C8G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C10 | doub | 1.21Å | 1.24Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C13 | sing | 1.47Å | 1.47Å | |
| N3 | C9 | sing | 1.47Å | 1.46Å | |
| C13 | C8 | sing | 1.54Å | 1.49Å | |
| C9 | C8 | sing | 1.54Å | 1.56Å | |
| C8 | N2 | sing | 1.47Å | 1.48Å | |
| C7 | N2 | sing | 1.47Å | 1.48Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| N2 | C14 | sing | 1.47Å | 1.45Å | |
| C6 | N1 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N1 | C15 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| O2 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| CL1 | C17 | sing | 1.74Å | 1.79Å | |
| C4 | N | sing | 1.46Å | 1.46Å | |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C | sing | 1.38Å | 1.44Å | Aromatic |
| N | C3 | sing | 1.40Å | 1.35Å | |
| C3 | C2 | doub | 1.39Å | 1.46Å | Aromatic |
| C | CL | sing | 1.74Å | 1.75Å | |
| C | C1 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O | sing | 1.36Å | 1.36Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| O | H19 | sing | 0.97Å | 0.95Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| N | H21 | sing | 0.97Å | 1.00Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C10 | C11 | 119.4° | 120.0° |
| O1 | C10 | N3 | 120.7° | 120.0° |
| C12 | C11 | C10 | 107.7° | 109.4° |
| C12 | C11 | H9 | 109.9° | 109.5° |
| C12 | C11 | H10 | 109.9° | 109.4° |
| C11 | C12 | H11 | 109.5° | 109.4° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| C11 | C10 | N3 | 119.8° | 120.0° |
| C10 | C11 | H9 | 109.9° | 109.5° |
| C10 | C11 | H10 | 109.9° | 109.5° |
| C10 | N3 | C13 | 129.1° | 136.0° |
| C10 | N3 | C9 | 131.4° | 136.0° |
| C13 | N3 | C9 | 95.3° | 87.9° |
| N3 | C13 | C8 | 88.5° | 88.0° |
| N3 | C13 | H14 | 114.4° | 113.5° |
| N3 | C13 | H15 | 114.4° | 113.5° |
| N3 | C9 | C8 | 85.9° | 88.0° |
| N3 | C9 | H7 | 115.0° | 113.5° |
| N3 | C9 | H8 | 115.0° | 113.5° |
| C13 | C8 | C9 | 90.3° | 83.3° |
| C13 | C8 | N2 | 112.2° | 114.2° |
| C8 | C13 | H14 | 114.4° | 113.5° |
| C8 | C13 | H15 | 114.4° | 113.4° |
| C13 | C8 | H25 | 113.7° | 114.2° |
| C9 | C8 | N2 | 112.1° | 114.2° |
| C8 | C9 | H7 | 115.0° | 113.4° |
| C8 | C9 | H8 | 115.0° | 113.4° |
| C9 | C8 | H25 | 112.5° | 114.2° |
| C8 | N2 | C7 | 121.8° | 111.0° |
| C8 | N2 | C14 | 112.4° | 111.0° |
| N2 | C8 | H25 | 113.9° | 113.4° |
| N2 | C7 | C6 | 112.7° | 109.3° |
| C7 | N2 | C14 | 115.5° | 111.3° |
| N2 | C7 | H5 | 108.7° | 109.5° |
| N2 | C7 | H6 | 108.6° | 109.4° |
| C7 | C6 | N1 | 109.9° | 108.6° |
| C7 | C6 | H3 | 109.4° | 109.6° |
| C7 | C6 | H4 | 109.4° | 109.8° |
| C6 | C7 | H5 | 108.6° | 109.5° |
| C6 | C7 | H6 | 108.7° | 109.5° |
| N2 | C14 | C15 | 114.2° | 109.4° |
| N2 | C14 | H16 | 108.3° | 109.5° |
| N2 | C14 | H17 | 108.3° | 109.5° |
| C6 | N1 | C15 | 117.0° | 118.2° |
| C6 | N1 | C5 | 120.2° | 120.9° |
| N1 | C6 | H3 | 109.4° | 109.6° |
| N1 | C6 | H4 | 109.3° | 109.6° |
| C14 | C15 | N1 | 112.6° | 108.5° |
| C15 | C14 | H16 | 108.3° | 109.5° |
| C15 | C14 | H17 | 108.3° | 109.5° |
| C14 | C15 | H22 | 108.7° | 109.6° |
| C14 | C15 | H23 | 108.7° | 109.7° |
| C15 | N1 | C5 | 122.1° | 120.8° |
| N1 | C15 | H22 | 108.7° | 109.6° |
| N1 | C15 | H23 | 108.7° | 109.7° |
| N1 | C5 | O2 | 121.1° | 120.0° |
| N1 | C5 | C4 | 116.3° | 120.0° |
| O2 | C5 | C4 | 122.5° | 120.0° |
| C5 | C4 | N | 108.4° | 109.5° |
| C5 | C4 | H1 | 109.7° | 109.5° |
| C5 | C4 | H2 | 109.7° | 109.5° |
| CL1 | C17 | C16 | 116.3° | 119.9° |
| CL1 | C17 | C | 124.6° | 120.0° |
| C4 | N | C3 | 118.3° | 120.0° |
| N | C4 | H1 | 109.7° | 109.5° |
| N | C4 | H2 | 109.8° | 109.4° |
| C4 | N | H21 | 107.2° | 120.0° |
| C17 | C16 | C3 | 120.7° | 120.0° |
| C16 | C17 | C | 119.0° | 120.1° |
| C17 | C16 | H18 | 119.6° | 120.0° |
| C16 | C3 | N | 122.2° | 120.1° |
| C16 | C3 | C2 | 118.8° | 119.8° |
| C3 | C16 | H18 | 119.6° | 120.0° |
| C17 | C | CL | 115.0° | 119.9° |
| C17 | C | C1 | 122.5° | 120.2° |
| N | C3 | C2 | 119.0° | 120.1° |
| C3 | N | H21 | 107.2° | 119.9° |
| C3 | C2 | C1 | 120.4° | 119.9° |
| C3 | C2 | O | 120.8° | 120.1° |
| CL | C | C1 | 122.4° | 119.9° |
| C | C1 | C2 | 118.3° | 120.0° |
| C | C1 | H20 | 120.8° | 120.0° |
| C1 | C2 | O | 118.6° | 120.0° |
| C2 | C1 | H20 | 120.9° | 120.0° |
| C2 | O | H19 | 109.5° | 114.0° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.7° |
| H5 | C7 | H6 | 109.5° | 109.6° |
| H7 | C9 | H8 | 109.5° | 112.8° |
| H9 | C11 | H10 | 109.4° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H14 | C13 | H15 | 109.5° | 112.8° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C10 | C11 | C12 | 62.8° | 0.0° |
| O1 | C10 | C11 | N3 | 176.4° | 180.0° |
| O1 | C10 | N3 | C13 | 6.5° | 0.0° |
| O1 | C10 | N3 | C9 | 157.7° | 179.6° |
| O1 | C10 | C11 | H9 | 177.4° | 120.0° |
| O1 | C10 | C11 | H10 | 56.9° | 120.0° |
| C12 | C11 | C10 | H9 | 119.7° | 120.0° |
| C12 | C11 | C10 | H10 | 119.7° | 120.0° |
| C12 | C11 | C10 | N3 | 113.5° | 180.0° |
| C12 | C11 | H9 | H10 | 120.8° | 120.0° |
| C11 | C12 | H11 | H12 | 120.0° | 120.0° |
| C11 | C12 | H11 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C11 | C10 | N3 | C13 | 169.9° | 180.0° |
| C11 | C10 | N3 | C9 | 18.6° | 0.4° |
| C10 | C11 | H9 | H10 | 120.8° | 120.1° |
| C10 | C11 | C12 | H11 | 180.0° | 60.0° |
| C10 | C11 | C12 | H12 | 60.0° | 60.0° |
| C10 | C11 | C12 | H13 | 60.0° | 180.0° |
| C10 | N3 | C13 | C9 | 158.7° | 179.7° |
| C10 | N3 | C13 | C8 | 159.5° | 153.1° |
| C10 | N3 | C9 | C8 | 158.7° | 153.1° |
| C10 | N3 | C9 | H7 | 43.0° | 38.4° |
| C10 | N3 | C9 | H8 | 85.6° | 92.1° |
| N3 | C10 | C11 | H9 | 6.2° | 60.1° |
| N3 | C10 | C11 | H10 | 126.7° | 60.0° |
| C10 | N3 | C13 | H14 | 84.3° | 92.1° |
| C10 | N3 | C13 | H15 | 43.2° | 38.4° |
| N3 | C13 | C8 | H14 | 116.2° | 114.8° |
| N3 | C13 | C8 | H15 | 116.2° | 114.8° |
| C13 | N3 | C9 | C8 | 0.7° | 27.1° |
| N3 | C13 | C8 | N2 | 113.4° | 139.7° |
| C13 | N3 | C9 | H7 | 115.0° | 141.9° |
| C13 | N3 | C9 | H8 | 116.4° | 87.6° |
| N3 | C13 | H14 | H15 | 130.0° | 130.8° |
| N3 | C13 | C8 | H25 | 115.5° | 87.6° |
| N3 | C9 | C8 | H7 | 115.7° | 114.8° |
| N3 | C9 | C8 | H8 | 115.7° | 114.8° |
| N3 | C9 | C8 | N2 | 113.5° | 139.6° |
| N3 | C9 | H7 | H8 | 131.3° | 130.9° |
| C9 | N3 | C13 | H14 | 117.0° | 87.6° |
| C9 | N3 | C13 | H15 | 115.5° | 141.9° |
| N3 | C9 | C8 | H25 | 116.6° | 87.5° |
| C13 | C8 | C9 | N2 | 114.2° | 113.6° |
| C13 | C8 | C9 | H25 | 115.9° | 113.6° |
| C13 | C8 | N2 | H25 | 131.0° | 133.2° |
| C13 | C8 | N2 | C7 | 47.7° | 96.4° |
| C13 | C8 | N2 | C14 | 168.7° | 27.9° |
| C13 | C8 | C9 | H7 | 115.1° | 140.9° |
| C13 | C8 | C9 | H8 | 116.4° | 88.8° |
| C8 | C13 | H14 | H15 | 130.0° | 130.8° |
| C9 | C8 | N2 | H25 | 129.1° | 133.3° |
| C9 | C8 | N2 | C7 | 52.2° | 170.0° |
| C9 | C8 | N2 | C14 | 91.4° | 65.7° |
| C8 | C9 | H7 | H8 | 131.3° | 130.7° |
| C9 | C8 | C13 | H14 | 116.9° | 88.7° |
| C9 | C8 | C13 | H15 | 115.6° | 140.8° |
| C8 | N2 | C7 | C14 | 142.6° | 124.2° |
| C8 | N2 | C7 | C6 | 166.7° | 172.7° |
| C8 | N2 | C14 | C15 | 167.3° | 172.8° |
| C8 | N2 | C7 | H5 | 72.8° | 52.8° |
| C8 | N2 | C7 | H6 | 46.2° | 67.3° |
| N2 | C8 | C9 | H7 | 130.7° | 105.6° |
| N2 | C8 | C9 | H8 | 2.2° | 24.8° |
| N2 | C8 | C13 | H14 | 2.8° | 24.9° |
| N2 | C8 | C13 | H15 | 130.4° | 105.6° |
| C8 | N2 | C14 | H16 | 46.6° | 67.3° |
| C8 | N2 | C14 | H17 | 72.1° | 52.8° |
| N2 | C7 | C6 | H5 | 120.5° | 119.9° |
| N2 | C7 | C6 | H6 | 120.5° | 119.9° |
| N2 | C7 | C6 | N1 | 50.0° | 53.8° |
| C7 | N2 | C14 | C15 | 46.7° | 63.1° |
| N2 | C7 | C6 | H3 | 170.1° | 173.5° |
| N2 | C7 | C6 | H4 | 70.1° | 66.0° |
| N2 | C7 | H5 | H6 | 118.5° | 120.0° |
| C7 | N2 | C14 | H16 | 167.4° | 56.9° |
| C7 | N2 | C14 | H17 | 74.0° | 176.9° |
| C7 | N2 | C8 | H25 | 178.7° | 36.7° |
| C6 | C7 | N2 | C14 | 50.7° | 63.1° |
| C7 | C6 | N1 | H3 | 120.1° | 119.6° |
| C7 | C6 | N1 | H4 | 120.1° | 119.9° |
| C7 | C6 | N1 | C15 | 49.9° | 51.2° |
| C7 | C6 | N1 | C5 | 139.3° | 128.7° |
| C7 | C6 | H3 | H4 | 119.8° | 120.6° |
| C6 | C7 | H5 | H6 | 118.5° | 120.2° |
| N2 | C14 | C15 | H16 | 120.7° | 120.0° |
| N2 | C14 | C15 | H17 | 120.7° | 120.0° |
| N2 | C14 | C15 | N1 | 43.1° | 53.8° |
| C14 | N2 | C7 | H5 | 69.8° | 177.0° |
| C14 | N2 | C7 | H6 | 171.2° | 56.8° |
| N2 | C14 | H16 | H17 | 117.8° | 120.1° |
| N2 | C14 | C15 | H22 | 77.3° | 65.9° |
| N2 | C14 | C15 | H23 | 163.6° | 173.5° |
| C14 | N2 | C8 | H25 | 37.7° | 161.1° |
| C6 | N1 | C15 | C14 | 46.6° | 51.1° |
| C6 | N1 | C15 | C5 | 170.6° | 179.9° |
| C6 | N1 | C5 | O2 | 9.2° | 0.1° |
| C6 | N1 | C5 | C4 | 172.2° | 180.0° |
| N1 | C6 | H3 | H4 | 119.8° | 120.4° |
| N1 | C6 | C7 | H5 | 70.5° | 173.8° |
| N1 | C6 | C7 | H6 | 170.4° | 66.0° |
| C6 | N1 | C15 | H22 | 73.9° | 68.6° |
| C6 | N1 | C15 | H23 | 167.0° | 170.9° |
| C14 | C15 | N1 | H22 | 120.5° | 119.6° |
| C14 | C15 | N1 | H23 | 120.4° | 119.8° |
| C14 | C15 | N1 | C5 | 142.8° | 128.8° |
| C15 | C14 | H16 | H17 | 117.9° | 120.0° |
| C14 | C15 | H22 | H23 | 118.6° | 120.5° |
| C15 | N1 | C5 | O2 | 179.5° | 180.0° |
| C15 | N1 | C5 | C4 | 1.9° | 0.1° |
| C15 | N1 | C6 | H3 | 170.0° | 170.8° |
| C15 | N1 | C6 | H4 | 70.1° | 68.8° |
| N1 | C15 | C14 | H16 | 163.8° | 66.2° |
| N1 | C15 | C14 | H17 | 77.5° | 173.8° |
| N1 | C15 | H22 | H23 | 118.6° | 120.5° |
| N1 | C5 | O2 | C4 | 178.4° | 180.0° |
| N1 | C5 | C4 | N | 145.7° | 180.0° |
| N1 | C5 | C4 | H1 | 25.9° | 60.0° |
| N1 | C5 | C4 | H2 | 94.4° | 60.1° |
| C5 | N1 | C6 | H3 | 19.2° | 9.1° |
| C5 | N1 | C6 | H4 | 100.6° | 111.3° |
| C5 | N1 | C15 | H22 | 96.7° | 111.6° |
| C5 | N1 | C15 | H23 | 22.4° | 9.0° |
| O2 | C5 | C4 | N | 35.7° | 0.0° |
| O2 | C5 | C4 | H1 | 155.6° | 120.0° |
| O2 | C5 | C4 | H2 | 84.1° | 120.0° |
| C5 | C4 | N | H1 | 119.9° | 120.0° |
| C5 | C4 | N | H2 | 119.9° | 120.0° |
| C5 | C4 | N | C3 | 81.3° | 180.0° |
| C5 | C4 | H1 | H2 | 120.5° | 120.0° |
| C5 | C4 | N | H21 | 157.5° | 0.0° |
| CL1 | C17 | C16 | C | 178.4° | 179.7° |
| CL1 | C17 | C16 | C3 | 176.8° | 180.0° |
| CL1 | C17 | C | CL | 2.6° | 0.3° |
| CL1 | C17 | C | C1 | 174.3° | 179.7° |
| CL1 | C17 | C16 | H18 | 3.2° | 0.2° |
| C4 | N | C3 | C16 | 10.6° | 0.0° |
| C4 | N | C3 | H21 | 121.3° | 180.0° |
| C4 | N | C3 | C2 | 169.8° | 180.0° |
| N | C4 | H1 | H2 | 120.5° | 120.0° |
| C17 | C16 | C3 | H18 | 180.0° | 179.8° |
| C17 | C16 | C3 | N | 179.3° | 180.0° |
| C17 | C16 | C3 | C2 | 1.1° | 0.1° |
| C16 | C17 | C | CL | 179.2° | 180.0° |
| C16 | C17 | C | C1 | 3.9° | 0.6° |
| C3 | C16 | C17 | C | 1.6° | 0.2° |
| C16 | C3 | N | C2 | 179.6° | 179.9° |
| C16 | C3 | C2 | C1 | 2.7° | 0.0° |
| C16 | C3 | C2 | O | 177.5° | 179.7° |
| C16 | C3 | N | H21 | 131.9° | 180.0° |
| C17 | C | CL | C1 | 176.9° | 179.4° |
| C17 | C | C1 | C2 | 5.4° | 0.7° |
| C | C17 | C16 | H18 | 178.4° | 179.9° |
| C17 | C | C1 | H20 | 174.6° | 179.5° |
| N | C3 | C2 | C1 | 177.7° | 179.9° |
| N | C3 | C2 | O | 2.9° | 0.3° |
| C3 | N | C4 | H1 | 38.6° | 60.0° |
| C3 | N | C4 | H2 | 158.9° | 60.0° |
| N | C3 | C16 | H18 | 0.7° | 0.2° |
| C3 | C2 | C1 | C | 4.8° | 0.4° |
| C3 | C2 | C1 | O | 174.9° | 179.6° |
| C2 | C3 | C16 | H18 | 178.9° | 179.8° |
| C3 | C2 | O | H19 | 180.0° | 90.2° |
| C3 | C2 | C1 | H20 | 175.2° | 179.8° |
| C2 | C3 | N | H21 | 48.5° | 0.0° |
| CL | C | C1 | C2 | 177.9° | 180.0° |
| CL | C | C1 | H20 | 2.1° | 0.1° |
| C | C1 | C2 | H20 | 180.0° | 179.8° |
| C | C1 | C2 | O | 179.7° | 180.0° |
| C1 | C2 | O | H19 | 5.1° | 90.1° |
| O | C2 | C1 | H20 | 0.3° | 0.1° |
| H1 | C4 | N | H21 | 82.6° | 120.0° |
| H2 | C4 | N | H21 | 37.6° | 120.0° |
| H3 | C6 | C7 | H5 | 49.6° | 66.6° |
| H3 | C6 | C7 | H6 | 69.5° | 53.6° |
| H4 | C6 | C7 | H5 | 169.4° | 53.9° |
| H4 | C6 | C7 | H6 | 50.4° | 174.1° |
| H7 | C9 | C8 | H25 | 0.9° | 27.3° |
| H8 | C9 | C8 | H25 | 127.7° | 157.7° |
| H9 | C11 | C12 | H11 | 60.3° | 60.0° |
| H9 | C11 | C12 | H12 | 59.8° | 180.0° |
| H9 | C11 | C12 | H13 | 179.7° | 60.0° |
| H10 | C11 | C12 | H11 | 60.3° | 180.0° |
| H10 | C11 | C12 | H12 | 179.7° | 60.0° |
| H10 | C11 | C12 | H13 | 59.8° | 60.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.1° |
| H14 | C13 | C8 | H25 | 128.2° | 157.7° |
| H15 | C13 | C8 | H25 | 0.7° | 27.2° |
| H16 | C14 | C15 | H22 | 43.4° | 174.1° |
| H16 | C14 | C15 | H23 | 75.7° | 53.6° |
| H17 | C14 | C15 | H22 | 162.0° | 54.1° |
| H17 | C14 | C15 | H23 | 42.9° | 66.4° |
