H9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | B02 | sing | 1.42Å | 1.36Å | |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| B02 | C15 | sing | 1.57Å | 1.54Å | |
| B02 | O03 | sing | 1.42Å | 1.42Å | |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C10 | doub | 1.39Å | 1.34Å | Aromatic |
| O03 | C04 | sing | 1.43Å | 1.44Å | |
| C10 | C04 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| O07 | C06 | doub | 1.21Å | 1.27Å | |
| C05 | C06 | sing | 1.47Å | 1.53Å | |
| C05 | C09 | doub | 1.33Å | 1.30Å | |
| C06 | O08 | sing | 1.35Å | 1.26Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| O08 | H3 | sing | 0.97Å | 0.95Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | B02 | C15 | 127.1° | 126.5° |
| O01 | B02 | O03 | 114.8° | 126.4° |
| B02 | O01 | H1 | 109.5° | 114.0° |
| C13 | C14 | C15 | 118.0° | 119.7° |
| C14 | C13 | C12 | 119.0° | 120.0° |
| C14 | C13 | H8 | 120.5° | 120.0° |
| C13 | C14 | H9 | 121.0° | 120.1° |
| C14 | C15 | B02 | 129.0° | 132.9° |
| C14 | C15 | C10 | 123.6° | 120.1° |
| C15 | C14 | H9 | 121.0° | 120.2° |
| C15 | B02 | O03 | 101.7° | 107.1° |
| B02 | C15 | C10 | 107.2° | 106.9° |
| B02 | O03 | C04 | 102.6° | 108.7° |
| C13 | C12 | C11 | 122.2° | 120.4° |
| C13 | C12 | H7 | 118.9° | 119.8° |
| C12 | C13 | H8 | 120.5° | 120.0° |
| C15 | C10 | C04 | 106.6° | 107.9° |
| C15 | C10 | C11 | 117.9° | 119.7° |
| O03 | C04 | C10 | 101.9° | 109.4° |
| O03 | C04 | C05 | 111.1° | 109.5° |
| O03 | C04 | H2 | 107.6° | 109.5° |
| C04 | C10 | C11 | 135.3° | 132.4° |
| C10 | C04 | C05 | 122.4° | 109.5° |
| C10 | C04 | H2 | 106.5° | 109.5° |
| C10 | C11 | C12 | 119.2° | 120.1° |
| C10 | C11 | H6 | 120.4° | 120.0° |
| C12 | C11 | H6 | 120.4° | 120.0° |
| C11 | C12 | H7 | 118.9° | 119.8° |
| C04 | C05 | C06 | 116.8° | 120.0° |
| C04 | C05 | C09 | 125.7° | 120.0° |
| C05 | C04 | H2 | 106.5° | 109.5° |
| O07 | C06 | C05 | 119.6° | 120.0° |
| O07 | C06 | O08 | 120.2° | 120.0° |
| C06 | C05 | C09 | 117.5° | 120.0° |
| C05 | C06 | O08 | 120.2° | 120.0° |
| C05 | C09 | H4 | 120.0° | 120.0° |
| C05 | C09 | H5 | 120.0° | 120.0° |
| C06 | O08 | H3 | 109.5° | 117.0° |
| H4 | C09 | H5 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | B02 | C15 | C14 | 67.9° | 0.7° |
| O01 | B02 | C15 | O03 | 133.9° | 179.8° |
| O01 | B02 | C15 | C10 | 107.2° | 179.8° |
| O01 | B02 | O03 | C04 | 98.1° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 179.7° |
| C13 | C14 | C15 | B02 | 176.0° | 179.6° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 1.6° | 0.6° |
| C14 | C13 | C12 | C11 | 0.4° | 0.1° |
| C14 | C13 | C12 | H7 | 179.6° | 180.0° |
| C14 | C15 | B02 | C10 | 175.1° | 179.1° |
| C14 | C15 | B02 | O03 | 158.2° | 179.5° |
| C15 | C14 | C13 | C12 | 1.3° | 0.3° |
| C14 | C15 | C10 | C04 | 175.7° | 179.6° |
| C14 | C15 | C10 | C11 | 0.0° | 0.6° |
| C15 | C14 | C13 | H8 | 178.7° | 179.7° |
| C15 | B02 | O03 | C04 | 42.6° | 0.2° |
| B02 | C15 | C10 | C04 | 0.2° | 0.4° |
| B02 | C15 | C10 | C11 | 175.5° | 179.8° |
| C15 | B02 | O01 | H1 | 129.0° | 180.0° |
| B02 | C15 | C14 | H9 | 4.1° | 0.7° |
| O03 | B02 | C15 | C10 | 26.6° | 0.4° |
| B02 | O03 | C04 | C10 | 42.7° | 0.0° |
| B02 | O03 | C04 | C05 | 174.6° | 120.0° |
| O03 | B02 | O01 | H1 | 0.0° | 0.3° |
| B02 | O03 | C04 | H2 | 69.2° | 120.0° |
| C13 | C12 | C11 | C10 | 2.0° | 0.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | H6 | 178.1° | 180.0° |
| C12 | C13 | C14 | H9 | 178.7° | 180.0° |
| C15 | C10 | C04 | O03 | 25.9° | 0.3° |
| C15 | C10 | C04 | C11 | 174.6° | 179.7° |
| C15 | C10 | C11 | C12 | 1.7° | 0.3° |
| C15 | C10 | C04 | C05 | 150.6° | 119.7° |
| C15 | C10 | C04 | H2 | 86.8° | 120.2° |
| C15 | C10 | C11 | H6 | 178.3° | 179.7° |
| C10 | C15 | C14 | H9 | 178.5° | 179.7° |
| O03 | C04 | C10 | C05 | 124.7° | 120.0° |
| O03 | C04 | C10 | H2 | 112.7° | 119.9° |
| O03 | C04 | C10 | C11 | 159.5° | 180.0° |
| O03 | C04 | C05 | H2 | 116.9° | 120.0° |
| O03 | C04 | C05 | C06 | 78.4° | 53.6° |
| O03 | C04 | C05 | C09 | 100.7° | 126.4° |
| C04 | C10 | C11 | C12 | 175.8° | 180.0° |
| C10 | C04 | C05 | H2 | 122.6° | 120.1° |
| C10 | C04 | C05 | C06 | 161.1° | 66.3° |
| C10 | C04 | C05 | C09 | 19.8° | 113.6° |
| C04 | C10 | C11 | H6 | 4.2° | 0.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C11 | C10 | C04 | C05 | 34.8° | 60.0° |
| C11 | C10 | C04 | H2 | 87.8° | 60.1° |
| C10 | C11 | C12 | H7 | 178.0° | 180.0° |
| C11 | C12 | C13 | H8 | 179.6° | 180.0° |
| C04 | C05 | C06 | O07 | 4.0° | 180.0° |
| C04 | C05 | C06 | C09 | 179.2° | 180.0° |
| C04 | C05 | C06 | O08 | 177.1° | 0.0° |
| C04 | C05 | C09 | H4 | 179.1° | 180.0° |
| C04 | C05 | C09 | H5 | 0.9° | 0.0° |
| O07 | C06 | C05 | O08 | 178.9° | 180.0° |
| O07 | C06 | C05 | C09 | 175.2° | 0.0° |
| O07 | C06 | O08 | H3 | 0.0° | 0.0° |
| C06 | C05 | C04 | H2 | 38.5° | 173.6° |
| C05 | C06 | O08 | H3 | 178.9° | 180.0° |
| C06 | C05 | C09 | H4 | 0.0° | 0.0° |
| C06 | C05 | C09 | H5 | 180.0° | 180.0° |
| C09 | C05 | C06 | O08 | 3.7° | 180.0° |
| C09 | C05 | C04 | H2 | 142.4° | 6.4° |
| C05 | C09 | H4 | H5 | 180.0° | 180.0° |
| H6 | C11 | C12 | H7 | 1.9° | 0.0° |
| H7 | C12 | C13 | H8 | 0.4° | 0.0° |
| H8 | C13 | C14 | H9 | 1.3° | 0.0° |
