6Y6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C9 | sing | 1.43Å | 1.44Å | |
| C54 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C11 | C53 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| O7 | C7 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | O8 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O10 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | N5 | sing | 1.35Å | 1.27Å | |
| N5 | C5 | sing | 1.46Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O6 | C2 | sing | 1.35Å | 1.45Å | |
| C4 | N4 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.50Å | 1.52Å | |
| N4 | C41 | sing | 1.35Å | 1.33Å | Aromatic |
| N4 | N41 | sing | 1.29Å | 1.39Å | Aromatic |
| C41 | C42 | doub | 1.35Å | 1.38Å | Aromatic |
| N41 | N42 | doub | 1.29Å | 1.40Å | Aromatic |
| C42 | N42 | sing | 1.34Å | 1.36Å | Aromatic |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.32Å | 1.35Å | |
| C2 | C1 | sing | 1.47Å | 1.35Å | |
| C43 | O44 | sing | 1.43Å | 1.42Å | |
| O1A | C1 | doub | 1.22Å | 1.24Å | |
| O44 | C45 | sing | 1.43Å | 1.43Å | |
| C1 | O1B | sing | 1.35Å | 1.24Å | |
| O1B | HOB1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C41 | H14 | sing | 1.08Å | 1.08Å | |
| C43 | H15 | sing | 1.09Å | 1.10Å | |
| C43 | H16 | sing | 1.09Å | 1.10Å | |
| C45 | H17 | sing | 1.09Å | 1.10Å | |
| C45 | H18 | sing | 1.09Å | 1.10Å | |
| C45 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C53 | H21 | sing | 1.09Å | 1.10Å | |
| C53 | H22 | sing | 1.09Å | 1.10Å | |
| C53 | H23 | sing | 1.09Å | 1.10Å | |
| C54 | H24 | sing | 1.09Å | 1.10Å | |
| C54 | H25 | sing | 1.09Å | 1.10Å | |
| C54 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C9 | C8 | 111.6° | 109.5° |
| O9 | C9 | H91 | 108.9° | 109.4° |
| O9 | C9 | H92 | 108.9° | 109.4° |
| C9 | O9 | HO9 | 109.5° | 114.0° |
| C54 | C11 | C53 | 110.7° | 109.4° |
| C54 | C11 | C10 | 109.8° | 109.5° |
| C54 | C11 | H11 | 108.4° | 109.5° |
| C11 | C54 | H24 | 109.5° | 109.4° |
| C11 | C54 | H25 | 109.5° | 109.5° |
| C11 | C54 | H26 | 109.5° | 109.5° |
| C9 | C8 | C7 | 112.4° | 109.5° |
| C9 | C8 | O8 | 111.7° | 109.4° |
| C9 | C8 | H8 | 107.8° | 109.5° |
| C8 | C9 | H91 | 108.9° | 109.5° |
| C8 | C9 | H92 | 108.9° | 109.5° |
| C53 | C11 | C10 | 110.8° | 109.5° |
| C53 | C11 | H11 | 108.4° | 109.4° |
| C11 | C53 | H21 | 109.5° | 109.5° |
| C11 | C53 | H22 | 109.5° | 109.5° |
| C11 | C53 | H23 | 109.5° | 109.5° |
| C11 | C10 | O10 | 119.6° | 120.0° |
| C11 | C10 | N5 | 117.4° | 120.0° |
| C10 | C11 | H11 | 108.6° | 109.5° |
| O7 | C7 | C8 | 109.3° | 109.5° |
| O7 | C7 | C6 | 108.1° | 109.5° |
| O7 | C7 | H7 | 111.1° | 109.4° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C7 | C8 | O8 | 107.6° | 109.4° |
| C8 | C7 | C6 | 109.2° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 107.9° | 109.5° |
| O8 | C8 | H8 | 109.3° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| C7 | C6 | C5 | 112.8° | 109.7° |
| C7 | C6 | O6 | 106.7° | 109.8° |
| C7 | C6 | H6 | 108.7° | 109.7° |
| C6 | C7 | H7 | 109.7° | 109.5° |
| O10 | C10 | N5 | 123.0° | 120.0° |
| C10 | N5 | C5 | 122.4° | 120.0° |
| C10 | N5 | HN5 | 118.8° | 120.0° |
| N5 | C5 | C6 | 107.3° | 109.8° |
| N5 | C5 | C4 | 108.9° | 109.7° |
| N5 | C5 | H5 | 111.7° | 109.7° |
| C5 | N5 | HN5 | 118.8° | 120.0° |
| C5 | C6 | O6 | 110.0° | 108.5° |
| C6 | C5 | C4 | 107.0° | 108.2° |
| C6 | C5 | H5 | 110.8° | 109.7° |
| C5 | C6 | H6 | 108.7° | 109.7° |
| C6 | O6 | C2 | 118.0° | 117.6° |
| O6 | C6 | H6 | 109.9° | 109.5° |
| C5 | C4 | N4 | 105.6° | 109.5° |
| C5 | C4 | C3 | 107.1° | 109.5° |
| C5 | C4 | H4 | 110.5° | 109.4° |
| C4 | C5 | H5 | 110.9° | 109.7° |
| O6 | C2 | C3 | 120.6° | 123.0° |
| O6 | C2 | C1 | 117.0° | 118.5° |
| N4 | C4 | C3 | 112.0° | 109.5° |
| C4 | N4 | C41 | 131.3° | 125.9° |
| C4 | N4 | N41 | 117.0° | 125.9° |
| N4 | C4 | H4 | 111.1° | 109.5° |
| C4 | C3 | C2 | 120.8° | 122.3° |
| C4 | C3 | H3 | 119.6° | 118.9° |
| C3 | C4 | H4 | 110.5° | 109.5° |
| C41 | N4 | N41 | 111.7° | 108.3° |
| N4 | C41 | C42 | 106.7° | 106.2° |
| N4 | C41 | H14 | 126.7° | 126.9° |
| N4 | N41 | N42 | 104.1° | 110.2° |
| C41 | C42 | N42 | 108.8° | 106.5° |
| C41 | C42 | C43 | 123.4° | 126.8° |
| C42 | C41 | H14 | 126.7° | 126.9° |
| N41 | N42 | C42 | 108.7° | 108.9° |
| N42 | C42 | C43 | 127.7° | 126.7° |
| C42 | C43 | O44 | 110.9° | 109.4° |
| C42 | C43 | H15 | 109.1° | 109.5° |
| C42 | C43 | H16 | 109.1° | 109.5° |
| C3 | C2 | C1 | 122.4° | 118.5° |
| C2 | C3 | H3 | 119.6° | 118.8° |
| C2 | C1 | O1A | 120.2° | 120.0° |
| C2 | C1 | O1B | 121.0° | 120.0° |
| C43 | O44 | C45 | 111.2° | 113.9° |
| O44 | C43 | H15 | 109.1° | 109.4° |
| O44 | C43 | H16 | 109.1° | 109.4° |
| O1A | C1 | O1B | 118.8° | 120.1° |
| O44 | C45 | H17 | 109.5° | 109.5° |
| O44 | C45 | H18 | 109.5° | 109.5° |
| O44 | C45 | H19 | 109.5° | 109.4° |
| C1 | O1B | HOB1 | 109.5° | 116.9° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H15 | C43 | H16 | 109.5° | 109.5° |
| H17 | C45 | H18 | 109.4° | 109.5° |
| H17 | C45 | H19 | 109.5° | 109.4° |
| H18 | C45 | H19 | 109.4° | 109.5° |
| H21 | C53 | H22 | 109.5° | 109.5° |
| H21 | C53 | H23 | 109.4° | 109.4° |
| H22 | C53 | H23 | 109.5° | 109.5° |
| H24 | C54 | H25 | 109.5° | 109.5° |
| H24 | C54 | H26 | 109.5° | 109.5° |
| H25 | C54 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C9 | C8 | H91 | 120.3° | 120.0° |
| O9 | C9 | C8 | H92 | 120.3° | 120.0° |
| O9 | C9 | C8 | C7 | 71.7° | 175.0° |
| O9 | C9 | C8 | O8 | 49.4° | 65.0° |
| O9 | C9 | C8 | H8 | 169.5° | 54.9° |
| O9 | C9 | H91 | H92 | 119.0° | 119.9° |
| C54 | C11 | C53 | C10 | 122.2° | 120.0° |
| C54 | C11 | C53 | H11 | 118.8° | 120.0° |
| C54 | C11 | C10 | H11 | 118.4° | 120.0° |
| C54 | C11 | C10 | O10 | 72.9° | 119.9° |
| C54 | C11 | C10 | N5 | 107.1° | 60.0° |
| C54 | C11 | C53 | H21 | 180.0° | 60.0° |
| C54 | C11 | C53 | H22 | 60.0° | 60.0° |
| C54 | C11 | C53 | H23 | 60.0° | 180.0° |
| C11 | C54 | H24 | H25 | 120.0° | 120.0° |
| C11 | C54 | H24 | H26 | 120.0° | 120.0° |
| C11 | C54 | H25 | H26 | 120.0° | 120.0° |
| C9 | C8 | C7 | O7 | 51.3° | 60.0° |
| C9 | C8 | C7 | O8 | 123.4° | 120.0° |
| C9 | C8 | C7 | H8 | 118.8° | 120.0° |
| C9 | C8 | O8 | H8 | 119.2° | 120.0° |
| C9 | C8 | C7 | C6 | 169.4° | 180.0° |
| C9 | C8 | C7 | H7 | 70.5° | 59.9° |
| C9 | C8 | O8 | HO8 | 180.0° | 60.0° |
| C8 | C9 | H91 | H92 | 119.0° | 120.1° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| C53 | C11 | C10 | H11 | 119.0° | 120.0° |
| C53 | C11 | C10 | O10 | 49.8° | 0.0° |
| C53 | C11 | C10 | N5 | 130.3° | 180.0° |
| C11 | C53 | H21 | H22 | 120.0° | 120.1° |
| C11 | C53 | H21 | H23 | 120.0° | 120.0° |
| C11 | C53 | H22 | H23 | 120.0° | 120.0° |
| C53 | C11 | C54 | H24 | 180.0° | 60.0° |
| C53 | C11 | C54 | H25 | 60.0° | 60.0° |
| C53 | C11 | C54 | H26 | 60.0° | 180.0° |
| C11 | C10 | O10 | N5 | 180.0° | 180.0° |
| C11 | C10 | N5 | C5 | 179.5° | 180.0° |
| C11 | C10 | N5 | HN5 | 0.5° | 0.0° |
| C10 | C11 | C53 | H21 | 57.8° | 60.0° |
| C10 | C11 | C53 | H22 | 177.9° | 180.0° |
| C10 | C11 | C53 | H23 | 62.1° | 60.0° |
| C10 | C11 | C54 | H24 | 57.3° | 180.0° |
| C10 | C11 | C54 | H25 | 62.7° | 60.0° |
| C10 | C11 | C54 | H26 | 177.3° | 60.0° |
| O7 | C7 | C8 | C6 | 118.0° | 120.0° |
| O7 | C7 | C8 | H7 | 121.9° | 120.0° |
| O7 | C7 | C8 | O8 | 174.8° | 180.0° |
| O7 | C7 | C6 | H7 | 121.2° | 120.0° |
| O7 | C7 | C6 | C5 | 61.7° | 55.0° |
| O7 | C7 | C6 | O6 | 59.1° | 64.1° |
| O7 | C7 | C6 | H6 | 177.6° | 175.5° |
| O7 | C7 | C8 | H8 | 67.4° | 60.0° |
| C7 | C8 | O8 | H8 | 117.0° | 120.1° |
| C8 | C7 | C6 | H7 | 120.0° | 120.0° |
| C8 | C7 | C6 | C5 | 179.5° | 175.0° |
| C8 | C7 | C6 | O6 | 59.6° | 55.9° |
| C8 | C7 | C6 | H6 | 58.9° | 64.5° |
| C8 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C7 | C8 | O8 | HO8 | 56.1° | 60.0° |
| C7 | C8 | C9 | H91 | 48.7° | 55.1° |
| C7 | C8 | C9 | H92 | 168.0° | 65.0° |
| O8 | C8 | C7 | C6 | 67.2° | 60.0° |
| O8 | C8 | C7 | H7 | 52.9° | 60.0° |
| O8 | C8 | C9 | H91 | 169.8° | 175.0° |
| O8 | C8 | C9 | H92 | 70.9° | 55.0° |
| C7 | C6 | C5 | N5 | 59.4° | 57.6° |
| C7 | C6 | C5 | O6 | 119.0° | 119.9° |
| C7 | C6 | C5 | H6 | 120.7° | 120.6° |
| C7 | C6 | O6 | H6 | 117.7° | 120.5° |
| C7 | C6 | C5 | C4 | 176.1° | 177.3° |
| C7 | C6 | O6 | C2 | 161.9° | 167.3° |
| C7 | C6 | C5 | H5 | 62.9° | 63.0° |
| C6 | C7 | O7 | HO7 | 61.3° | 60.0° |
| C6 | C7 | C8 | H8 | 50.6° | 60.0° |
| O10 | C10 | N5 | C5 | 0.5° | 0.0° |
| O10 | C10 | N5 | HN5 | 179.5° | 179.9° |
| O10 | C10 | C11 | H11 | 168.7° | 120.0° |
| C10 | N5 | C5 | HN5 | 180.0° | 180.0° |
| C10 | N5 | C5 | C6 | 136.3° | 156.2° |
| C10 | N5 | C5 | C4 | 108.2° | 85.0° |
| C10 | N5 | C5 | H5 | 14.6° | 35.6° |
| N5 | C10 | C11 | H11 | 11.3° | 60.0° |
| N5 | C5 | C6 | C4 | 116.7° | 119.7° |
| N5 | C5 | C6 | H5 | 122.2° | 120.6° |
| N5 | C5 | C6 | O6 | 178.4° | 177.4° |
| N5 | C5 | C4 | H5 | 123.3° | 120.6° |
| N5 | C5 | C4 | N4 | 64.0° | 73.1° |
| N5 | C5 | C4 | C3 | 176.4° | 166.9° |
| N5 | C5 | C4 | H4 | 56.1° | 46.9° |
| N5 | C5 | C6 | H6 | 61.3° | 63.0° |
| C5 | C6 | O6 | H6 | 119.6° | 119.7° |
| C6 | C5 | C4 | H5 | 121.0° | 119.7° |
| C5 | C6 | O6 | C2 | 39.2° | 47.5° |
| C6 | C5 | C4 | N4 | 179.8° | 167.2° |
| C6 | C5 | C4 | C3 | 60.7° | 47.2° |
| C6 | C5 | C4 | H4 | 59.6° | 72.9° |
| C6 | C5 | N5 | HN5 | 43.7° | 23.9° |
| C5 | C6 | C7 | H7 | 59.5° | 65.0° |
| O6 | C6 | C5 | C4 | 64.9° | 62.8° |
| C6 | O6 | C2 | C3 | 11.6° | 16.2° |
| C6 | O6 | C2 | C1 | 169.1° | 163.5° |
| O6 | C6 | C5 | H5 | 56.1° | 56.8° |
| O6 | C6 | C7 | H7 | 179.6° | 176.0° |
| C5 | C4 | N4 | C3 | 116.2° | 120.0° |
| C5 | C4 | N4 | H4 | 119.7° | 120.0° |
| C5 | C4 | C3 | H4 | 120.3° | 120.0° |
| C5 | C4 | N4 | C41 | 74.5° | 85.0° |
| C5 | C4 | N4 | N41 | 102.2° | 95.3° |
| C5 | C4 | C3 | C2 | 35.2° | 17.5° |
| C5 | C4 | C3 | H3 | 144.8° | 162.4° |
| C4 | C5 | N5 | HN5 | 71.8° | 95.0° |
| C4 | C5 | C6 | H6 | 55.4° | 56.8° |
| O6 | C2 | C3 | C4 | 9.7° | 0.1° |
| O6 | C2 | C3 | C1 | 179.3° | 179.6° |
| O6 | C2 | C1 | O1A | 0.7° | 179.7° |
| O6 | C2 | C1 | O1B | 179.3° | 0.3° |
| O6 | C2 | C3 | H3 | 170.3° | 179.8° |
| C2 | O6 | C6 | H6 | 80.4° | 72.2° |
| N4 | C4 | C3 | H4 | 124.4° | 120.0° |
| C4 | N4 | C41 | N41 | 176.8° | 179.7° |
| C4 | N4 | C41 | C42 | 178.1° | 180.0° |
| C4 | N4 | N41 | N42 | 178.1° | 180.0° |
| N4 | C4 | C3 | C2 | 150.5° | 137.5° |
| N4 | C4 | C3 | H3 | 29.6° | 42.4° |
| N4 | C4 | C5 | H5 | 59.2° | 47.5° |
| C4 | N4 | C41 | H14 | 1.9° | 0.1° |
| C3 | C4 | N4 | C41 | 41.7° | 35.0° |
| C3 | C4 | N4 | N41 | 141.6° | 144.7° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 171.0° | 179.6° |
| C3 | C4 | C5 | H5 | 60.3° | 72.5° |
| N4 | C41 | C42 | H14 | 180.0° | 179.9° |
| C41 | N4 | N41 | N42 | 0.8° | 0.3° |
| N4 | C41 | C42 | N42 | 1.3° | 0.2° |
| N4 | C41 | C42 | C43 | 179.6° | 179.9° |
| C41 | N4 | C4 | H4 | 165.8° | 155.0° |
| N41 | N4 | C41 | C42 | 1.3° | 0.3° |
| N4 | N41 | N42 | C42 | 0.1° | 0.2° |
| N41 | N4 | C4 | H4 | 17.6° | 24.6° |
| N41 | N4 | C41 | H14 | 178.7° | 179.8° |
| C41 | C42 | N42 | N41 | 0.9° | 0.0° |
| C41 | C42 | N42 | C43 | 179.0° | 179.9° |
| C41 | C42 | C43 | O44 | 160.3° | 0.0° |
| C41 | C42 | C43 | H15 | 79.5° | 120.0° |
| C41 | C42 | C43 | H16 | 40.1° | 120.0° |
| N41 | N42 | C42 | C43 | 179.8° | 179.9° |
| N42 | C42 | C43 | O44 | 20.9° | 179.9° |
| N42 | C42 | C41 | H14 | 178.7° | 179.9° |
| N42 | C42 | C43 | H15 | 99.4° | 59.9° |
| N42 | C42 | C43 | H16 | 141.1° | 60.2° |
| C42 | C43 | O44 | H15 | 120.2° | 120.0° |
| C42 | C43 | O44 | H16 | 120.2° | 120.0° |
| C42 | C43 | O44 | C45 | 61.2° | 180.0° |
| C43 | C42 | C41 | H14 | 0.4° | 0.0° |
| C42 | C43 | H15 | H16 | 119.3° | 120.1° |
| C3 | C2 | C1 | O1A | 180.0° | 0.1° |
| C3 | C2 | C1 | O1B | 0.1° | 180.0° |
| C2 | C3 | C4 | H4 | 85.1° | 102.5° |
| C2 | C1 | O1A | O1B | 179.9° | 180.0° |
| C2 | C1 | O1B | HOB1 | 179.9° | 179.9° |
| C1 | C2 | C3 | H3 | 9.0° | 0.5° |
| O44 | C43 | H15 | H16 | 119.3° | 119.9° |
| C43 | O44 | C45 | H17 | 180.0° | 60.1° |
| C43 | O44 | C45 | H18 | 60.0° | 60.0° |
| C43 | O44 | C45 | H19 | 60.0° | 180.0° |
| O1A | C1 | O1B | HOB1 | 0.0° | 0.1° |
| C45 | O44 | C43 | H15 | 178.6° | 60.0° |
| C45 | O44 | C43 | H16 | 59.0° | 59.9° |
| O44 | C45 | H17 | H18 | 120.0° | 120.1° |
| O44 | C45 | H17 | H19 | 120.0° | 119.9° |
| O44 | C45 | H18 | H19 | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 94.8° | 77.6° |
| H4 | C4 | C5 | H5 | 179.4° | 167.5° |
| H5 | C5 | N5 | HN5 | 165.4° | 144.5° |
| H5 | C5 | C6 | H6 | 176.5° | 176.4° |
| H6 | C6 | C7 | H7 | 61.2° | 55.6° |
| H7 | C7 | O7 | HO7 | 59.0° | 180.0° |
| H7 | C7 | C8 | H8 | 170.7° | 180.0° |
| H8 | C8 | O8 | HO8 | 60.8° | 180.0° |
| H8 | C8 | C9 | H91 | 70.1° | 65.0° |
| H8 | C8 | C9 | H92 | 49.2° | 174.9° |
| H91 | C9 | O9 | HO9 | 59.6° | 60.0° |
| H92 | C9 | O9 | HO9 | 59.7° | 60.0° |
| H17 | C45 | H18 | H19 | 120.0° | 119.9° |
| H11 | C11 | C53 | H21 | 61.2° | 180.0° |
| H11 | C11 | C53 | H22 | 58.8° | 60.0° |
| H11 | C11 | C53 | H23 | 178.8° | 60.0° |
| H11 | C11 | C54 | H24 | 61.2° | 60.0° |
| H11 | C11 | C54 | H25 | 178.8° | 180.0° |
| H11 | C11 | C54 | H26 | 58.8° | 60.0° |
| H21 | C53 | H22 | H23 | 120.0° | 120.0° |
| H24 | C54 | H25 | H26 | 120.0° | 120.0° |
