YZ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C11 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å | |
| C11 | O2 | sing | 1.45Å | 1.49Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| O1 | C12 | doub | 1.22Å | 1.21Å | |
| O2 | C12 | sing | 1.35Å | 1.32Å | |
| C6 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C10 | sing | 1.36Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C2 | sing | 1.41Å | 1.45Å | Aromatic |
| C5 | C9 | doub | 1.39Å | 1.36Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| O3 | C1 | sing | 1.36Å | 1.40Å | Aromatic |
| O3 | C7 | sing | 1.36Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.45Å | Aromatic |
| C7 | O5 | doub | 1.22Å | 1.18Å | |
| C7 | C9 | sing | 1.47Å | 1.53Å | Aromatic |
| C12 | C9 | sing | 1.47Å | 1.50Å | |
| O4 | C8 | sing | 1.36Å | 1.34Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C10 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C3 | H31 | 116.4° | 109.5° |
| C11 | C3 | H32 | 109.7° | 109.5° |
| C11 | C3 | H33 | 109.7° | 109.5° |
| C3 | C11 | O2 | 116.4° | 109.5° |
| C3 | C11 | H111 | 109.7° | 109.4° |
| C3 | C11 | H112 | 109.7° | 109.5° |
| H31 | C3 | H32 | 109.7° | 109.5° |
| H31 | C3 | H33 | 109.7° | 109.4° |
| H32 | C3 | H33 | 100.5° | 109.5° |
| O2 | C11 | H111 | 109.7° | 109.4° |
| O2 | C11 | H112 | 109.7° | 109.5° |
| C11 | O2 | C12 | 112.0° | 120.1° |
| H111 | C11 | H112 | 100.5° | 109.5° |
| O1 | C12 | O2 | 120.7° | 119.9° |
| O1 | C12 | C9 | 120.2° | 120.0° |
| O2 | C12 | C9 | 119.1° | 120.0° |
| C2 | C6 | C10 | 117.6° | 119.9° |
| C2 | C6 | H6 | 121.2° | 120.1° |
| C6 | C2 | C5 | 119.7° | 120.5° |
| C6 | C2 | C1 | 122.7° | 119.6° |
| C10 | C6 | H6 | 121.2° | 120.0° |
| C6 | C10 | C8 | 118.5° | 120.5° |
| C6 | C10 | H10 | 119.9° | 119.7° |
| C2 | C5 | C9 | 120.3° | 118.4° |
| C2 | C5 | H5 | 123.1° | 120.8° |
| C5 | C2 | C1 | 117.5° | 119.8° |
| C9 | C5 | H5 | 116.6° | 120.8° |
| C5 | C9 | C7 | 119.4° | 117.6° |
| C5 | C9 | C12 | 119.2° | 121.2° |
| C1 | C4 | C8 | 113.3° | 119.8° |
| C1 | C4 | H4 | 123.5° | 120.1° |
| C4 | C1 | O3 | 118.0° | 120.6° |
| C4 | C1 | C2 | 121.2° | 119.7° |
| C8 | C4 | H4 | 123.3° | 120.1° |
| C4 | C8 | O4 | 115.9° | 119.8° |
| C4 | C8 | C10 | 126.7° | 120.5° |
| C1 | O3 | C7 | 122.2° | 117.9° |
| O3 | C1 | C2 | 120.8° | 119.7° |
| O3 | C7 | O5 | 118.0° | 121.4° |
| O3 | C7 | C9 | 119.0° | 117.2° |
| O5 | C7 | C9 | 123.0° | 121.4° |
| C7 | C9 | C12 | 121.5° | 121.2° |
| C8 | O4 | HO4 | 115.9° | 106.8° |
| O4 | C8 | C10 | 117.4° | 119.8° |
| C8 | C10 | H10 | 121.6° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C3 | H31 | H32 | 125.2° | 120.1° |
| C11 | C3 | H31 | H33 | 125.3° | 120.0° |
| C11 | C3 | H32 | H33 | 115.5° | 120.0° |
| C3 | C11 | O2 | H111 | 125.2° | 119.9° |
| C3 | C11 | O2 | H112 | 125.3° | 120.1° |
| C3 | C11 | H111 | H112 | 115.5° | 120.0° |
| C3 | C11 | O2 | C12 | 46.5° | 179.9° |
| H31 | C3 | H32 | H33 | 115.5° | 119.9° |
| H31 | C3 | C11 | O2 | 180.0° | 180.0° |
| H31 | C3 | C11 | H111 | 54.8° | 60.1° |
| H31 | C3 | C11 | H112 | 54.7° | 59.9° |
| H32 | C3 | C11 | O2 | 54.8° | 60.0° |
| H32 | C3 | C11 | H111 | 70.5° | 59.9° |
| H32 | C3 | C11 | H112 | 179.9° | 180.0° |
| H33 | C3 | C11 | O2 | 54.7° | 60.0° |
| H33 | C3 | C11 | H111 | 180.0° | 179.9° |
| H33 | C3 | C11 | H112 | 70.6° | 60.0° |
| O2 | C11 | H111 | H112 | 115.5° | 120.0° |
| C11 | O2 | C12 | O1 | 3.1° | 0.1° |
| C11 | O2 | C12 | C9 | 177.1° | 180.0° |
| H111 | C11 | O2 | C12 | 78.8° | 60.0° |
| H112 | C11 | O2 | C12 | 171.8° | 60.0° |
| O1 | C12 | O2 | C9 | 179.8° | 180.0° |
| O1 | C12 | C9 | C5 | 20.8° | 0.0° |
| O1 | C12 | C9 | C7 | 158.6° | 179.7° |
| O2 | C12 | C9 | C5 | 159.0° | 180.0° |
| O2 | C12 | C9 | C7 | 21.6° | 0.2° |
| C2 | C6 | C10 | H6 | 180.0° | 180.0° |
| C6 | C2 | C5 | C1 | 179.3° | 179.2° |
| C6 | C2 | C5 | C9 | 171.3° | 171.6° |
| C6 | C2 | C5 | H5 | 8.6° | 8.4° |
| C6 | C2 | C1 | C4 | 0.3° | 2.4° |
| C6 | C2 | C1 | O3 | 179.3° | 176.6° |
| C2 | C6 | C10 | C8 | 0.4° | 0.6° |
| C2 | C6 | C10 | H10 | 179.5° | 179.4° |
| C10 | C6 | C2 | C5 | 178.6° | 178.7° |
| C6 | C10 | C8 | C4 | 0.1° | 0.5° |
| C10 | C6 | C2 | C1 | 0.6° | 2.1° |
| C6 | C10 | C8 | O4 | 180.0° | 179.3° |
| C6 | C10 | C8 | H10 | 180.0° | 180.0° |
| H6 | C6 | C2 | C5 | 1.3° | 1.3° |
| H6 | C6 | C2 | C1 | 179.4° | 177.9° |
| H6 | C6 | C10 | C8 | 179.6° | 179.4° |
| H6 | C6 | C10 | H10 | 0.4° | 0.6° |
| C2 | C5 | C9 | H5 | 180.0° | 180.0° |
| C5 | C2 | C1 | C4 | 178.9° | 178.3° |
| C5 | C2 | C1 | O3 | 0.1° | 2.6° |
| C2 | C5 | C9 | C7 | 9.6° | 1.7° |
| C2 | C5 | C9 | C12 | 170.9° | 178.5° |
| C5 | C9 | C7 | O3 | 3.4° | 24.7° |
| C9 | C5 | C2 | C1 | 8.0° | 9.1° |
| C5 | C9 | C7 | O5 | 176.8° | 155.6° |
| C5 | C9 | C7 | C12 | 179.4° | 179.7° |
| H5 | C5 | C2 | C1 | 172.1° | 170.9° |
| H5 | C5 | C9 | C7 | 170.4° | 178.3° |
| H5 | C5 | C9 | C12 | 9.1° | 1.5° |
| C1 | C4 | C8 | H4 | 180.0° | 180.0° |
| C4 | C1 | O3 | C2 | 179.0° | 179.0° |
| C4 | C1 | O3 | C7 | 172.6° | 154.7° |
| C1 | C4 | C8 | O4 | 179.7° | 179.7° |
| C1 | C4 | C8 | C10 | 0.4° | 0.2° |
| C8 | C4 | C1 | O3 | 178.8° | 177.7° |
| C8 | C4 | C1 | C2 | 0.2° | 1.3° |
| C4 | C8 | O4 | C10 | 179.9° | 179.9° |
| C4 | C8 | O4 | HO4 | 180.0° | 89.9° |
| C4 | C8 | C10 | H10 | 179.9° | 179.5° |
| H4 | C4 | C1 | O3 | 1.2° | 2.2° |
| H4 | C4 | C1 | C2 | 179.8° | 178.8° |
| H4 | C4 | C8 | O4 | 0.3° | 0.4° |
| H4 | C4 | C8 | C10 | 179.6° | 179.8° |
| C1 | O3 | C7 | O5 | 175.1° | 143.2° |
| C1 | O3 | C7 | C9 | 4.7° | 37.1° |
| C7 | O3 | C1 | C2 | 6.4° | 26.3° |
| O3 | C7 | O5 | C9 | 179.8° | 179.7° |
| O3 | C7 | C9 | C12 | 177.2° | 155.5° |
| O5 | C7 | C9 | C12 | 2.6° | 24.1° |
| O4 | C8 | C10 | H10 | 0.1° | 0.7° |
| HO4 | O4 | C8 | C10 | 0.2° | 90.0° |
