8G7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C9 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | doub | 1.31Å | 1.33Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C3 | sing | 1.53Å | 1.52Å | |
| C7 | C1 | sing | 1.51Å | 1.51Å | |
| C12 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | O1 | sing | 1.43Å | 1.48Å | |
| O | C | doub | 1.22Å | 1.22Å | |
| C1 | C | sing | 1.41Å | 1.46Å | |
| C1 | C2 | doub | 1.36Å | 1.35Å | |
| O1 | C2 | sing | 1.35Å | 1.36Å | |
| C | N1 | sing | 1.34Å | 1.38Å | |
| C2 | C13 | sing | 1.47Å | 1.44Å | |
| N1 | C18 | sing | 1.47Å | 1.46Å | |
| N1 | C14 | sing | 1.38Å | 1.38Å | |
| C13 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | N | sing | 1.33Å | 1.34Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| N | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| O2 | H20 | sing | 0.97Å | 0.95Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C9 | C10 | 114.6° | 120.0° |
| C11 | C9 | C8 | 122.5° | 120.0° |
| C9 | C11 | H22 | 109.5° | 109.5° |
| C9 | C11 | H23 | 109.5° | 109.5° |
| C9 | C11 | H24 | 109.5° | 109.4° |
| C10 | C9 | C8 | 122.8° | 120.0° |
| C9 | C10 | H2 | 109.5° | 109.4° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C9 | C8 | C7 | 127.3° | 120.0° |
| C9 | C8 | H21 | 116.3° | 120.0° |
| C8 | C7 | C6 | 108.5° | 109.4° |
| C8 | C7 | C1 | 112.0° | 109.4° |
| C8 | C7 | H1 | 110.5° | 109.4° |
| C7 | C8 | H21 | 116.4° | 120.0° |
| O2 | C5 | C4 | 111.1° | 109.4° |
| O2 | C5 | H12 | 109.0° | 109.5° |
| O2 | C5 | H13 | 109.1° | 109.5° |
| C5 | O2 | H20 | 109.5° | 113.9° |
| C7 | C6 | C3 | 112.4° | 108.2° |
| C6 | C7 | C1 | 105.4° | 109.7° |
| C6 | C7 | H1 | 109.9° | 109.5° |
| C7 | C6 | H10 | 108.7° | 109.7° |
| C7 | C6 | H11 | 108.8° | 109.7° |
| C6 | C3 | C12 | 112.3° | 109.7° |
| C6 | C3 | C4 | 110.4° | 109.8° |
| C6 | C3 | O1 | 106.5° | 108.3° |
| C3 | C6 | H10 | 108.7° | 109.8° |
| C3 | C6 | H11 | 108.7° | 109.7° |
| C7 | C1 | C | 119.1° | 118.8° |
| C7 | C1 | C2 | 121.3° | 121.4° |
| C1 | C7 | H1 | 110.5° | 109.4° |
| C12 | C3 | C4 | 111.8° | 109.6° |
| C12 | C3 | O1 | 110.4° | 109.7° |
| C3 | C12 | H5 | 109.5° | 109.5° |
| C3 | C12 | H6 | 109.5° | 109.5° |
| C3 | C12 | H7 | 109.5° | 109.4° |
| C3 | C4 | C5 | 116.0° | 109.5° |
| C4 | C3 | O1 | 105.1° | 109.7° |
| C3 | C4 | H14 | 107.8° | 109.4° |
| C3 | C4 | H15 | 107.8° | 109.5° |
| C4 | C5 | H12 | 109.1° | 109.5° |
| C4 | C5 | H13 | 109.1° | 109.5° |
| C5 | C4 | H14 | 107.8° | 109.5° |
| C5 | C4 | H15 | 107.8° | 109.5° |
| C3 | O1 | C2 | 120.1° | 118.1° |
| O | C | C1 | 123.4° | 118.9° |
| O | C | N1 | 119.2° | 118.9° |
| C | C1 | C2 | 119.5° | 119.8° |
| C1 | C | N1 | 117.3° | 122.2° |
| C1 | C2 | O1 | 124.3° | 122.4° |
| C1 | C2 | C13 | 122.2° | 118.3° |
| O1 | C2 | C13 | 113.6° | 119.3° |
| C | N1 | C18 | 117.2° | 119.4° |
| C | N1 | C14 | 123.4° | 121.2° |
| C2 | C13 | C14 | 118.0° | 119.3° |
| C2 | C13 | C17 | 124.3° | 121.2° |
| C18 | N1 | C14 | 119.4° | 119.4° |
| N1 | C18 | H16 | 109.5° | 109.5° |
| N1 | C18 | H17 | 109.5° | 109.5° |
| N1 | C18 | H18 | 109.5° | 109.4° |
| N1 | C14 | C13 | 119.6° | 119.2° |
| N1 | C14 | N | 117.4° | 120.9° |
| C14 | C13 | C17 | 117.8° | 119.5° |
| C13 | C14 | N | 123.0° | 119.9° |
| C13 | C17 | C16 | 119.2° | 118.0° |
| C13 | C17 | H19 | 120.4° | 121.0° |
| C14 | N | C15 | 117.5° | 121.6° |
| C17 | C16 | C15 | 118.7° | 119.5° |
| C17 | C16 | H9 | 120.7° | 120.3° |
| C16 | C17 | H19 | 120.4° | 121.0° |
| N | C15 | C16 | 123.8° | 121.5° |
| N | C15 | H8 | 118.1° | 119.2° |
| C16 | C15 | H8 | 118.1° | 119.2° |
| C15 | C16 | H9 | 120.7° | 120.2° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H7 | 109.4° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.7° |
| H12 | C5 | H13 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H16 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H22 | C11 | H24 | 109.4° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C9 | C10 | C8 | 179.9° | 180.0° |
| C11 | C9 | C8 | C7 | 11.4° | 174.9° |
| C11 | C9 | C10 | H2 | 180.0° | 95.1° |
| C11 | C9 | C10 | H3 | 60.0° | 25.0° |
| C11 | C9 | C10 | H4 | 60.0° | 145.0° |
| C11 | C9 | C8 | H21 | 168.6° | 5.1° |
| C9 | C11 | H22 | H23 | 120.0° | 120.0° |
| C9 | C11 | H22 | H24 | 120.0° | 119.9° |
| C9 | C11 | H23 | H24 | 120.0° | 120.0° |
| C10 | C9 | C8 | C7 | 168.5° | 5.1° |
| C9 | C10 | H2 | H3 | 120.0° | 120.0° |
| C9 | C10 | H2 | H4 | 120.0° | 120.0° |
| C9 | C10 | H3 | H4 | 120.0° | 120.0° |
| C10 | C9 | C8 | H21 | 11.5° | 174.9° |
| C10 | C9 | C11 | H22 | 180.0° | 90.0° |
| C10 | C9 | C11 | H23 | 60.0° | 30.0° |
| C10 | C9 | C11 | H24 | 60.0° | 150.0° |
| C9 | C8 | C7 | H21 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 115.6° | 122.7° |
| C9 | C8 | C7 | C1 | 128.5° | 117.1° |
| C9 | C8 | C7 | H1 | 4.8° | 2.8° |
| C8 | C9 | C10 | H2 | 0.1° | 84.9° |
| C8 | C9 | C10 | H3 | 119.9° | 155.0° |
| C8 | C9 | C10 | H4 | 120.1° | 35.0° |
| C8 | C9 | C11 | H22 | 0.1° | 90.0° |
| C8 | C9 | C11 | H23 | 120.1° | 150.0° |
| C8 | C9 | C11 | H24 | 119.9° | 30.0° |
| C8 | C7 | C6 | C1 | 120.1° | 120.1° |
| C8 | C7 | C6 | H1 | 120.8° | 119.9° |
| C8 | C7 | C6 | C3 | 176.5° | 167.9° |
| C8 | C7 | C1 | H1 | 123.6° | 119.8° |
| C8 | C7 | C1 | C | 38.1° | 42.0° |
| C8 | C7 | C1 | C2 | 140.8° | 138.2° |
| C8 | C7 | C6 | H10 | 56.1° | 72.3° |
| C8 | C7 | C6 | H11 | 63.0° | 48.3° |
| O2 | C5 | C4 | C3 | 95.2° | 180.0° |
| O2 | C5 | C4 | H12 | 120.2° | 120.0° |
| O2 | C5 | C4 | H13 | 120.3° | 120.0° |
| O2 | C5 | H12 | H13 | 119.2° | 120.0° |
| O2 | C5 | C4 | H14 | 143.8° | 60.0° |
| O2 | C5 | C4 | H15 | 25.7° | 60.0° |
| C7 | C6 | C3 | H10 | 120.4° | 119.7° |
| C7 | C6 | C3 | H11 | 120.5° | 119.7° |
| C6 | C7 | C1 | H1 | 118.6° | 120.1° |
| C7 | C6 | C3 | C12 | 60.5° | 56.0° |
| C7 | C6 | C3 | C4 | 174.1° | 176.5° |
| C7 | C6 | C3 | O1 | 60.5° | 63.7° |
| C6 | C7 | C1 | C | 155.9° | 162.1° |
| C6 | C7 | C1 | C2 | 23.0° | 18.2° |
| C7 | C6 | H10 | H11 | 118.7° | 120.6° |
| C6 | C7 | C8 | H21 | 64.4° | 57.3° |
| C3 | C6 | C7 | C1 | 56.4° | 47.9° |
| C6 | C3 | C12 | C4 | 124.7° | 120.6° |
| C6 | C3 | C12 | O1 | 118.7° | 118.8° |
| C6 | C3 | C4 | O1 | 114.4° | 118.9° |
| C6 | C3 | C4 | C5 | 171.4° | 178.8° |
| C6 | C3 | O1 | C2 | 30.5° | 48.6° |
| C3 | C6 | C7 | H1 | 62.6° | 72.2° |
| C6 | C3 | C12 | H5 | 180.0° | 178.8° |
| C6 | C3 | C12 | H6 | 60.0° | 61.2° |
| C6 | C3 | C12 | H7 | 60.0° | 58.8° |
| C3 | C6 | H10 | H11 | 118.7° | 120.6° |
| C6 | C3 | C4 | H14 | 67.6° | 58.9° |
| C6 | C3 | C4 | H15 | 50.4° | 61.1° |
| C7 | C1 | C | O | 5.9° | 0.6° |
| C7 | C1 | C | C2 | 178.9° | 179.7° |
| C7 | C1 | C2 | O1 | 5.3° | 1.0° |
| C7 | C1 | C | N1 | 176.8° | 179.4° |
| C7 | C1 | C2 | C13 | 176.9° | 179.4° |
| C1 | C7 | C6 | H10 | 64.0° | 167.6° |
| C1 | C7 | C6 | H11 | 176.8° | 71.8° |
| C1 | C7 | C8 | H21 | 51.5° | 63.0° |
| C12 | C3 | C4 | O1 | 119.8° | 120.5° |
| C12 | C3 | C4 | C5 | 45.6° | 60.6° |
| C12 | C3 | O1 | C2 | 91.7° | 71.1° |
| C3 | C12 | H5 | H6 | 120.0° | 120.0° |
| C3 | C12 | H5 | H7 | 120.0° | 120.0° |
| C3 | C12 | H6 | H7 | 120.0° | 120.0° |
| C12 | C3 | C6 | H10 | 179.1° | 63.8° |
| C12 | C3 | C6 | H11 | 60.0° | 175.6° |
| C12 | C3 | C4 | H14 | 166.6° | 179.4° |
| C12 | C3 | C4 | H15 | 75.3° | 59.4° |
| C3 | C4 | C5 | H14 | 121.0° | 120.0° |
| C3 | C4 | C5 | H15 | 120.9° | 120.0° |
| C4 | C3 | O1 | C2 | 147.6° | 168.4° |
| C4 | C3 | C12 | H5 | 55.3° | 60.6° |
| C4 | C3 | C12 | H6 | 64.7° | 59.4° |
| C4 | C3 | C12 | H7 | 175.3° | 179.4° |
| C4 | C3 | C6 | H10 | 53.7° | 56.8° |
| C4 | C3 | C6 | H11 | 65.5° | 63.8° |
| C3 | C4 | C5 | H12 | 144.5° | 60.0° |
| C3 | C4 | C5 | H13 | 25.0° | 60.0° |
| C3 | C4 | H14 | H15 | 117.0° | 120.0° |
| C5 | C4 | C3 | O1 | 74.2° | 59.9° |
| C4 | C5 | H12 | H13 | 119.3° | 120.0° |
| C5 | C4 | H14 | H15 | 117.0° | 120.0° |
| C4 | C5 | O2 | H20 | 180.0° | 180.0° |
| C3 | O1 | C2 | C1 | 1.5° | 17.3° |
| C3 | O1 | C2 | C13 | 179.5° | 163.1° |
| O1 | C3 | C12 | H5 | 61.3° | 60.0° |
| O1 | C3 | C12 | H6 | 178.7° | 180.0° |
| O1 | C3 | C12 | H7 | 58.7° | 60.0° |
| O1 | C3 | C6 | H10 | 59.9° | 176.6° |
| O1 | C3 | C6 | H11 | 179.0° | 55.9° |
| O1 | C3 | C4 | H14 | 46.8° | 60.0° |
| O1 | C3 | C4 | H15 | 164.9° | 180.0° |
| O | C | C1 | N1 | 177.3° | 180.0° |
| O | C | C1 | C2 | 175.2° | 179.7° |
| O | C | N1 | C18 | 3.7° | 0.1° |
| O | C | N1 | C14 | 176.4° | 179.9° |
| C | C1 | C2 | O1 | 175.8° | 179.3° |
| C | C1 | C2 | C13 | 2.0° | 0.4° |
| C1 | C | N1 | C18 | 178.9° | 180.0° |
| C1 | C | N1 | C14 | 1.1° | 0.0° |
| C | C1 | C7 | H1 | 85.5° | 77.8° |
| C1 | C2 | O1 | C13 | 178.0° | 179.7° |
| C2 | C1 | C | N1 | 2.1° | 0.3° |
| C1 | C2 | C13 | C14 | 0.7° | 0.2° |
| C1 | C2 | C13 | C17 | 179.6° | 179.8° |
| C2 | C1 | C7 | H1 | 95.6° | 101.9° |
| O1 | C2 | C13 | C14 | 177.3° | 179.5° |
| O1 | C2 | C13 | C17 | 2.4° | 0.6° |
| C | N1 | C18 | C14 | 179.9° | 180.0° |
| C | N1 | C14 | C13 | 0.2° | 0.1° |
| C | N1 | C14 | N | 179.7° | 179.9° |
| C | N1 | C18 | H16 | 180.0° | 0.0° |
| C | N1 | C18 | H17 | 60.0° | 120.0° |
| C | N1 | C18 | H18 | 60.0° | 120.0° |
| C2 | C13 | C14 | N1 | 0.4° | 0.1° |
| C2 | C13 | C14 | C17 | 179.7° | 180.0° |
| C2 | C13 | C14 | N | 179.9° | 180.0° |
| C2 | C13 | C17 | C16 | 179.7° | 180.0° |
| C2 | C13 | C17 | H19 | 0.2° | 0.0° |
| C18 | N1 | C14 | C13 | 179.9° | 179.9° |
| C18 | N1 | C14 | N | 0.4° | 0.1° |
| N1 | C18 | H16 | H17 | 120.0° | 120.0° |
| N1 | C18 | H16 | H18 | 120.0° | 120.0° |
| N1 | C18 | H17 | H18 | 120.0° | 120.0° |
| N1 | C14 | C13 | N | 179.5° | 179.9° |
| N1 | C14 | C13 | C17 | 179.3° | 180.0° |
| N1 | C14 | N | C15 | 179.3° | 180.0° |
| C14 | N1 | C18 | H16 | 0.1° | 180.0° |
| C14 | N1 | C18 | H17 | 120.1° | 60.0° |
| C14 | N1 | C18 | H18 | 119.9° | 60.0° |
| C14 | C13 | C17 | C16 | 0.0° | 0.1° |
| C13 | C14 | N | C15 | 0.2° | 0.1° |
| C14 | C13 | C17 | H19 | 179.9° | 180.0° |
| C17 | C13 | C14 | N | 0.2° | 0.1° |
| C13 | C17 | C16 | H19 | 180.0° | 179.9° |
| C13 | C17 | C16 | C15 | 0.1° | 0.1° |
| C13 | C17 | C16 | H9 | 179.9° | 180.0° |
| C14 | N | C15 | C16 | 0.0° | 0.1° |
| C14 | N | C15 | H8 | 179.9° | 180.0° |
| C17 | C16 | C15 | N | 0.1° | 0.1° |
| C17 | C16 | C15 | H9 | 180.0° | 179.9° |
| C17 | C16 | C15 | H8 | 179.9° | 180.0° |
| N | C15 | C16 | H8 | 180.0° | 179.9° |
| N | C15 | C16 | H9 | 179.9° | 180.0° |
| C15 | C16 | C17 | H19 | 179.9° | 180.0° |
| H1 | C7 | C6 | H10 | 177.0° | 47.6° |
| H1 | C7 | C6 | H11 | 57.8° | 168.1° |
| H1 | C7 | C8 | H21 | 175.2° | 177.2° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H5 | C12 | H6 | H7 | 120.0° | 120.0° |
| H8 | C15 | C16 | H9 | 0.1° | 0.1° |
| H9 | C16 | C17 | H19 | 0.1° | 0.1° |
| H12 | C5 | C4 | H14 | 23.6° | 180.0° |
| H12 | C5 | C4 | H15 | 94.5° | 60.0° |
| H12 | C5 | O2 | H20 | 59.8° | 60.0° |
| H13 | C5 | C4 | H14 | 95.9° | 60.0° |
| H13 | C5 | C4 | H15 | 146.0° | 180.0° |
| H13 | C5 | O2 | H20 | 59.7° | 60.0° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
| H22 | C11 | H23 | H24 | 120.0° | 120.0° |
