 | 176.4° | 179.9° |
| C18 | C15 | C14 | C13 | 177.7° | 179.9° |
| C18 | C15 | C16 | C17 | 178.0° | 179.9° |
| C18 | C15 | C14 | H1 | 2.3° | 0.3° |
| C18 | C15 | C16 | H10 | 2.0° | 0.0° |
| C15 | C18 | O2 | H12 | 175.0° | 180.0° |
| C15 | C14 | C13 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 1.6° | 0.0° |
| C15 | C14 | C13 | C12 | 1.1° | 0.2° |
| C15 | C14 | C13 | H5 | 178.9° | 179.7° |
| C14 | C15 | C16 | H10 | 178.4° | 180.0° |
| C16 | C15 | C14 | C13 | 1.2° | 0.0° |
| C15 | C16 | C17 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.3° | 0.3° |
| C16 | C15 | C14 | H1 | 178.8° | 179.7° |
| C15 | C16 | C17 | H11 | 179.7° | 180.0° |
| C14 | C13 | C12 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 2.9° | 0.5° |
| C14 | C13 | C12 | C11 | 177.6° | 180.0° |
| C16 | C17 | C12 | C13 | 2.5° | 0.5° |
| C16 | C17 | C12 | H11 | 180.0° | 179.7° |
| C16 | C17 | C12 | C11 | 177.1° | 180.0° |
| C13 | C12 | C17 | C11 | 174.6° | 179.5° |
| C13 | C12 | C11 | C10 | 50.5° | 36.6° |
| C12 | C13 | C14 | H1 | 178.9° | 180.0° |
| C13 | C12 | C17 | H11 | 177.5° | 179.8° |
| C17 | C12 | C11 | C10 | 123.9° | 142.9° |
| C17 | C12 | C13 | H5 | 177.0° | 179.5° |
| C12 | C17 | C16 | H10 | 179.7° | 179.7° |
| C12 | C11 | C10 | C8 | 81.0° | 144.6° |
| C11 | C12 | C13 | H5 | 2.4° | 0.0° |
| C11 | C12 | C17 | H11 | 2.9° | 0.3° |
| C11 | C10 | C8 | C7 | 29.4° | 72.0° |
| C11 | C10 | C8 | C9 | 146.5° | 107.8° |
| C10 | C8 | C7 | C9 | 176.0° | 179.8° |
| C10 | C8 | C7 | C6 | 177.6° | 179.9° |
| C10 | C8 | C9 | C5 | 179.0° | 180.0° |
| C10 | C8 | C7 | H3 | 2.4° | 0.1° |
| C10 | C8 | C9 | H4 | 1.0° | 0.1° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C5 | 3.1° | 0.1° |
| C8 | C7 | C6 | C4 | 1.9° | 0.0° |
| C8 | C7 | C6 | H2 | 178.1° | 180.0° |
| C7 | C8 | C9 | H4 | 176.9° | 180.0° |
| C9 | C8 | C7 | C6 | 1.6° | 0.1° |
| C8 | C9 | C5 | H4 | 180.0° | 179.9° |
| C8 | C9 | C5 | C4 | 0.9° | 0.1° |
| C8 | C9 | C5 | C1 | 177.8° | 179.7° |
| C9 | C8 | C7 | H3 | 178.3° | 179.9° |
| C7 | C6 | C4 | H2 | 180.0° | 179.9° |
| C7 | C6 | C4 | C5 | 4.1° | 0.0° |
| C7 | C6 | C4 | N1 | 179.6° | 179.7° |
| C9 | C5 | C4 | C6 | 2.7° | 0.0° |
| C9 | C5 | C1 | C22 | 74.9° | 75.2° |
| C9 | C5 | C4 | C1 | 178.6° | 179.8° |
| C9 | C5 | C4 | N1 | 178.2° | 179.6° |
| C9 | C5 | C1 | C23 | 45.0° | 44.6° |
| C9 | C5 | C1 | C2 | 163.7° | 164.7° |
| C6 | C4 | C5 | N1 | 175.5° | 179.7° |
| C6 | C4 | C5 | C1 | 178.6° | 179.8° |
| C6 | C4 | N1 | C19 | 5.7° | 34.6° |
| C6 | C4 | N1 | C3 | 169.7° | 160.2° |
| C4 | C6 | C7 | H3 | 178.1° | 180.0° |
| C22 | C1 | C5 | C4 | 103.7° | 104.6° |
| C22 | C1 | C5 | C23 | 120.0° | 119.9° |
| C22 | C1 | C5 | C2 | 121.4° | 120.1° |
| C22 | C1 | C23 | C2 | 119.4° | 119.9° |
| C22 | C1 | C2 | C3 | 76.3° | 72.8° |
| C22 | C1 | C2 | H8 | 163.0° | 46.7° |
| C22 | C1 | C2 | H9 | 44.4° | 167.6° |
| C1 | C22 | H20 | H21 | 120.0° | 120.0° |
| C1 | C22 | H20 | H22 | 120.0° | 120.0° |
| C1 | C22 | H21 | H22 | 120.0° | 120.1° |
| C22 | C1 | C23 | H23 | 180.0° | 59.9° |
| C22 | C1 | C23 | H24 | 60.0° | 60.0° |
| C22 | C1 | C23 | H25 | 60.0° | 179.9° |
| C4 | C5 | C1 | C23 | 136.3° | 135.5° |
| C4 | C5 | C1 | C2 | 17.7° | 15.5° |
| C5 | C4 | N1 | C19 | 169.7° | 145.7° |
| C5 | C4 | N1 | C3 | 14.9° | 20.1° |
| C5 | C4 | C6 | H2 | 175.9° | 180.0° |
| C4 | C5 | C9 | H4 | 179.1° | 180.0° |
| C1 | C5 | C4 | N1 | 3.2° | 0.6° |
| C5 | C1 | C23 | C2 | 119.3° | 120.2° |
| C5 | C1 | C2 | C3 | 44.5° | 47.3° |
| C1 | C5 | C9 | H4 | 2.2° | 0.2° |
| C5 | C1 | C2 | H8 | 76.2° | 166.8° |
| C5 | C1 | C2 | H9 | 165.2° | 72.3° |
| C5 | C1 | C22 | H20 | 180.0° | 60.0° |
| C5 | C1 | C22 | H21 | 60.0° | 180.0° |
| C5 | C1 | C22 | H22 | 60.0° | 59.9° |
| C5 | C1 | C23 | H23 | 58.7° | 60.0° |
| C5 | C1 | C23 | H24 | 61.3° | 180.0° |
| C5 | C1 | C23 | H25 | 178.8° | 60.0° |
| C4 | N1 | C19 | C21 | 90.8° | 63.0° |
| C4 | N1 | C19 | C3 | 175.4° | 126.7° |
| C4 | N1 | C19 | C20 | 143.7° | 177.0° |
| C4 | N1 | C3 | C2 | 41.0° | 53.5° |
| N1 | C4 | C6 | H2 | 0.4° | 0.3° |
| C4 | N1 | C3 | H6 | 79.1° | 66.3° |
| C4 | N1 | C3 | H7 | 161.1° | 173.3° |
| C4 | N1 | C19 | H13 | 26.1° | 57.0° |
| C23 | C1 | C2 | C3 | 166.4° | 167.3° |
| C23 | C1 | C2 | H8 | 45.7° | 73.1° |
| C23 | C1 | C2 | H9 | 72.9° | 47.8° |
| C23 | C1 | C22 | H20 | 57.1° | 179.9° |
| C23 | C1 | C22 | H21 | 62.9° | 60.1° |
| C23 | C1 | C22 | H22 | 177.1° | 60.0° |
| C1 | C23 | H23 | H24 | 120.0° | 120.0° |
| C1 | C23 | H23 | H25 | 120.0° | 120.0° |
| C1 | C23 | H24 | H25 | 120.0° | 120.0° |
| C1 | C2 | C3 | N1 | 56.9° | 68.3° |
| C1 | C2 | C3 | H8 | 120.7° | 119.6° |
| C1 | C2 | C3 | H9 | 120.7° | 119.6° |
| C1 | C2 | C3 | H6 | 63.2° | 51.4° |
| C1 | C2 | C3 | H7 | 177.1° | 171.9° |
| C1 | C2 | H8 | H9 | 117.8° | 120.8° |
| C2 | C1 | C22 | H20 | 60.0° | 60.2° |
| C2 | C1 | C22 | H21 | 180.0° | 59.7° |
| C2 | C1 | C22 | H22 | 60.0° | 179.8° |
| C2 | C1 | C23 | H23 | 60.6° | 179.8° |
| C2 | C1 | C23 | H24 | 179.4° | 59.8° |
| C2 | C1 | C23 | H25 | 59.4° | 60.3° |
| C21 | C19 | N1 | C20 | 125.5° | 120.0° |
| C21 | C19 | N1 | H13 | 116.9° | 120.1° |
| C21 | C19 | N1 | C3 | 84.6° | 63.7° |
| C21 | C19 | C20 | H13 | 116.8° | 120.1° |
| C21 | C19 | C20 | H14 | 180.0° | 66.3° |
| C21 | C19 | C20 | H15 | 60.0° | 173.7° |
| C21 | C19 | C20 | H16 | 60.0° | 53.7° |
| C19 | C21 | H17 | H18 | 120.0° | 120.0° |
| C19 | C21 | H17 | H19 | 120.0° | 120.0° |
| C19 | C21 | H18 | H19 | 120.0° | 120.0° |
| N1 | C19 | C20 | H13 | 117.6° | 119.9° |
| C19 | N1 | C3 | C2 | 143.5° | 179.1° |
| C19 | N1 | C3 | H6 | 96.3° | 59.3° |
| C19 | N1 | C3 | H7 | 23.4° | 61.2° |
| N1 | C19 | C20 | H14 | 54.3° | 173.7° |
| N1 | C19 | C20 | H15 | 65.7° | 53.7° |
| N1 | C19 | C20 | H16 | 174.3° | 66.3° |
| N1 | C19 | C21 | H17 | 180.0° | 60.0° |
| N1 | C19 | C21 | H18 | 60.0° | 180.0° |
| N1 | C19 | C21 | H19 | 60.0° | 60.0° |
| C3 | N1 | C19 | C20 | 40.9° | 56.3° |
| N1 | C3 | C2 | H6 | 120.2° | 119.8° |
| N1 | C3 | C2 | H7 | 120.2° | 119.7° |
| N1 | C3 | H6 | H7 | 119.6° | 120.4° |
| N1 | C3 | C2 | H8 | 63.8° | 172.1° |
| N1 | C3 | C2 | H9 | 177.7° | 51.2° |
| C3 | N1 | C19 | H13 | 158.5° | 176.2° |
| C19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H16 | 120.0° | 120.0° |
| C19 | C20 | H15 | H16 | 120.0° | 120.1° |
| C20 | C19 | C21 | H17 | 53.7° | 180.0° |
| C20 | C19 | C21 | H18 | 66.3° | 60.0° |
| C20 | C19 | C21 | H19 | 173.7° | 59.9° |
| C2 | C3 | H6 | H7 | 119.5° | 120.4° |
| C3 | C2 | H8 | H9 | 117.8° | 120.8° |
| H1 | C14 | C13 | H5 | 1.1° | 0.0° |
| H2 | C6 | C7 | H3 | 1.9° | 0.0° |
| H6 | C3 | C2 | H8 | 176.0° | 68.2° |
| H6 | C3 | C2 | H9 | 57.5° | 171.0° |
| H7 | C3 | C2 | H8 | 56.4° | 52.3° |
| H7 | C3 | C2 | H9 | 62.2° | 68.5° |
| H10 | C16 | C17 | H11 | 0.3° | 0.0° |
| H13 | C19 | C20 | H14 | 63.2° | 53.8° |
| H13 | C19 | C20 | H15 | 176.8° | 66.2° |
| H13 | C19 | C20 | H16 | 56.8° | 173.7° |
| H13 | C19 | C21 | H17 | 63.1° | 60.0° |
| H13 | C19 | C21 | H18 | 176.9° | 60.0° |
| H13 | C19 | C21 | H19 | 56.9° | 180.0° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H17 | C21 | H18 | H19 | 120.0° | 120.0° |
| H20 | C22 | H21 | H22 | 120.0° | 120.0° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
