Y9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | CL10 | sing | 1.74Å | 1.72Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | O8 | sing | 1.36Å | 1.36Å | |
| C6 | C7 | sing | 1.48Å | 1.46Å | |
| C7 | C13 | doub | 1.40Å | 1.47Å | Aromatic |
| C7 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| O8 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | N18 | doub | 1.29Å | 1.31Å | |
| C12 | N21 | sing | 1.37Å | 1.43Å | |
| C13 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C24 | sing | 1.48Å | 1.46Å | |
| N18 | N19 | sing | 1.40Å | 1.36Å | |
| N19 | C20 | sing | 1.35Å | 1.39Å | |
| C20 | N21 | sing | 1.35Å | 1.40Å | |
| C20 | O23 | doub | 1.22Å | 1.22Å | |
| N21 | C22 | sing | 1.46Å | 1.47Å | |
| C24 | O25 | doub | 1.22Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.42Å | |
| N26 | C27 | sing | 1.47Å | 1.48Å | |
| N26 | C31 | sing | 1.47Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | O29 | sing | 1.43Å | 1.43Å | |
| O29 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.08Å | 1.08Å | |
| C16 | H41 | sing | 1.08Å | 1.08Å | |
| C17 | H42 | sing | 1.08Å | 1.08Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.08Å | 1.08Å | |
| C4 | H33 | sing | 1.08Å | 1.08Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H40 | sing | 1.08Å | 1.08Å | |
| N19 | H43 | sing | 0.97Å | 1.00Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.1° | 120.0° |
| C1 | C2 | C3 | 123.4° | 120.2° |
| C1 | C2 | CL10 | 118.6° | 119.9° |
| C2 | C1 | H32 | 120.5° | 120.0° |
| C1 | C6 | C5 | 117.4° | 119.7° |
| C1 | C6 | C7 | 120.1° | 120.1° |
| C6 | C1 | H32 | 120.5° | 120.0° |
| C3 | C2 | CL10 | 117.9° | 119.9° |
| C2 | C3 | C4 | 117.9° | 120.3° |
| C2 | C3 | C9 | 122.7° | 119.8° |
| C4 | C3 | C9 | 119.4° | 119.9° |
| C3 | C4 | C5 | 120.2° | 120.1° |
| C3 | C4 | H33 | 119.9° | 119.9° |
| C3 | C9 | H34 | 109.5° | 109.5° |
| C3 | C9 | H35 | 109.4° | 109.5° |
| C3 | C9 | H36 | 109.5° | 109.5° |
| C4 | C5 | C6 | 122.0° | 119.8° |
| C4 | C5 | O8 | 123.9° | 120.1° |
| C5 | C4 | H33 | 119.9° | 120.0° |
| C6 | C5 | O8 | 114.1° | 120.1° |
| C5 | C6 | C7 | 122.3° | 120.1° |
| C5 | O8 | C11 | 116.1° | 117.0° |
| C6 | C7 | C13 | 117.6° | 120.1° |
| C6 | C7 | C17 | 122.7° | 120.1° |
| C13 | C7 | C17 | 119.7° | 119.9° |
| C7 | C13 | C16 | 120.7° | 120.2° |
| C7 | C13 | H39 | 119.6° | 119.9° |
| C7 | C17 | C15 | 118.2° | 119.7° |
| C7 | C17 | H42 | 120.9° | 120.1° |
| O8 | C11 | C12 | 111.4° | 109.4° |
| O8 | C11 | H38 | 109.0° | 109.5° |
| O8 | C11 | H37 | 109.0° | 109.4° |
| C11 | C12 | N18 | 122.1° | 125.6° |
| C11 | C12 | N21 | 127.6° | 125.6° |
| C12 | C11 | H38 | 109.0° | 109.5° |
| C12 | C11 | H37 | 109.0° | 109.4° |
| N18 | C12 | N21 | 110.3° | 108.8° |
| C12 | N18 | N19 | 106.1° | 108.1° |
| C12 | N21 | C20 | 107.3° | 108.4° |
| C12 | N21 | C22 | 129.1° | 125.8° |
| C13 | C16 | C14 | 118.8° | 120.2° |
| C16 | C13 | H39 | 119.6° | 119.9° |
| C13 | C16 | H41 | 120.6° | 119.9° |
| C15 | C14 | C16 | 120.0° | 120.2° |
| C14 | C15 | C17 | 122.6° | 119.8° |
| C14 | C15 | C24 | 117.1° | 120.1° |
| C15 | C14 | H40 | 120.0° | 119.9° |
| C14 | C16 | H41 | 120.6° | 119.9° |
| C16 | C14 | H40 | 120.0° | 119.9° |
| C17 | C15 | C24 | 120.2° | 120.1° |
| C15 | C17 | H42 | 120.9° | 120.2° |
| C15 | C24 | O25 | 117.7° | 120.0° |
| C15 | C24 | N26 | 120.8° | 120.0° |
| N18 | N19 | C20 | 113.5° | 107.3° |
| N18 | N19 | H43 | 123.2° | 126.4° |
| N19 | C20 | N21 | 102.9° | 107.4° |
| N19 | C20 | O23 | 128.3° | 126.3° |
| C20 | N19 | H43 | 123.2° | 126.3° |
| N21 | C20 | O23 | 128.8° | 126.3° |
| C20 | N21 | C22 | 123.6° | 125.8° |
| N21 | C22 | H44 | 109.5° | 109.5° |
| N21 | C22 | H46 | 109.5° | 109.5° |
| N21 | C22 | H45 | 109.5° | 109.5° |
| O25 | C24 | N26 | 121.4° | 120.0° |
| C24 | N26 | C27 | 120.0° | 120.9° |
| C24 | N26 | C31 | 122.2° | 121.0° |
| C27 | N26 | C31 | 117.7° | 118.0° |
| N26 | C27 | C28 | 109.5° | 108.4° |
| N26 | C27 | H48 | 109.4° | 109.7° |
| N26 | C27 | H47 | 109.4° | 109.7° |
| N26 | C31 | C30 | 109.7° | 108.4° |
| N26 | C31 | H54 | 109.4° | 109.7° |
| N26 | C31 | H53 | 109.4° | 109.6° |
| C27 | C28 | O29 | 111.5° | 109.2° |
| C28 | C27 | H48 | 109.5° | 109.7° |
| C28 | C27 | H47 | 109.5° | 109.7° |
| C27 | C28 | H49 | 109.0° | 109.5° |
| C27 | C28 | H50 | 109.0° | 109.5° |
| C28 | O29 | C30 | 110.6° | 114.2° |
| O29 | C28 | H49 | 109.0° | 109.5° |
| O29 | C28 | H50 | 109.0° | 109.5° |
| O29 | C30 | C31 | 111.3° | 109.2° |
| O29 | C30 | H52 | 109.0° | 109.5° |
| O29 | C30 | H51 | 109.0° | 109.5° |
| C31 | C30 | H52 | 109.0° | 109.5° |
| C31 | C30 | H51 | 109.0° | 109.5° |
| C30 | C31 | H54 | 109.4° | 109.8° |
| C30 | C31 | H53 | 109.4° | 109.7° |
| H38 | C11 | H37 | 109.5° | 109.5° |
| H44 | C22 | H46 | 109.4° | 109.5° |
| H44 | C22 | H45 | 109.5° | 109.5° |
| H46 | C22 | H45 | 109.4° | 109.4° |
| H48 | C27 | H47 | 109.5° | 109.7° |
| H49 | C28 | H50 | 109.5° | 109.5° |
| H34 | C9 | H35 | 109.5° | 109.5° |
| H34 | C9 | H36 | 109.4° | 109.5° |
| H35 | C9 | H36 | 109.5° | 109.5° |
| H52 | C30 | H51 | 109.5° | 109.6° |
| H54 | C31 | H53 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H32 | 180.0° | 179.8° |
| C1 | C2 | C3 | CL10 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 1.5° | 0.0° |
| C1 | C2 | C3 | C9 | 179.2° | 179.9° |
| C2 | C1 | C6 | C5 | 2.8° | 0.0° |
| C2 | C1 | C6 | C7 | 177.5° | 180.0° |
| C6 | C1 | C2 | C3 | 0.8° | 0.0° |
| C6 | C1 | C2 | CL10 | 179.6° | 180.0° |
| C1 | C6 | C5 | C4 | 2.5° | 0.0° |
| C1 | C6 | C5 | C7 | 174.6° | 179.9° |
| C1 | C6 | C5 | O8 | 177.6° | 180.0° |
| C1 | C6 | C7 | C13 | 118.8° | 130.0° |
| C1 | C6 | C7 | C17 | 61.9° | 49.9° |
| C2 | C3 | C4 | C9 | 177.8° | 180.0° |
| C2 | C3 | C4 | C5 | 1.8° | 0.0° |
| C3 | C2 | C1 | H32 | 179.1° | 179.8° |
| C2 | C3 | C4 | H33 | 178.2° | 180.0° |
| C2 | C3 | C9 | H34 | 88.7° | 90.0° |
| C2 | C3 | C9 | H35 | 151.3° | 150.0° |
| C2 | C3 | C9 | H36 | 31.3° | 30.0° |
| CL10 | C2 | C3 | C4 | 178.1° | 180.0° |
| CL10 | C2 | C3 | C9 | 0.4° | 0.0° |
| CL10 | C2 | C1 | H32 | 0.5° | 0.2° |
| C3 | C4 | C5 | H33 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | O8 | 180.0° | 180.0° |
| C4 | C3 | C9 | H34 | 88.9° | 90.0° |
| C4 | C3 | C9 | H35 | 31.1° | 30.0° |
| C4 | C3 | C9 | H36 | 151.1° | 150.0° |
| C9 | C3 | C4 | C5 | 179.5° | 179.9° |
| C9 | C3 | C4 | H33 | 0.5° | 0.0° |
| C3 | C9 | H34 | H35 | 120.0° | 120.0° |
| C3 | C9 | H34 | H36 | 120.0° | 120.0° |
| C3 | C9 | H35 | H36 | 120.0° | 120.0° |
| C4 | C5 | C6 | O8 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 177.1° | 179.9° |
| C4 | C5 | O8 | C11 | 0.3° | 0.1° |
| C5 | C6 | C7 | C13 | 55.6° | 50.1° |
| C5 | C6 | C7 | C17 | 123.6° | 130.0° |
| C6 | C5 | O8 | C11 | 179.5° | 180.0° |
| C5 | C6 | C1 | H32 | 177.2° | 179.8° |
| C6 | C5 | C4 | H33 | 179.8° | 180.0° |
| O8 | C5 | C6 | C7 | 3.0° | 0.0° |
| C5 | O8 | C11 | C12 | 177.2° | 180.0° |
| C5 | O8 | C11 | H38 | 62.5° | 60.0° |
| C5 | O8 | C11 | H37 | 56.9° | 60.1° |
| O8 | C5 | C4 | H33 | 0.1° | 0.0° |
| C6 | C7 | C13 | C17 | 179.3° | 180.0° |
| C6 | C7 | C13 | C16 | 179.7° | 180.0° |
| C6 | C7 | C17 | C15 | 179.6° | 179.5° |
| C6 | C7 | C13 | H39 | 0.4° | 0.3° |
| C6 | C7 | C17 | H42 | 0.3° | 0.6° |
| C7 | C6 | C1 | H32 | 2.5° | 0.1° |
| C7 | C13 | C16 | H39 | 180.0° | 179.7° |
| C7 | C13 | C16 | C14 | 0.7° | 0.3° |
| C13 | C7 | C17 | C15 | 1.1° | 0.5° |
| C7 | C13 | C16 | H41 | 179.4° | 179.8° |
| C13 | C7 | C17 | H42 | 178.9° | 179.5° |
| C17 | C7 | C13 | C16 | 0.3° | 0.1° |
| C7 | C17 | C15 | C14 | 0.9° | 0.8° |
| C7 | C17 | C15 | H42 | 180.0° | 179.9° |
| C7 | C17 | C15 | C24 | 176.8° | 180.0° |
| C17 | C7 | C13 | H39 | 179.7° | 179.7° |
| O8 | C11 | C12 | H38 | 120.3° | 120.0° |
| O8 | C11 | C12 | H37 | 120.3° | 119.9° |
| O8 | C11 | C12 | N18 | 118.1° | 0.1° |
| O8 | C11 | C12 | N21 | 63.5° | 179.5° |
| O8 | C11 | H38 | H37 | 119.1° | 120.0° |
| C11 | C12 | N18 | N21 | 178.6° | 179.6° |
| C11 | C12 | N18 | N19 | 178.7° | 180.0° |
| C11 | C12 | N21 | C20 | 178.1° | 180.0° |
| C11 | C12 | N21 | C22 | 0.4° | 0.0° |
| C12 | C11 | H38 | H37 | 119.1° | 120.0° |
| C12 | N18 | N19 | C20 | 0.7° | 0.2° |
| N18 | C12 | N21 | C20 | 0.5° | 0.4° |
| N18 | C12 | N21 | C22 | 178.9° | 179.6° |
| N18 | C12 | C11 | H38 | 2.2° | 120.0° |
| N18 | C12 | C11 | H37 | 121.6° | 120.0° |
| C12 | N18 | N19 | H43 | 179.3° | 179.7° |
| N21 | C12 | N18 | N19 | 0.1° | 0.4° |
| C12 | N21 | C20 | N19 | 0.8° | 0.3° |
| C12 | N21 | C20 | C22 | 178.6° | 180.0° |
| C12 | N21 | C20 | O23 | 179.9° | 180.0° |
| N21 | C12 | C11 | H38 | 176.2° | 60.5° |
| N21 | C12 | C11 | H37 | 56.7° | 59.5° |
| C12 | N21 | C22 | H44 | 180.0° | 180.0° |
| C12 | N21 | C22 | H46 | 60.0° | 60.0° |
| C12 | N21 | C22 | H45 | 60.0° | 60.0° |
| C13 | C16 | C14 | C15 | 0.9° | 0.0° |
| C13 | C16 | C14 | H41 | 180.0° | 179.9° |
| C13 | C16 | C14 | H40 | 179.1° | 179.5° |
| C15 | C14 | C16 | H40 | 180.0° | 179.5° |
| C14 | C15 | C17 | C24 | 177.7° | 179.2° |
| C14 | C15 | C24 | O25 | 121.1° | 131.3° |
| C14 | C15 | C24 | N26 | 56.5° | 48.8° |
| C15 | C14 | C16 | H41 | 179.1° | 180.0° |
| C14 | C15 | C17 | H42 | 179.2° | 179.2° |
| C16 | C14 | C15 | C17 | 0.1° | 0.5° |
| C16 | C14 | C15 | C24 | 177.9° | 179.7° |
| C14 | C16 | C13 | H39 | 179.3° | 180.0° |
| C17 | C15 | C24 | O25 | 56.6° | 47.9° |
| C17 | C15 | C24 | N26 | 125.7° | 132.0° |
| C17 | C15 | C14 | H40 | 179.9° | 180.0° |
| C15 | C24 | O25 | N26 | 177.6° | 179.9° |
| C15 | C24 | N26 | C27 | 7.4° | 3.9° |
| C15 | C24 | N26 | C31 | 172.7° | 176.2° |
| C24 | C15 | C17 | H42 | 3.2° | 0.1° |
| C24 | C15 | C14 | H40 | 2.1° | 0.8° |
| N18 | N19 | C20 | H43 | 180.0° | 180.0° |
| N18 | N19 | C20 | N21 | 0.9° | 0.0° |
| N18 | N19 | C20 | O23 | 179.7° | 179.7° |
| N19 | C20 | N21 | O23 | 179.3° | 179.7° |
| N19 | C20 | N21 | C22 | 179.4° | 179.8° |
| C20 | N21 | C22 | H44 | 1.7° | 0.1° |
| C20 | N21 | C22 | H46 | 118.3° | 120.0° |
| C20 | N21 | C22 | H45 | 121.8° | 120.1° |
| N21 | C20 | N19 | H43 | 179.1° | 180.0° |
| O23 | C20 | N21 | C22 | 1.3° | 0.1° |
| O23 | C20 | N19 | H43 | 0.3° | 0.3° |
| N21 | C22 | H44 | H46 | 120.0° | 120.1° |
| N21 | C22 | H44 | H45 | 120.1° | 120.0° |
| N21 | C22 | H46 | H45 | 120.0° | 120.0° |
| O25 | C24 | N26 | C27 | 175.0° | 176.2° |
| O25 | C24 | N26 | C31 | 4.9° | 3.7° |
| C24 | N26 | C27 | C31 | 179.9° | 179.9° |
| C24 | N26 | C27 | C28 | 136.0° | 129.5° |
| C24 | N26 | C31 | C30 | 135.5° | 129.5° |
| C24 | N26 | C27 | H48 | 104.0° | 110.7° |
| C24 | N26 | C27 | H47 | 16.0° | 9.8° |
| C24 | N26 | C31 | H54 | 15.5° | 110.7° |
| C24 | N26 | C31 | H53 | 104.5° | 9.8° |
| N26 | C27 | C28 | H48 | 120.0° | 119.7° |
| N26 | C27 | C28 | H47 | 120.0° | 119.7° |
| N26 | C27 | C28 | O29 | 51.5° | 52.3° |
| C27 | N26 | C31 | C30 | 44.6° | 50.6° |
| N26 | C27 | H48 | H47 | 120.0° | 120.6° |
| N26 | C27 | C28 | H49 | 171.8° | 67.6° |
| N26 | C27 | C28 | H50 | 68.8° | 172.3° |
| C27 | N26 | C31 | H54 | 164.6° | 69.2° |
| C27 | N26 | C31 | H53 | 75.4° | 170.3° |
| C31 | N26 | C27 | C28 | 44.1° | 50.6° |
| N26 | C31 | C30 | O29 | 52.2° | 52.4° |
| N26 | C31 | C30 | H54 | 120.0° | 119.7° |
| N26 | C31 | C30 | H53 | 120.0° | 119.7° |
| C31 | N26 | C27 | H48 | 75.9° | 69.2° |
| C31 | N26 | C27 | H47 | 164.1° | 170.3° |
| N26 | C31 | C30 | H52 | 172.5° | 67.6° |
| N26 | C31 | C30 | H51 | 68.1° | 172.2° |
| N26 | C31 | H54 | H53 | 119.9° | 120.5° |
| C27 | C28 | O29 | H49 | 120.3° | 119.9° |
| C27 | C28 | O29 | H50 | 120.3° | 120.0° |
| C27 | C28 | O29 | C30 | 63.0° | 62.6° |
| C28 | C27 | H48 | H47 | 120.0° | 120.5° |
| C27 | C28 | H49 | H50 | 119.1° | 120.1° |
| C28 | O29 | C30 | C31 | 63.4° | 62.6° |
| O29 | C28 | C27 | H48 | 68.5° | 67.4° |
| O29 | C28 | C27 | H47 | 171.5° | 172.0° |
| O29 | C28 | H49 | H50 | 119.1° | 120.1° |
| C28 | O29 | C30 | H52 | 176.3° | 57.4° |
| C28 | O29 | C30 | H51 | 56.9° | 177.6° |
| O29 | C30 | C31 | H52 | 120.3° | 120.0° |
| O29 | C30 | C31 | H51 | 120.3° | 119.8° |
| C30 | O29 | C28 | H49 | 176.7° | 57.3° |
| C30 | O29 | C28 | H50 | 57.3° | 177.5° |
| O29 | C30 | H52 | H51 | 119.2° | 120.1° |
| O29 | C30 | C31 | H54 | 172.3° | 67.4° |
| O29 | C30 | C31 | H53 | 67.8° | 172.0° |
| C31 | C30 | H52 | H51 | 119.1° | 120.1° |
| C30 | C31 | H54 | H53 | 119.9° | 120.6° |
| H39 | C13 | C16 | H41 | 0.7° | 0.1° |
| H41 | C16 | C14 | H40 | 0.9° | 0.5° |
| H44 | C22 | H46 | H45 | 120.0° | 120.0° |
| H48 | C27 | C28 | H49 | 51.8° | 172.7° |
| H48 | C27 | C28 | H50 | 171.2° | 52.5° |
| H47 | C27 | C28 | H49 | 68.2° | 52.1° |
| H47 | C27 | C28 | H50 | 51.2° | 68.0° |
| H34 | C9 | H35 | H36 | 120.0° | 120.0° |
| H52 | C30 | C31 | H54 | 67.4° | 172.7° |
| H52 | C30 | C31 | H53 | 52.5° | 52.1° |
| H51 | C30 | C31 | H54 | 52.0° | 52.5° |
| H51 | C30 | C31 | H53 | 171.9° | 68.1° |
