6K8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C6 | doub | 1.21Å | 1.23Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| N4 | C7 | sing | 1.46Å | 1.45Å | |
| N4 | C8 | sing | 1.35Å | 1.33Å | |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N3 | sing | 1.35Å | 1.33Å | |
| C8 | C9 | sing | 1.48Å | 1.50Å | |
| C8 | O2 | doub | 1.22Å | 1.24Å | |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.47Å | 1.45Å | |
| N | C | doub | 1.30Å | 1.31Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | N2 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| O1 | C5 | doub | 1.21Å | 1.19Å | |
| C | N2 | sing | 1.38Å | 1.34Å | |
| C | N1 | sing | 1.37Å | 1.33Å | |
| C5 | O | sing | 1.34Å | 1.30Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C10 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C6 | C7 | 121.6° | 120.0° |
| O3 | C6 | N3 | 123.6° | 120.0° |
| C13 | C14 | C9 | 120.2° | 119.9° |
| C14 | C13 | C12 | 120.3° | 120.2° |
| C13 | C14 | H18 | 119.9° | 120.1° |
| C14 | C13 | H19 | 119.8° | 120.0° |
| C14 | C9 | C8 | 121.2° | 120.1° |
| C14 | C9 | C10 | 119.0° | 119.7° |
| C9 | C14 | H18 | 119.9° | 120.1° |
| C7 | N4 | C8 | 121.1° | 120.0° |
| N4 | C7 | C6 | 113.4° | 109.5° |
| N4 | C7 | H15 | 108.5° | 109.5° |
| N4 | C7 | H16 | 108.5° | 109.5° |
| C7 | N4 | H17 | 119.4° | 120.0° |
| N4 | C8 | C9 | 116.9° | 120.0° |
| N4 | C8 | O2 | 122.0° | 120.0° |
| C8 | N4 | H17 | 119.4° | 120.0° |
| C13 | C12 | C11 | 120.1° | 120.3° |
| C12 | C13 | H19 | 119.8° | 119.9° |
| C13 | C12 | H20 | 119.9° | 119.9° |
| C7 | C6 | N3 | 114.7° | 120.0° |
| C6 | C7 | H15 | 108.5° | 109.4° |
| C6 | C7 | H16 | 108.5° | 109.4° |
| C6 | N3 | C4 | 120.6° | 120.0° |
| C6 | N3 | H5 | 119.7° | 120.0° |
| C9 | C8 | O2 | 121.1° | 120.0° |
| C8 | C9 | C10 | 119.8° | 120.1° |
| C9 | C10 | C11 | 120.3° | 119.8° |
| C9 | C10 | H22 | 119.9° | 120.1° |
| C12 | C11 | C10 | 120.2° | 120.2° |
| C11 | C12 | H20 | 120.0° | 119.8° |
| C12 | C11 | H21 | 119.9° | 119.9° |
| N3 | C4 | C5 | 110.7° | 109.5° |
| N3 | C4 | C3 | 111.0° | 109.4° |
| C4 | N3 | H5 | 119.7° | 120.0° |
| N3 | C4 | H6 | 108.3° | 109.4° |
| N | C | N2 | 119.2° | 120.0° |
| N | C | N1 | 121.8° | 120.0° |
| C | N | H13 | 112.0° | 120.0° |
| C10 | C11 | H21 | 119.9° | 119.9° |
| C11 | C10 | H22 | 119.9° | 120.1° |
| C2 | C1 | N2 | 111.7° | 109.5° |
| C1 | C2 | C3 | 111.9° | 109.5° |
| C1 | C2 | H3 | 108.9° | 109.5° |
| C1 | C2 | H4 | 108.9° | 109.4° |
| C2 | C1 | H10 | 108.9° | 109.5° |
| C2 | C1 | H11 | 108.9° | 109.5° |
| C1 | N2 | C | 123.8° | 120.0° |
| N2 | C1 | H10 | 108.9° | 109.5° |
| N2 | C1 | H11 | 108.9° | 109.5° |
| C1 | N2 | H12 | 118.1° | 120.0° |
| C5 | C4 | C3 | 112.1° | 109.5° |
| C4 | C5 | O1 | 121.6° | 120.0° |
| C4 | C5 | O | 113.1° | 120.0° |
| C5 | C4 | H6 | 107.4° | 109.5° |
| C4 | C3 | C2 | 114.0° | 109.5° |
| C3 | C4 | H6 | 107.1° | 109.5° |
| C4 | C3 | H8 | 108.3° | 109.5° |
| C4 | C3 | H9 | 108.3° | 109.5° |
| O1 | C5 | O | 125.2° | 120.0° |
| N2 | C | N1 | 119.0° | 120.0° |
| C | N2 | H12 | 118.1° | 120.0° |
| C | N1 | H1 | 120.0° | 120.0° |
| C | N1 | H2 | 120.0° | 120.0° |
| C5 | O | H7 | 109.5° | 117.0° |
| C3 | C2 | H3 | 108.9° | 109.5° |
| C3 | C2 | H4 | 108.8° | 109.4° |
| C2 | C3 | H8 | 108.3° | 109.5° |
| C2 | C3 | H9 | 108.3° | 109.5° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H8 | C3 | H9 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H15 | C7 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C6 | C7 | N4 | 103.4° | 0.1° |
| O3 | C6 | C7 | N3 | 178.1° | 179.9° |
| O3 | C6 | N3 | C4 | 55.3° | 0.1° |
| O3 | C6 | N3 | H5 | 124.7° | 180.0° |
| O3 | C6 | C7 | H15 | 135.9° | 120.1° |
| O3 | C6 | C7 | H16 | 17.1° | 120.0° |
| C13 | C14 | C9 | H18 | 180.0° | 180.0° |
| C14 | C13 | C12 | H19 | 180.0° | 180.0° |
| C13 | C14 | C9 | C8 | 179.7° | 179.9° |
| C13 | C14 | C9 | C10 | 0.6° | 0.3° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C14 | C13 | C12 | H20 | 179.6° | 179.9° |
| C14 | C9 | C8 | N4 | 25.5° | 0.3° |
| C9 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C9 | C8 | C10 | 179.1° | 179.7° |
| C14 | C9 | C8 | O2 | 154.9° | 179.7° |
| C14 | C9 | C10 | C11 | 0.4° | 0.5° |
| C9 | C14 | C13 | H19 | 179.7° | 180.0° |
| C14 | C9 | C10 | H22 | 179.5° | 179.7° |
| C7 | N4 | C8 | H17 | 180.0° | 180.0° |
| N4 | C7 | C6 | H15 | 120.6° | 120.0° |
| N4 | C7 | C6 | H16 | 120.6° | 120.0° |
| N4 | C7 | C6 | N3 | 78.5° | 180.0° |
| C7 | N4 | C8 | C9 | 120.5° | 180.0° |
| C7 | N4 | C8 | O2 | 59.1° | 0.0° |
| N4 | C7 | H15 | H16 | 118.2° | 120.1° |
| C8 | N4 | C7 | C6 | 77.0° | 180.0° |
| N4 | C8 | C9 | O2 | 179.5° | 180.0° |
| N4 | C8 | C9 | C10 | 155.4° | 180.0° |
| C8 | N4 | C7 | H15 | 43.6° | 60.0° |
| C8 | N4 | C7 | H16 | 162.4° | 60.0° |
| C13 | C12 | C11 | H20 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.6° | 0.3° |
| C12 | C13 | C14 | H18 | 179.8° | 180.0° |
| C13 | C12 | C11 | H21 | 179.4° | 180.0° |
| C7 | C6 | N3 | C4 | 122.8° | 180.0° |
| C7 | C6 | N3 | H5 | 57.2° | 0.0° |
| C6 | C7 | H15 | H16 | 118.2° | 119.9° |
| C6 | C7 | N4 | H17 | 103.0° | 0.0° |
| C6 | N3 | C4 | H5 | 180.0° | 180.0° |
| C6 | N3 | C4 | C5 | 95.9° | 85.0° |
| C6 | N3 | C4 | C3 | 138.9° | 155.0° |
| C6 | N3 | C4 | H6 | 21.6° | 35.0° |
| N3 | C6 | C7 | H15 | 42.1° | 60.0° |
| N3 | C6 | C7 | H16 | 161.0° | 59.9° |
| C8 | C9 | C10 | C11 | 179.5° | 179.8° |
| C9 | C8 | N4 | H17 | 59.5° | 0.0° |
| C8 | C9 | C14 | H18 | 0.3° | 0.1° |
| C8 | C9 | C10 | H22 | 0.5° | 0.0° |
| O2 | C8 | C9 | C10 | 24.1° | 0.0° |
| O2 | C8 | N4 | H17 | 120.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.6° |
| C9 | C10 | C11 | H22 | 180.0° | 179.8° |
| C10 | C9 | C14 | H18 | 179.4° | 179.8° |
| C9 | C10 | C11 | H21 | 179.8° | 179.7° |
| C12 | C11 | C10 | H21 | 180.0° | 179.7° |
| C11 | C12 | C13 | H19 | 179.6° | 180.0° |
| C12 | C11 | C10 | H22 | 179.8° | 179.7° |
| N3 | C4 | C5 | C3 | 124.5° | 119.9° |
| N3 | C4 | C5 | H6 | 118.0° | 120.0° |
| N3 | C4 | C3 | H6 | 118.0° | 119.9° |
| N3 | C4 | C5 | O1 | 136.2° | 0.0° |
| N3 | C4 | C5 | O | 47.0° | 180.0° |
| N3 | C4 | C3 | C2 | 60.3° | 65.0° |
| N3 | C4 | C3 | H8 | 60.3° | 175.0° |
| N3 | C4 | C3 | H9 | 179.0° | 55.1° |
| N | C | N2 | C1 | 5.1° | 0.0° |
| N | C | N2 | N1 | 179.6° | 180.0° |
| N | C | N1 | H1 | 179.6° | 180.0° |
| N | C | N1 | H2 | 0.4° | 0.3° |
| N | C | N2 | H12 | 174.9° | 180.0° |
| C10 | C11 | C12 | H20 | 179.4° | 179.8° |
| C2 | C1 | N2 | H10 | 120.3° | 120.1° |
| C2 | C1 | N2 | H11 | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 66.2° | 180.0° |
| C2 | C1 | N2 | C | 133.2° | 180.0° |
| C1 | C2 | C3 | H3 | 120.4° | 120.1° |
| C1 | C2 | C3 | H4 | 120.4° | 120.0° |
| C1 | C2 | H3 | H4 | 118.9° | 120.0° |
| C1 | C2 | C3 | H8 | 173.1° | 60.0° |
| C1 | C2 | C3 | H9 | 54.5° | 59.9° |
| C2 | C1 | H10 | H11 | 119.0° | 120.0° |
| C2 | C1 | N2 | H12 | 46.8° | 0.0° |
| C1 | N2 | C | H12 | 180.0° | 180.0° |
| C1 | N2 | C | N1 | 175.3° | 180.0° |
| N2 | C1 | C2 | C3 | 78.5° | 180.0° |
| N2 | C1 | C2 | H3 | 41.9° | 59.9° |
| N2 | C1 | C2 | H4 | 161.2° | 60.0° |
| N2 | C1 | H10 | H11 | 119.0° | 120.0° |
| C5 | C4 | C3 | H6 | 117.6° | 120.1° |
| C4 | C5 | O1 | O | 176.4° | 180.0° |
| C5 | C4 | C3 | C2 | 175.3° | 175.0° |
| C5 | C4 | N3 | H5 | 84.1° | 95.0° |
| C4 | C5 | O | H7 | 176.7° | 179.9° |
| C5 | C4 | C3 | H8 | 64.0° | 55.0° |
| C5 | C4 | C3 | H9 | 54.6° | 64.9° |
| C3 | C4 | C5 | O1 | 99.3° | 120.0° |
| C3 | C4 | C5 | O | 77.5° | 60.0° |
| C4 | C3 | C2 | H8 | 120.7° | 120.0° |
| C4 | C3 | C2 | H9 | 120.7° | 120.1° |
| C4 | C3 | C2 | H3 | 173.4° | 59.9° |
| C4 | C3 | C2 | H4 | 54.1° | 60.0° |
| C3 | C4 | N3 | H5 | 41.1° | 25.0° |
| C4 | C3 | H8 | H9 | 118.0° | 120.0° |
| O1 | C5 | C4 | H6 | 18.2° | 120.0° |
| O1 | C5 | O | H7 | 0.0° | 0.0° |
| N2 | C | N1 | H1 | 0.0° | 0.0° |
| N2 | C | N1 | H2 | 180.0° | 179.7° |
| C | N2 | C1 | H10 | 106.4° | 60.0° |
| C | N2 | C1 | H11 | 12.9° | 59.9° |
| N2 | C | N | H13 | 179.6° | 180.0° |
| C | N1 | H1 | H2 | 180.0° | 179.7° |
| N1 | C | N2 | H12 | 4.7° | 0.0° |
| N1 | C | N | H13 | 0.0° | 0.0° |
| O | C5 | C4 | H6 | 165.0° | 60.0° |
| C3 | C2 | H3 | H4 | 118.9° | 120.0° |
| C2 | C3 | C4 | H6 | 57.7° | 54.9° |
| C2 | C3 | H8 | H9 | 117.9° | 120.0° |
| C3 | C2 | C1 | H10 | 41.8° | 59.9° |
| C3 | C2 | C1 | H11 | 161.2° | 60.0° |
| H3 | C2 | C3 | H8 | 52.7° | 60.1° |
| H3 | C2 | C3 | H9 | 65.9° | 180.0° |
| H3 | C2 | C1 | H10 | 162.2° | 180.0° |
| H3 | C2 | C1 | H11 | 78.4° | 60.1° |
| H4 | C2 | C3 | H8 | 66.5° | 180.0° |
| H4 | C2 | C3 | H9 | 174.8° | 60.0° |
| H4 | C2 | C1 | H10 | 78.5° | 60.0° |
| H4 | C2 | C1 | H11 | 40.8° | 180.0° |
| H5 | N3 | C4 | H6 | 158.4° | 145.0° |
| H6 | C4 | C3 | H8 | 178.3° | 65.1° |
| H6 | C4 | C3 | H9 | 63.0° | 175.0° |
| H10 | C1 | N2 | H12 | 73.6° | 120.1° |
| H11 | C1 | N2 | H12 | 167.1° | 120.0° |
| H15 | C7 | N4 | H17 | 136.4° | 120.0° |
| H16 | C7 | N4 | H17 | 17.6° | 120.0° |
| H18 | C14 | C13 | H19 | 0.3° | 0.0° |
| H19 | C13 | C12 | H20 | 0.4° | 0.1° |
| H20 | C12 | C11 | H21 | 0.6° | 0.1° |
| H21 | C11 | C10 | H22 | 0.2° | 0.0° |
