YO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | C29 | trip | 1.14Å | 1.15Å | |
| C29 | C19 | sing | 1.43Å | 1.41Å | |
| C19 | C18 | doub | 1.35Å | 1.34Å | |
| C18 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C16 | sing | 1.51Å | 1.55Å | |
| C13 | C14 | doub | 1.39Å | 1.44Å | Aromatic |
| C09 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C09 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | N17 | sing | 1.40Å | 1.41Å | |
| N31 | C26 | trip | 1.14Å | 1.14Å | |
| O28 | C27 | doub | 1.22Å | 1.24Å | |
| C26 | C23 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| N17 | C27 | sing | 1.35Å | 1.36Å | |
| N17 | C02 | sing | 1.38Å | 1.38Å | |
| C27 | N07 | sing | 1.35Å | 1.36Å | |
| C23 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | N03 | doub | 1.33Å | 1.34Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.34Å | Aromatic |
| N03 | C04 | sing | 1.33Å | 1.35Å | Aromatic |
| N07 | C01 | sing | 1.39Å | 1.37Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N08 | sing | 1.39Å | 1.39Å | |
| C01 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | N08 | sing | 1.39Å | 1.39Å | |
| C04 | N05 | doub | 1.32Å | 1.37Å | Aromatic |
| C06 | N05 | sing | 1.33Å | 1.38Å | Aromatic |
| C06 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| N07 | H16 | sing | 0.97Å | 1.00Å | |
| N08 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N30 | C29 | C19 | 177.7° | 179.9° |
| C29 | C19 | C18 | 120.5° | 120.0° |
| C29 | C19 | H11 | 119.8° | 120.0° |
| C19 | C18 | C11 | 122.4° | 120.0° |
| C19 | C18 | H10 | 118.8° | 120.0° |
| C18 | C19 | H11 | 119.7° | 120.0° |
| C18 | C11 | C12 | 123.1° | 120.1° |
| C18 | C11 | C10 | 116.3° | 120.1° |
| C11 | C18 | H10 | 118.8° | 120.0° |
| C12 | C11 | C10 | 120.6° | 119.8° |
| C11 | C12 | C13 | 120.4° | 119.9° |
| C11 | C12 | H3 | 119.8° | 120.0° |
| C11 | C10 | C09 | 121.2° | 119.9° |
| C11 | C10 | H2 | 119.4° | 120.0° |
| C12 | C13 | C16 | 116.4° | 120.0° |
| C12 | C13 | C14 | 119.3° | 120.1° |
| C13 | C12 | H3 | 119.8° | 120.0° |
| C10 | C09 | C14 | 117.9° | 120.1° |
| C10 | C09 | C15 | 116.6° | 119.9° |
| C09 | C10 | H2 | 119.4° | 120.0° |
| C16 | C13 | C14 | 124.3° | 119.9° |
| C13 | C16 | H7 | 109.5° | 109.5° |
| C13 | C16 | H8 | 109.5° | 109.5° |
| C13 | C16 | H9 | 109.5° | 109.4° |
| C13 | C14 | C09 | 120.6° | 120.2° |
| C13 | C14 | N17 | 116.4° | 119.9° |
| C14 | C09 | C15 | 125.4° | 119.9° |
| C09 | C14 | N17 | 122.9° | 119.9° |
| C09 | C15 | H4 | 109.5° | 109.5° |
| C09 | C15 | H5 | 109.5° | 109.5° |
| C09 | C15 | H6 | 109.5° | 109.4° |
| C14 | N17 | C27 | 130.2° | 125.6° |
| C14 | N17 | C02 | 120.9° | 125.8° |
| N31 | C26 | C23 | 179.5° | 180.0° |
| O28 | C27 | N17 | 130.0° | 125.1° |
| O28 | C27 | N07 | 125.9° | 125.2° |
| C26 | C23 | C24 | 118.5° | 120.0° |
| C26 | C23 | C22 | 121.1° | 120.1° |
| C23 | C24 | C25 | 118.5° | 119.9° |
| C24 | C23 | C22 | 120.5° | 119.9° |
| C23 | C24 | H14 | 120.7° | 120.1° |
| C24 | C25 | C20 | 122.0° | 120.1° |
| C25 | C24 | H14 | 120.8° | 120.0° |
| C24 | C25 | H15 | 119.0° | 120.0° |
| C27 | N17 | C02 | 108.7° | 108.6° |
| N17 | C27 | N07 | 104.0° | 109.7° |
| N17 | C02 | N03 | 126.5° | 134.2° |
| N17 | C02 | C01 | 110.3° | 106.8° |
| C27 | N07 | C01 | 113.0° | 108.1° |
| C27 | N07 | H16 | 123.5° | 125.9° |
| C23 | C22 | C21 | 120.8° | 119.9° |
| C23 | C22 | H13 | 119.6° | 120.0° |
| C25 | C20 | C21 | 119.2° | 120.2° |
| C25 | C20 | N08 | 122.7° | 120.0° |
| C20 | C25 | H15 | 119.0° | 119.9° |
| N03 | C02 | C01 | 123.2° | 119.1° |
| C02 | N03 | C04 | 118.3° | 120.3° |
| C02 | C01 | N07 | 103.9° | 106.8° |
| C02 | C01 | C06 | 117.4° | 118.8° |
| N03 | C04 | N08 | 117.5° | 119.0° |
| N03 | C04 | N05 | 123.6° | 122.1° |
| N07 | C01 | C06 | 138.7° | 134.5° |
| C01 | N07 | H16 | 123.5° | 125.9° |
| C22 | C21 | C20 | 119.0° | 120.1° |
| C22 | C21 | H12 | 120.5° | 120.0° |
| C21 | C22 | H13 | 119.6° | 120.1° |
| C21 | C20 | N08 | 118.1° | 119.9° |
| C20 | C21 | H12 | 120.5° | 120.0° |
| C20 | N08 | C04 | 132.6° | 120.1° |
| C20 | N08 | H17 | 113.7° | 119.9° |
| C01 | C06 | N05 | 121.9° | 118.8° |
| C01 | C06 | H1 | 119.1° | 120.6° |
| N08 | C04 | N05 | 118.8° | 119.0° |
| C04 | N08 | H17 | 113.7° | 120.0° |
| C04 | N05 | C06 | 115.7° | 121.0° |
| N05 | C06 | H1 | 119.1° | 120.6° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N30 | C29 | C19 | C18 | 41.7° | 38.2° |
| N30 | C29 | C19 | H11 | 138.3° | 141.9° |
| C29 | C19 | C18 | H11 | 180.0° | 179.9° |
| C29 | C19 | C18 | C11 | 178.5° | 180.0° |
| C29 | C19 | C18 | H10 | 1.5° | 0.0° |
| C19 | C18 | C11 | H10 | 180.0° | 180.0° |
| C19 | C18 | C11 | C12 | 160.1° | 180.0° |
| C19 | C18 | C11 | C10 | 20.0° | 0.1° |
| C18 | C11 | C12 | C10 | 180.0° | 179.9° |
| C18 | C11 | C12 | C13 | 179.5° | 180.0° |
| C18 | C11 | C10 | C09 | 179.2° | 180.0° |
| C18 | C11 | C10 | H2 | 0.8° | 0.1° |
| C18 | C11 | C12 | H3 | 0.5° | 0.0° |
| C11 | C18 | C19 | H11 | 1.5° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.7° | 0.1° |
| C11 | C12 | C13 | C16 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C11 | C10 | H2 | 179.3° | 180.0° |
| C12 | C11 | C18 | H10 | 19.9° | 0.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C10 | C09 | H2 | 180.0° | 180.0° |
| C11 | C10 | C09 | C14 | 0.2° | 0.1° |
| C11 | C10 | C09 | C15 | 179.4° | 179.7° |
| C10 | C11 | C12 | H3 | 179.5° | 179.9° |
| C10 | C11 | C18 | H10 | 160.0° | 179.9° |
| C12 | C13 | C16 | C14 | 179.6° | 180.0° |
| C12 | C13 | C14 | C09 | 0.6° | 0.1° |
| C12 | C13 | C14 | N17 | 177.4° | 179.7° |
| C12 | C13 | C16 | H7 | 89.8° | 90.0° |
| C12 | C13 | C16 | H8 | 150.1° | 150.0° |
| C12 | C13 | C16 | H9 | 30.2° | 30.0° |
| C10 | C09 | C14 | C13 | 0.4° | 0.1° |
| C10 | C09 | C14 | C15 | 179.6° | 179.7° |
| C10 | C09 | C14 | N17 | 177.0° | 179.7° |
| C10 | C09 | C15 | H4 | 90.1° | 89.8° |
| C10 | C09 | C15 | H5 | 149.8° | 30.3° |
| C10 | C09 | C15 | H6 | 29.8° | 150.2° |
| C16 | C13 | C14 | C09 | 179.7° | 180.0° |
| C16 | C13 | C14 | N17 | 3.0° | 0.3° |
| C16 | C13 | C12 | H3 | 0.2° | 0.0° |
| C13 | C16 | H7 | H8 | 120.0° | 120.0° |
| C13 | C16 | H7 | H9 | 120.0° | 120.0° |
| C13 | C16 | H8 | H9 | 120.0° | 120.0° |
| C13 | C14 | C09 | N17 | 176.5° | 179.6° |
| C13 | C14 | C09 | C15 | 180.0° | 179.7° |
| C13 | C14 | N17 | C27 | 67.5° | 90.3° |
| C13 | C14 | N17 | C02 | 107.1° | 89.8° |
| C14 | C13 | C12 | H3 | 179.8° | 179.9° |
| C14 | C13 | C16 | H7 | 89.8° | 90.0° |
| C14 | C13 | C16 | H8 | 30.2° | 30.0° |
| C14 | C13 | C16 | H9 | 150.2° | 149.9° |
| C09 | C14 | N17 | C27 | 115.8° | 90.1° |
| C09 | C14 | N17 | C02 | 69.5° | 89.9° |
| C14 | C09 | C10 | H2 | 179.8° | 180.0° |
| C14 | C09 | C15 | H4 | 90.2° | 90.0° |
| C14 | C09 | C15 | H5 | 29.8° | 149.9° |
| C14 | C09 | C15 | H6 | 149.8° | 30.0° |
| C15 | C09 | C14 | N17 | 3.4° | 0.0° |
| C15 | C09 | C10 | H2 | 0.6° | 0.3° |
| C09 | C15 | H4 | H5 | 120.0° | 120.1° |
| C09 | C15 | H4 | H6 | 120.0° | 120.0° |
| C09 | C15 | H5 | H6 | 120.0° | 119.9° |
| C14 | N17 | C27 | O28 | 5.3° | 0.2° |
| C14 | N17 | C27 | C02 | 175.1° | 180.0° |
| C14 | N17 | C27 | N07 | 176.8° | 180.0° |
| C14 | N17 | C02 | N03 | 3.3° | 0.1° |
| C14 | N17 | C02 | C01 | 177.3° | 179.9° |
| N31 | C26 | C23 | C24 | 99.8° | 116.1° |
| N31 | C26 | C23 | C22 | 80.0° | 63.9° |
| O28 | C27 | N17 | N07 | 177.9° | 179.8° |
| O28 | C27 | N17 | C02 | 179.5° | 179.8° |
| O28 | C27 | N07 | C01 | 179.2° | 180.0° |
| O28 | C27 | N07 | H16 | 0.8° | 0.1° |
| C26 | C23 | C24 | C22 | 179.8° | 180.0° |
| C26 | C23 | C24 | C25 | 179.3° | 179.8° |
| C26 | C23 | C22 | C21 | 179.8° | 180.0° |
| C26 | C23 | C22 | H13 | 0.1° | 0.0° |
| C26 | C23 | C24 | H14 | 0.7° | 0.0° |
| C23 | C24 | C25 | H14 | 180.0° | 179.8° |
| C23 | C24 | C25 | C20 | 0.6° | 0.5° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C24 | C23 | C22 | H13 | 179.7° | 180.0° |
| C23 | C24 | C25 | H15 | 179.4° | 180.0° |
| C25 | C24 | C23 | C22 | 0.9° | 0.3° |
| C24 | C25 | C20 | H15 | 180.0° | 179.5° |
| C24 | C25 | C20 | C21 | 0.2° | 0.5° |
| C24 | C25 | C20 | N08 | 179.1° | 179.8° |
| C27 | N17 | C02 | N03 | 178.9° | 179.9° |
| C27 | N17 | C02 | C01 | 1.6° | 0.1° |
| N17 | C27 | N07 | C01 | 1.3° | 0.1° |
| N17 | C27 | N07 | H16 | 178.8° | 179.9° |
| C02 | N17 | C27 | N07 | 1.7° | 0.0° |
| N17 | C02 | N03 | C01 | 179.4° | 180.0° |
| N17 | C02 | N03 | C04 | 179.6° | 180.0° |
| N17 | C02 | C01 | N07 | 0.8° | 0.2° |
| N17 | C02 | C01 | C06 | 179.2° | 180.0° |
| C27 | N07 | C01 | C02 | 0.3° | 0.2° |
| C27 | N07 | C01 | H16 | 180.0° | 179.9° |
| C27 | N07 | C01 | C06 | 179.8° | 180.0° |
| C23 | C22 | C21 | H13 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C23 | C22 | C21 | H12 | 179.6° | 180.0° |
| C22 | C23 | C24 | H14 | 179.1° | 180.0° |
| C25 | C20 | C21 | C22 | 0.7° | 0.3° |
| C25 | C20 | C21 | N08 | 179.3° | 179.7° |
| C25 | C20 | N08 | C04 | 15.7° | 145.7° |
| C25 | C20 | C21 | H12 | 179.3° | 179.8° |
| C20 | C25 | C24 | H14 | 179.4° | 179.7° |
| C25 | C20 | N08 | H17 | 164.3° | 34.2° |
| N03 | C02 | C01 | N07 | 179.7° | 179.8° |
| N03 | C02 | C01 | C06 | 0.3° | 0.0° |
| C02 | N03 | C04 | N08 | 179.1° | 180.0° |
| C02 | N03 | C04 | N05 | 0.4° | 0.0° |
| C01 | C02 | N03 | C04 | 0.2° | 0.0° |
| C02 | C01 | N07 | C06 | 179.9° | 179.8° |
| C02 | C01 | C06 | N05 | 0.7° | 0.0° |
| C02 | C01 | C06 | H1 | 179.2° | 179.9° |
| C02 | C01 | N07 | H16 | 179.7° | 179.9° |
| N03 | C04 | N08 | C20 | 22.3° | 174.6° |
| N03 | C04 | N08 | N05 | 179.6° | 179.9° |
| N03 | C04 | N05 | C06 | 0.0° | 0.1° |
| N03 | C04 | N08 | H17 | 157.7° | 5.4° |
| N07 | C01 | C06 | N05 | 179.3° | 179.8° |
| N07 | C01 | C06 | H1 | 0.7° | 0.3° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C22 | C21 | C20 | N08 | 178.7° | 180.0° |
| C21 | C20 | N08 | C04 | 163.6° | 34.0° |
| C20 | C21 | C22 | H13 | 179.5° | 180.0° |
| C21 | C20 | C25 | H15 | 179.8° | 180.0° |
| C21 | C20 | N08 | H17 | 16.4° | 146.1° |
| C20 | N08 | C04 | H17 | 180.0° | 180.0° |
| C20 | N08 | C04 | N05 | 158.2° | 5.5° |
| N08 | C20 | C21 | H12 | 1.3° | 0.1° |
| N08 | C20 | C25 | H15 | 0.9° | 0.3° |
| C01 | C06 | N05 | C04 | 0.6° | 0.1° |
| C01 | C06 | N05 | H1 | 180.0° | 180.0° |
| C06 | C01 | N07 | H16 | 0.2° | 0.1° |
| N08 | C04 | N05 | C06 | 179.5° | 180.0° |
| C04 | N05 | C06 | H1 | 179.4° | 179.9° |
| N05 | C04 | N08 | H17 | 21.8° | 174.5° |
| H4 | C15 | H5 | H6 | 119.9° | 120.0° |
| H7 | C16 | H8 | H9 | 120.0° | 120.0° |
| H10 | C18 | C19 | H11 | 178.5° | 180.0° |
| H12 | C21 | C22 | H13 | 0.4° | 0.0° |
| H14 | C24 | C25 | H15 | 0.6° | 0.2° |
