Y0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C12 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.47Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | trip | 1.17Å | 1.18Å | |
| C09 | C08 | sing | 1.43Å | 1.52Å | |
| C08 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
| C08 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C07 | N06 | sing | 1.32Å | 1.31Å | Aromatic |
| C18 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| N06 | C05 | doub | 1.32Å | 1.31Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.52Å | |
| C02 | O03 | doub | 1.21Å | 1.26Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| O01 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C17 | C16 | 112.8° | 109.5° |
| C17 | C12 | C11 | 107.7° | 109.5° |
| C17 | C12 | C13 | 112.0° | 109.5° |
| C12 | C17 | H5 | 108.7° | 109.5° |
| C12 | C17 | H6 | 108.6° | 109.5° |
| C17 | C12 | H11 | 109.6° | 109.5° |
| C17 | C16 | C15 | 113.0° | 109.4° |
| C16 | C17 | H5 | 108.6° | 109.5° |
| C16 | C17 | H6 | 108.7° | 109.4° |
| C17 | C16 | H14 | 108.6° | 109.5° |
| C17 | C16 | H15 | 108.6° | 109.5° |
| C11 | C12 | C13 | 108.3° | 109.5° |
| C12 | C11 | C10 | 110.8° | 109.4° |
| C12 | C11 | H9 | 109.1° | 109.5° |
| C12 | C11 | H10 | 109.2° | 109.5° |
| C11 | C12 | H11 | 109.6° | 109.5° |
| C12 | C13 | C14 | 113.0° | 109.5° |
| C12 | C13 | H1 | 108.6° | 109.5° |
| C12 | C13 | H2 | 108.6° | 109.5° |
| C13 | C12 | H11 | 109.6° | 109.5° |
| C11 | C10 | C09 | 180.0° | 180.0° |
| C10 | C11 | H9 | 109.1° | 109.5° |
| C10 | C11 | H10 | 109.1° | 109.4° |
| C16 | C15 | C14 | 112.2° | 109.4° |
| C16 | C15 | H3 | 108.8° | 109.5° |
| C16 | C15 | H4 | 108.8° | 109.5° |
| C15 | C16 | H14 | 108.6° | 109.5° |
| C15 | C16 | H15 | 108.6° | 109.5° |
| C15 | C14 | C13 | 112.4° | 109.5° |
| C14 | C15 | H3 | 108.8° | 109.5° |
| C14 | C15 | H4 | 108.8° | 109.4° |
| C15 | C14 | H12 | 108.7° | 109.5° |
| C15 | C14 | H13 | 108.7° | 109.5° |
| C14 | C13 | H1 | 108.6° | 109.5° |
| C14 | C13 | H2 | 108.5° | 109.5° |
| C13 | C14 | H12 | 108.7° | 109.5° |
| C13 | C14 | H13 | 108.7° | 109.5° |
| C10 | C09 | C08 | 180.0° | 179.9° |
| C09 | C08 | C07 | 120.0° | 120.6° |
| C09 | C08 | C18 | 120.3° | 120.4° |
| C07 | C08 | C18 | 119.7° | 119.0° |
| C08 | C07 | N06 | 121.3° | 120.9° |
| C08 | C07 | H8 | 119.4° | 119.5° |
| C08 | C18 | C04 | 118.0° | 118.1° |
| C08 | C18 | H16 | 121.0° | 120.9° |
| C07 | N06 | C05 | 120.2° | 122.1° |
| N06 | C07 | H8 | 119.4° | 119.5° |
| C18 | C04 | C05 | 118.4° | 119.0° |
| C18 | C04 | C02 | 121.8° | 120.5° |
| C04 | C18 | H16 | 121.0° | 120.9° |
| N06 | C05 | C04 | 122.4° | 120.9° |
| N06 | C05 | H7 | 118.8° | 119.6° |
| C05 | C04 | C02 | 119.8° | 120.5° |
| C04 | C05 | H7 | 118.8° | 119.5° |
| C04 | C02 | O03 | 121.2° | 120.1° |
| C04 | C02 | O01 | 118.8° | 120.0° |
| O03 | C02 | O01 | 120.1° | 120.0° |
| C02 | O01 | H17 | 109.5° | 117.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.4° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.6° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C17 | C16 | H5 | 120.5° | 120.1° |
| C12 | C17 | C16 | H6 | 120.5° | 120.0° |
| C17 | C12 | C11 | C13 | 121.3° | 120.0° |
| C17 | C12 | C11 | H11 | 119.2° | 120.0° |
| C17 | C12 | C13 | H11 | 121.9° | 120.0° |
| C17 | C12 | C11 | C10 | 64.4° | 175.0° |
| C12 | C17 | C16 | C15 | 44.0° | 60.0° |
| C17 | C12 | C13 | C14 | 57.3° | 60.0° |
| C17 | C12 | C13 | H1 | 177.8° | 180.0° |
| C17 | C12 | C13 | H2 | 63.2° | 60.0° |
| C12 | C17 | H5 | H6 | 118.5° | 120.0° |
| C17 | C12 | C11 | H9 | 175.4° | 65.0° |
| C17 | C12 | C11 | H10 | 55.7° | 55.1° |
| C12 | C17 | C16 | H14 | 76.6° | 59.9° |
| C12 | C17 | C16 | H15 | 164.5° | 180.0° |
| C16 | C17 | C12 | C11 | 130.4° | 180.0° |
| C16 | C17 | C12 | C13 | 11.4° | 60.0° |
| C17 | C16 | C15 | H14 | 120.5° | 120.0° |
| C17 | C16 | C15 | H15 | 120.5° | 120.0° |
| C17 | C16 | C15 | C14 | 56.2° | 60.0° |
| C17 | C16 | C15 | H3 | 176.6° | 180.0° |
| C17 | C16 | C15 | H4 | 64.2° | 59.9° |
| C16 | C17 | H5 | H6 | 118.5° | 119.9° |
| C16 | C17 | C12 | H11 | 110.5° | 60.0° |
| C17 | C16 | H14 | H15 | 118.4° | 120.0° |
| C11 | C12 | C13 | H11 | 119.5° | 120.0° |
| C12 | C11 | C10 | H9 | 120.2° | 120.0° |
| C12 | C11 | C10 | H10 | 120.2° | 120.0° |
| C11 | C12 | C13 | C14 | 175.9° | 180.0° |
| C12 | C11 | C10 | C09 | 8.3° | 153.7° |
| C11 | C12 | C13 | H1 | 63.6° | 60.0° |
| C11 | C12 | C13 | H2 | 55.4° | 60.0° |
| C11 | C12 | C17 | H5 | 9.9° | 60.0° |
| C11 | C12 | C17 | H6 | 109.1° | 60.0° |
| C12 | C11 | H9 | H10 | 119.4° | 120.0° |
| C13 | C12 | C11 | C10 | 56.9° | 65.0° |
| C12 | C13 | C14 | C15 | 45.0° | 60.0° |
| C12 | C13 | C14 | H1 | 120.5° | 120.0° |
| C12 | C13 | C14 | H2 | 120.5° | 120.0° |
| C12 | C13 | H1 | H2 | 118.4° | 120.0° |
| C13 | C12 | C17 | H5 | 109.1° | 60.0° |
| C13 | C12 | C17 | H6 | 131.9° | 180.0° |
| C13 | C12 | C11 | H9 | 63.3° | 55.0° |
| C13 | C12 | C11 | H10 | 177.1° | 175.1° |
| C12 | C13 | C14 | H12 | 165.4° | 60.0° |
| C12 | C13 | C14 | H13 | 75.4° | 180.0° |
| C11 | C10 | C09 | C08 | 51.3° | 176.8° |
| C10 | C11 | H9 | H10 | 119.4° | 120.0° |
| C10 | C11 | C12 | H11 | 176.4° | 55.0° |
| C16 | C15 | C14 | H3 | 120.4° | 120.0° |
| C16 | C15 | C14 | H4 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 10.5° | 60.0° |
| C16 | C15 | H3 | H4 | 118.8° | 120.1° |
| C15 | C16 | C17 | H5 | 164.5° | 60.0° |
| C15 | C16 | C17 | H6 | 76.5° | 180.0° |
| C16 | C15 | C14 | H12 | 109.9° | 60.0° |
| C16 | C15 | C14 | H13 | 131.0° | 180.0° |
| C15 | C16 | H14 | H15 | 118.4° | 120.0° |
| C15 | C14 | C13 | H12 | 120.4° | 120.0° |
| C15 | C14 | C13 | H13 | 120.4° | 120.0° |
| C15 | C14 | C13 | H1 | 165.5° | 180.0° |
| C15 | C14 | C13 | H2 | 75.6° | 60.0° |
| C14 | C15 | H3 | H4 | 118.7° | 120.0° |
| C15 | C14 | H12 | H13 | 118.7° | 120.0° |
| C14 | C15 | C16 | H14 | 64.4° | 60.0° |
| C14 | C15 | C16 | H15 | 176.7° | 180.0° |
| C14 | C13 | H1 | H2 | 118.4° | 120.0° |
| C13 | C14 | C15 | H3 | 130.9° | 180.0° |
| C13 | C14 | C15 | H4 | 109.9° | 60.0° |
| C14 | C13 | C12 | H11 | 64.6° | 60.0° |
| C13 | C14 | H12 | H13 | 118.6° | 120.0° |
| C10 | C09 | C08 | C07 | 159.1° | 30.5° |
| C10 | C09 | C08 | C18 | 21.0° | 150.2° |
| C09 | C10 | C11 | H9 | 111.8° | 33.7° |
| C09 | C10 | C11 | H10 | 128.5° | 86.3° |
| C09 | C08 | C07 | C18 | 179.9° | 179.3° |
| C09 | C08 | C07 | N06 | 179.8° | 180.0° |
| C09 | C08 | C18 | C04 | 179.8° | 179.7° |
| C09 | C08 | C07 | H8 | 0.2° | 0.5° |
| C09 | C08 | C18 | H16 | 0.2° | 0.3° |
| C08 | C07 | N06 | H8 | 180.0° | 179.5° |
| C07 | C08 | C18 | C04 | 0.1° | 0.5° |
| C08 | C07 | N06 | C05 | 0.4° | 0.5° |
| C07 | C08 | C18 | H16 | 179.9° | 179.6° |
| C18 | C08 | C07 | N06 | 0.1° | 0.7° |
| C08 | C18 | C04 | H16 | 180.0° | 180.0° |
| C08 | C18 | C04 | C05 | 0.3° | 0.0° |
| C08 | C18 | C04 | C02 | 180.0° | 179.7° |
| C18 | C08 | C07 | H8 | 179.9° | 179.8° |
| C07 | N06 | C05 | C04 | 0.6° | 0.0° |
| C07 | N06 | C05 | H7 | 179.4° | 180.0° |
| C18 | C04 | C05 | N06 | 0.6° | 0.3° |
| C18 | C04 | C05 | C02 | 179.7° | 179.7° |
| C18 | C04 | C02 | O03 | 13.9° | 0.2° |
| C18 | C04 | C02 | O01 | 166.3° | 179.7° |
| C18 | C04 | C05 | H7 | 179.4° | 179.8° |
| N06 | C05 | C04 | H7 | 180.0° | 180.0° |
| N06 | C05 | C04 | C02 | 179.7° | 180.0° |
| C05 | N06 | C07 | H8 | 179.6° | 180.0° |
| C05 | C04 | C02 | O03 | 165.9° | 179.9° |
| C05 | C04 | C02 | O01 | 14.0° | 0.0° |
| C05 | C04 | C18 | H16 | 179.7° | 180.0° |
| C04 | C02 | O03 | O01 | 179.8° | 179.9° |
| C02 | C04 | C05 | H7 | 0.3° | 0.1° |
| C02 | C04 | C18 | H16 | 0.0° | 0.3° |
| C04 | C02 | O01 | H17 | 179.9° | 180.0° |
| O03 | C02 | O01 | H17 | 0.0° | 0.0° |
| H1 | C13 | C12 | H11 | 55.9° | 60.0° |
| H1 | C13 | C14 | H12 | 74.1° | 60.0° |
| H1 | C13 | C14 | H13 | 45.1° | 60.0° |
| H2 | C13 | C12 | H11 | 174.9° | 180.0° |
| H2 | C13 | C14 | H12 | 44.9° | 180.0° |
| H2 | C13 | C14 | H13 | 164.0° | 60.0° |
| H3 | C15 | C14 | H12 | 10.5° | 60.0° |
| H3 | C15 | C14 | H13 | 108.6° | 60.0° |
| H3 | C15 | C16 | H14 | 56.1° | 60.0° |
| H3 | C15 | C16 | H15 | 62.9° | 60.0° |
| H4 | C15 | C14 | H12 | 129.7° | 180.0° |
| H4 | C15 | C14 | H13 | 10.6° | 60.0° |
| H4 | C15 | C16 | H14 | 175.3° | 179.9° |
| H4 | C15 | C16 | H15 | 56.3° | 60.0° |
| H5 | C17 | C12 | H11 | 129.0° | 180.0° |
| H5 | C17 | C16 | H14 | 44.0° | 180.0° |
| H5 | C17 | C16 | H15 | 75.0° | 60.0° |
| H6 | C17 | C12 | H11 | 10.0° | 60.0° |
| H6 | C17 | C16 | H14 | 163.0° | 60.0° |
| H6 | C17 | C16 | H15 | 44.0° | 60.0° |
| H9 | C11 | C12 | H11 | 56.2° | 175.0° |
| H10 | C11 | C12 | H11 | 63.4° | 64.9° |
