DY9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C7 | sing | 1.36Å | 1.36Å | |
| O3 | C6 | sing | 1.36Å | 1.36Å | |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6B | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C6A | sing | 1.50Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4A | sing | 1.39Å | 1.40Å | Aromatic |
| C6B | C6A | sing | 1.47Å | 1.48Å | |
| C6B | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C6A | C13 | doub | 1.41Å | 1.42Å | Aromatic |
| O2 | C4 | doub | 1.21Å | 1.21Å | |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C4A | C4 | sing | 1.48Å | 1.48Å | |
| C4A | C14 | doub | 1.45Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.49Å | |
| C14 | C1 | sing | 1.51Å | 1.52Å | |
| C12 | O5 | doub | 1.22Å | 1.23Å | |
| C3 | O1 | sing | 1.45Å | 1.45Å | |
| C3 | C15 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.54Å | 1.47Å | |
| O1 | C2 | sing | 1.42Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O6 | sing | 1.43Å | 1.42Å | |
| C1 | HC | sing | 1.09Å | 1.10Å | |
| C2 | HC1 | sing | 1.09Å | 1.10Å | |
| C5 | HC2 | sing | 1.08Å | 1.08Å | |
| O3 | HO | sing | 0.97Å | 0.95Å | |
| O4 | HO1 | sing | 0.97Å | 0.95Å | |
| O6 | H | sing | 0.97Å | 0.95Å | |
| C8 | HC3 | sing | 1.08Å | 1.08Å | |
| C9 | HC4 | sing | 1.08Å | 1.08Å | |
| C10 | HC5 | sing | 1.08Å | 1.08Å | |
| C15 | HC6 | sing | 1.09Å | 1.10Å | |
| C15 | HC8 | sing | 1.09Å | 1.10Å | |
| C15 | HC7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C7 | C8 | 118.3° | 121.6° |
| O4 | C7 | C6B | 120.8° | 121.6° |
| C7 | O4 | HO1 | 109.5° | 114.0° |
| O3 | C6 | C5 | 119.3° | 119.9° |
| O3 | C6 | C6A | 120.2° | 121.3° |
| C6 | O3 | HO | 109.5° | 114.0° |
| C8 | C7 | C6B | 120.9° | 116.8° |
| C7 | C8 | C9 | 120.3° | 122.0° |
| C7 | C8 | HC3 | 119.9° | 119.0° |
| C7 | C6B | C6A | 134.4° | 130.2° |
| C7 | C6B | C11 | 117.2° | 120.9° |
| C5 | C6 | C6A | 120.5° | 118.8° |
| C6 | C5 | C4A | 120.2° | 119.9° |
| C6 | C5 | HC2 | 119.9° | 120.1° |
| C6 | C6A | C6B | 132.9° | 132.0° |
| C6 | C6A | C13 | 119.0° | 119.6° |
| C8 | C9 | C10 | 120.6° | 122.0° |
| C9 | C8 | HC3 | 119.8° | 119.0° |
| C8 | C9 | HC4 | 119.7° | 119.0° |
| C5 | C4A | C4 | 117.3° | 121.3° |
| C5 | C4A | C14 | 121.7° | 122.0° |
| C4A | C5 | HC2 | 119.9° | 120.1° |
| C6A | C6B | C11 | 108.4° | 108.9° |
| C6B | C6A | C13 | 108.1° | 108.3° |
| C6B | C11 | C10 | 122.3° | 121.3° |
| C6B | C11 | C12 | 109.3° | 107.9° |
| C6A | C13 | C14 | 121.8° | 120.1° |
| C6A | C13 | C12 | 108.8° | 107.9° |
| O2 | C4 | C4A | 121.6° | 122.5° |
| O2 | C4 | C3 | 120.6° | 122.5° |
| C9 | C10 | C11 | 118.7° | 117.0° |
| C10 | C9 | HC4 | 119.7° | 119.0° |
| C9 | C10 | HC5 | 120.6° | 121.5° |
| C4 | C4A | C14 | 120.9° | 116.7° |
| C4A | C4 | C3 | 117.8° | 115.0° |
| C4A | C14 | C13 | 116.8° | 119.5° |
| C4A | C14 | C1 | 122.0° | 120.5° |
| C4 | C3 | O1 | 112.2° | 115.1° |
| C4 | C3 | C15 | 115.5° | 116.8° |
| C4 | C3 | C2 | 118.0° | 115.4° |
| C10 | C11 | C12 | 128.4° | 130.8° |
| C11 | C10 | HC5 | 120.7° | 121.5° |
| C11 | C12 | C13 | 105.4° | 107.0° |
| C11 | C12 | O5 | 127.1° | 126.5° |
| C14 | C13 | C12 | 129.4° | 132.0° |
| C13 | C14 | C1 | 121.1° | 120.0° |
| C13 | C12 | O5 | 127.4° | 126.5° |
| C14 | C1 | C2 | 114.4° | 110.8° |
| C14 | C1 | O6 | 112.2° | 109.2° |
| C14 | C1 | HC | 108.0° | 109.2° |
| O1 | C3 | C15 | 116.5° | 119.5° |
| O1 | C3 | C2 | 59.1° | 56.8° |
| C3 | O1 | C2 | 61.0° | 64.8° |
| C15 | C3 | C2 | 122.3° | 119.7° |
| C3 | C15 | HC6 | 109.5° | 109.5° |
| C3 | C15 | HC8 | 109.5° | 109.5° |
| C3 | C15 | HC7 | 109.4° | 109.4° |
| C3 | C2 | O1 | 59.8° | 58.4° |
| C3 | C2 | C1 | 121.6° | 116.6° |
| C3 | C2 | HC1 | 116.1° | 117.6° |
| O1 | C2 | C1 | 116.1° | 118.9° |
| O1 | C2 | HC1 | 116.6° | 117.6° |
| C2 | C1 | O6 | 104.7° | 109.2° |
| C2 | C1 | HC | 108.1° | 109.2° |
| C1 | C2 | HC1 | 115.2° | 115.7° |
| O6 | C1 | HC | 109.3° | 109.2° |
| C1 | O6 | H | 109.5° | 114.0° |
| HC6 | C15 | HC8 | 109.5° | 109.5° |
| HC6 | C15 | HC7 | 109.5° | 109.4° |
| HC8 | C15 | HC7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C7 | C8 | C6B | 179.0° | 180.0° |
| O4 | C7 | C8 | C9 | 179.4° | 180.0° |
| O4 | C7 | C6B | C6A | 0.0° | 0.0° |
| O4 | C7 | C6B | C11 | 178.4° | 179.9° |
| O4 | C7 | C8 | HC3 | 0.6° | 0.0° |
| O3 | C6 | C5 | C6A | 179.8° | 178.4° |
| O3 | C6 | C5 | C4A | 179.8° | 179.7° |
| O3 | C6 | C6A | C6B | 1.7° | 1.8° |
| O3 | C6 | C6A | C13 | 179.6° | 179.8° |
| O3 | C6 | C5 | HC2 | 0.2° | 0.3° |
| C7 | C8 | C9 | HC3 | 180.0° | 180.0° |
| C8 | C7 | C6B | C6A | 179.0° | 180.0° |
| C8 | C7 | C6B | C11 | 0.6° | 0.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C8 | C7 | O4 | HO1 | 180.0° | 90.0° |
| C7 | C8 | C9 | HC4 | 179.5° | 179.9° |
| C7 | C6B | C6A | C6 | 3.9° | 0.1° |
| C6B | C7 | C8 | C9 | 0.4° | 0.0° |
| C7 | C6B | C6A | C11 | 178.5° | 180.0° |
| C7 | C6B | C6A | C13 | 177.3° | 178.7° |
| C7 | C6B | C11 | C10 | 1.6° | 0.0° |
| C7 | C6B | C11 | C12 | 177.4° | 178.1° |
| C6B | C7 | O4 | HO1 | 1.0° | 90.0° |
| C6B | C7 | C8 | HC3 | 179.6° | 180.0° |
| C6 | C5 | C4A | HC2 | 180.0° | 180.0° |
| C5 | C6 | C6A | C6B | 178.1° | 179.9° |
| C5 | C6 | C6A | C13 | 0.6° | 1.4° |
| C6 | C5 | C4A | C4 | 175.0° | 179.1° |
| C6 | C5 | C4A | C14 | 1.4° | 0.9° |
| C5 | C6 | O3 | HO | 180.0° | 90.0° |
| C6A | C6 | C5 | C4A | 0.0° | 1.3° |
| C6 | C6A | C6B | C13 | 178.8° | 178.6° |
| C6 | C6A | C6B | C11 | 177.6° | 179.9° |
| C6 | C6A | C13 | C14 | 0.1° | 1.1° |
| C6 | C6A | C13 | C12 | 178.5° | 179.0° |
| C6A | C6 | C5 | HC2 | 180.0° | 178.7° |
| C6A | C6 | O3 | HO | 0.2° | 88.3° |
| C8 | C9 | C10 | HC4 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C8 | C9 | C10 | HC5 | 179.6° | 180.0° |
| C5 | C4A | C4 | O2 | 19.6° | 39.1° |
| C5 | C4A | C4 | C14 | 176.4° | 180.0° |
| C5 | C4A | C4 | C3 | 161.1° | 140.9° |
| C5 | C4A | C14 | C13 | 2.0° | 0.6° |
| C5 | C4A | C14 | C1 | 176.7° | 180.0° |
| C6A | C6B | C11 | C10 | 179.6° | 180.0° |
| C6A | C6B | C11 | C12 | 1.4° | 1.8° |
| C6B | C6A | C13 | C14 | 179.1° | 179.9° |
| C6B | C6A | C13 | C12 | 0.5° | 0.2° |
| C11 | C6B | C6A | C13 | 1.2° | 1.3° |
| C6B | C11 | C10 | C9 | 1.5° | 0.0° |
| C6B | C11 | C10 | C12 | 178.7° | 177.7° |
| C6B | C11 | C12 | C13 | 1.1° | 1.7° |
| C6B | C11 | C12 | O5 | 177.6° | 179.9° |
| C6B | C11 | C10 | HC5 | 178.5° | 180.0° |
| C6A | C13 | C14 | C4A | 1.4° | 0.7° |
| C6A | C13 | C12 | C11 | 0.4° | 0.9° |
| C6A | C13 | C14 | C12 | 178.3° | 179.9° |
| C6A | C13 | C14 | C1 | 177.3° | 179.9° |
| C6A | C13 | C12 | O5 | 178.4° | 179.3° |
| O2 | C4 | C4A | C3 | 179.3° | 180.0° |
| O2 | C4 | C4A | C14 | 156.8° | 140.9° |
| O2 | C4 | C3 | O1 | 131.8° | 152.7° |
| O2 | C4 | C3 | C15 | 4.9° | 4.8° |
| O2 | C4 | C3 | C2 | 162.4° | 143.9° |
| C9 | C10 | C11 | HC5 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 177.2° | 177.7° |
| C10 | C9 | C8 | HC3 | 179.5° | 180.0° |
| C4 | C4A | C14 | C13 | 174.2° | 179.4° |
| C4 | C4A | C14 | C1 | 7.1° | 0.0° |
| C4A | C4 | C3 | O1 | 48.8° | 27.3° |
| C4A | C4 | C3 | C15 | 174.5° | 175.3° |
| C4A | C4 | C3 | C2 | 16.9° | 36.1° |
| C4 | C4A | C5 | HC2 | 5.0° | 0.9° |
| C14 | C4A | C4 | C3 | 22.6° | 39.1° |
| C4A | C14 | C13 | C1 | 178.7° | 179.4° |
| C4A | C14 | C13 | C12 | 176.9° | 179.4° |
| C4A | C14 | C1 | C2 | 12.9° | 39.6° |
| C4A | C14 | C1 | O6 | 106.2° | 80.7° |
| C4A | C14 | C1 | HC | 133.2° | 159.9° |
| C14 | C4A | C5 | HC2 | 178.6° | 179.1° |
| C4 | C3 | O1 | C15 | 136.2° | 147.0° |
| C4 | C3 | O1 | C2 | 110.3° | 105.0° |
| C4 | C3 | C15 | C2 | 156.5° | 147.2° |
| C4 | C3 | C2 | C1 | 3.5° | 4.5° |
| C4 | C3 | C2 | HC1 | 152.6° | 148.4° |
| C4 | C3 | C15 | HC6 | 180.0° | 155.0° |
| C4 | C3 | C15 | HC8 | 60.0° | 85.0° |
| C4 | C3 | C15 | HC7 | 60.0° | 35.1° |
| C10 | C11 | C12 | C13 | 180.0° | 179.7° |
| C10 | C11 | C12 | O5 | 1.2° | 1.9° |
| C11 | C10 | C9 | HC4 | 179.6° | 179.9° |
| C11 | C12 | C13 | C14 | 178.1° | 179.0° |
| C11 | C12 | C13 | O5 | 178.8° | 178.4° |
| C12 | C11 | C10 | HC5 | 2.8° | 2.3° |
| C14 | C13 | C12 | O5 | 3.1° | 0.6° |
| C13 | C14 | C1 | C2 | 165.8° | 139.8° |
| C13 | C14 | C1 | O6 | 75.2° | 99.9° |
| C13 | C14 | C1 | HC | 45.4° | 19.5° |
| C12 | C13 | C14 | C1 | 4.4° | 0.0° |
| C14 | C1 | C2 | C3 | 18.0° | 40.4° |
| C14 | C1 | C2 | O1 | 51.2° | 26.4° |
| C14 | C1 | C2 | O6 | 123.3° | 120.4° |
| C14 | C1 | C2 | HC | 120.3° | 120.3° |
| C14 | C1 | O6 | HC | 119.8° | 119.3° |
| C14 | C1 | C2 | HC1 | 167.4° | 174.9° |
| C14 | C1 | O6 | H | 180.0° | 58.6° |
| O1 | C3 | C15 | C2 | 68.7° | 66.3° |
| C3 | O1 | C2 | C1 | 113.0° | 105.1° |
| O1 | C3 | C2 | HC1 | 107.0° | 107.0° |
| O1 | C3 | C15 | HC6 | 45.2° | 8.6° |
| O1 | C3 | C15 | HC8 | 165.2° | 128.6° |
| O1 | C3 | C15 | HC7 | 74.8° | 111.4° |
| C15 | C3 | C2 | C1 | 152.5° | 143.2° |
| C15 | C3 | C2 | HC1 | 3.3° | 0.8° |
| C3 | C15 | HC6 | HC8 | 120.0° | 120.0° |
| C3 | C15 | HC6 | HC7 | 120.0° | 119.9° |
| C3 | C15 | HC8 | HC7 | 120.0° | 120.0° |
| C3 | C2 | C1 | HC1 | 149.4° | 144.7° |
| C3 | C2 | C1 | O6 | 105.3° | 79.9° |
| C3 | C2 | C1 | HC | 138.2° | 160.7° |
| C2 | C3 | C15 | HC6 | 23.5° | 57.8° |
| C2 | C3 | C15 | HC8 | 96.5° | 62.3° |
| C2 | C3 | C15 | HC7 | 143.5° | 177.7° |
| O1 | C2 | C1 | HC1 | 141.4° | 148.5° |
| O1 | C2 | C1 | O6 | 174.5° | 146.8° |
| O1 | C2 | C1 | HC | 69.1° | 93.9° |
| C2 | C1 | O6 | HC | 115.6° | 119.3° |
| C2 | C1 | O6 | H | 55.3° | 180.0° |
| O6 | C1 | C2 | HC1 | 44.1° | 64.7° |
| HC | C1 | C2 | HC1 | 72.4° | 54.6° |
| HC | C1 | O6 | H | 60.3° | 60.7° |
| HC3 | C8 | C9 | HC4 | 0.5° | 0.0° |
| HC4 | C9 | C10 | HC5 | 0.4° | 0.0° |
| HC6 | C15 | HC8 | HC7 | 120.0° | 120.0° |
