16Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| O19 | C17 | doub | 1.21Å | 1.27Å | |
| C17 | O18 | sing | 1.34Å | 1.26Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | O9 | sing | 1.43Å | 1.47Å | |
| O18 | H1 | sing | 0.97Å | 0.95Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| O9 | H30 | sing | 0.97Å | 0.95Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 114.4° | 109.5° |
| C1 | C2 | C3 | 112.2° | 109.5° |
| C2 | C1 | H14 | 108.2° | 109.5° |
| C2 | C1 | H15 | 108.2° | 109.5° |
| C1 | C2 | H16 | 108.8° | 109.4° |
| C1 | C2 | H17 | 108.8° | 109.5° |
| C1 | C10 | C11 | 111.7° | 109.5° |
| C1 | C10 | H12 | 108.9° | 109.5° |
| C1 | C10 | H13 | 108.9° | 109.5° |
| C10 | C1 | H14 | 108.2° | 109.5° |
| C10 | C1 | H15 | 108.2° | 109.5° |
| C2 | C3 | C4 | 110.5° | 109.5° |
| C3 | C2 | H16 | 108.8° | 109.4° |
| C3 | C2 | H17 | 108.8° | 109.5° |
| C2 | C3 | H18 | 109.2° | 109.4° |
| C2 | C3 | H19 | 109.2° | 109.4° |
| C11 | C12 | C13 | 113.7° | 109.5° |
| C12 | C11 | C10 | 115.3° | 109.5° |
| C11 | C12 | H8 | 108.4° | 109.5° |
| C11 | C12 | H9 | 108.4° | 109.5° |
| C12 | C11 | H10 | 108.0° | 109.5° |
| C12 | C11 | H11 | 108.0° | 109.5° |
| C12 | C13 | C14 | 116.3° | 109.5° |
| C12 | C13 | H7 | 107.7° | 109.4° |
| C13 | C12 | H8 | 108.4° | 109.5° |
| C13 | C12 | H9 | 108.4° | 109.5° |
| C12 | C13 | H32 | 107.8° | 109.5° |
| C10 | C11 | H10 | 108.0° | 109.5° |
| C10 | C11 | H11 | 108.0° | 109.4° |
| C11 | C10 | H12 | 108.9° | 109.5° |
| C11 | C10 | H13 | 108.9° | 109.4° |
| C13 | C14 | C15 | 115.1° | 109.5° |
| C13 | C14 | H6 | 108.0° | 109.4° |
| C14 | C13 | H7 | 107.7° | 109.5° |
| C13 | C14 | H31 | 108.0° | 109.5° |
| C14 | C13 | H32 | 107.7° | 109.5° |
| C14 | C15 | C16 | 119.6° | 109.5° |
| C14 | C15 | H4 | 106.9° | 109.5° |
| C14 | C15 | H5 | 106.9° | 109.5° |
| C15 | C14 | H6 | 108.1° | 109.5° |
| C15 | C14 | H31 | 108.0° | 109.5° |
| C3 | C4 | C5 | 115.7° | 109.5° |
| C4 | C3 | H18 | 109.2° | 109.5° |
| C4 | C3 | H19 | 109.2° | 109.5° |
| C3 | C4 | H20 | 107.9° | 109.5° |
| C3 | C4 | H21 | 107.9° | 109.5° |
| C4 | C5 | C6 | 109.1° | 109.5° |
| C5 | C4 | H20 | 107.9° | 109.5° |
| C5 | C4 | H21 | 107.9° | 109.5° |
| C4 | C5 | H22 | 109.6° | 109.4° |
| C4 | C5 | H23 | 109.6° | 109.5° |
| C15 | C16 | C17 | 108.6° | 109.5° |
| C15 | C16 | H2 | 109.7° | 109.5° |
| C15 | C16 | H3 | 109.7° | 109.5° |
| C16 | C15 | H4 | 106.9° | 109.5° |
| C16 | C15 | H5 | 106.9° | 109.5° |
| C5 | C6 | C7 | 114.6° | 109.5° |
| C6 | C5 | H22 | 109.6° | 109.5° |
| C6 | C5 | H23 | 109.6° | 109.5° |
| C5 | C6 | H24 | 108.2° | 109.5° |
| C5 | C6 | H25 | 108.2° | 109.5° |
| C16 | C17 | O19 | 121.1° | 120.0° |
| C16 | C17 | O18 | 116.6° | 120.0° |
| C17 | C16 | H2 | 109.7° | 109.4° |
| C17 | C16 | H3 | 109.7° | 109.5° |
| O19 | C17 | O18 | 122.3° | 120.0° |
| C17 | O18 | H1 | 109.5° | 117.0° |
| C6 | C7 | C8 | 110.0° | 109.5° |
| C7 | C6 | H24 | 108.2° | 109.5° |
| C7 | C6 | H25 | 108.2° | 109.5° |
| C6 | C7 | H26 | 109.4° | 109.5° |
| C6 | C7 | H27 | 109.4° | 109.5° |
| C7 | C8 | O9 | 111.3° | 109.5° |
| C8 | C7 | H26 | 109.3° | 109.5° |
| C8 | C7 | H27 | 109.3° | 109.4° |
| C7 | C8 | H28 | 109.0° | 109.5° |
| C7 | C8 | H29 | 109.0° | 109.4° |
| O9 | C8 | H28 | 109.0° | 109.5° |
| O9 | C8 | H29 | 109.0° | 109.4° |
| C8 | O9 | H30 | 109.5° | 114.1° |
| H2 | C16 | H3 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C14 | H31 | 109.5° | 109.5° |
| H7 | C13 | H32 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.4° | 109.4° |
| H10 | C11 | H11 | 109.4° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H20 | C4 | H21 | 109.5° | 109.5° |
| H22 | C5 | H23 | 109.5° | 109.5° |
| H24 | C6 | H25 | 109.4° | 109.4° |
| H26 | C7 | H27 | 109.4° | 109.4° |
| H28 | C8 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H14 | 120.7° | 120.0° |
| C2 | C1 | C10 | H15 | 120.7° | 120.0° |
| C1 | C2 | C3 | H16 | 120.4° | 119.9° |
| C1 | C2 | C3 | H17 | 120.4° | 120.0° |
| C2 | C1 | C10 | C11 | 172.1° | 180.0° |
| C1 | C2 | C3 | C4 | 120.8° | 180.0° |
| C2 | C1 | C10 | H12 | 51.8° | 60.0° |
| C2 | C1 | C10 | H13 | 67.5° | 60.0° |
| C2 | C1 | H14 | H15 | 117.7° | 120.0° |
| C1 | C2 | H16 | H17 | 118.8° | 120.0° |
| C1 | C2 | C3 | H18 | 0.6° | 60.0° |
| C1 | C2 | C3 | H19 | 119.1° | 60.0° |
| C10 | C1 | C2 | C3 | 77.5° | 180.0° |
| C1 | C10 | C11 | C12 | 124.2° | 180.0° |
| C1 | C10 | C11 | H12 | 120.3° | 120.1° |
| C1 | C10 | C11 | H13 | 120.3° | 120.0° |
| C1 | C10 | C11 | H10 | 114.9° | 59.9° |
| C1 | C10 | C11 | H11 | 3.4° | 60.0° |
| C1 | C10 | H12 | H13 | 119.0° | 120.0° |
| C10 | C1 | H14 | H15 | 117.8° | 120.0° |
| C10 | C1 | C2 | H16 | 162.1° | 60.0° |
| C10 | C1 | C2 | H17 | 42.9° | 60.0° |
| C2 | C3 | C4 | H18 | 120.2° | 120.0° |
| C2 | C3 | C4 | H19 | 120.1° | 120.0° |
| C2 | C3 | C4 | C5 | 117.6° | 180.0° |
| C3 | C2 | C1 | H14 | 161.8° | 60.0° |
| C3 | C2 | C1 | H15 | 43.3° | 60.0° |
| C3 | C2 | H16 | H17 | 118.7° | 120.1° |
| C2 | C3 | H18 | H19 | 119.5° | 119.9° |
| C2 | C3 | C4 | H20 | 121.4° | 60.0° |
| C2 | C3 | C4 | H21 | 3.3° | 60.0° |
| C11 | C12 | C13 | H8 | 120.6° | 120.0° |
| C11 | C12 | C13 | H9 | 120.6° | 120.0° |
| C12 | C11 | C10 | H10 | 120.9° | 120.1° |
| C12 | C11 | C10 | H11 | 120.9° | 120.0° |
| C11 | C12 | C13 | C14 | 137.2° | 180.0° |
| C11 | C12 | C13 | H7 | 101.8° | 60.0° |
| C11 | C12 | H8 | H9 | 118.1° | 120.0° |
| C12 | C11 | H10 | H11 | 117.3° | 120.0° |
| C12 | C11 | C10 | H12 | 115.5° | 59.9° |
| C12 | C11 | C10 | H13 | 3.9° | 60.0° |
| C11 | C12 | C13 | H32 | 16.2° | 60.0° |
| C13 | C12 | C11 | C10 | 125.2° | 180.0° |
| C12 | C13 | C14 | H7 | 121.0° | 120.0° |
| C12 | C13 | C14 | H32 | 121.0° | 120.0° |
| C12 | C13 | C14 | C15 | 177.0° | 180.0° |
| C12 | C13 | C14 | H6 | 62.1° | 60.0° |
| C12 | C13 | H7 | H32 | 116.9° | 120.0° |
| C13 | C12 | H8 | H9 | 118.1° | 120.0° |
| C13 | C12 | C11 | H10 | 4.3° | 60.0° |
| C13 | C12 | C11 | H11 | 114.0° | 60.0° |
| C12 | C13 | C14 | H31 | 56.2° | 60.0° |
| C10 | C11 | C12 | H8 | 4.5° | 60.0° |
| C10 | C11 | C12 | H9 | 114.2° | 60.0° |
| C10 | C11 | H10 | H11 | 117.3° | 119.9° |
| C11 | C10 | H12 | H13 | 119.0° | 119.9° |
| C11 | C10 | C1 | H14 | 67.1° | 60.0° |
| C11 | C10 | C1 | H15 | 51.4° | 60.0° |
| C13 | C14 | C15 | H6 | 120.8° | 120.0° |
| C13 | C14 | C15 | H31 | 120.8° | 120.0° |
| C13 | C14 | C15 | C16 | 96.4° | 180.0° |
| C13 | C14 | C15 | H4 | 142.1° | 60.0° |
| C13 | C14 | C15 | H5 | 25.0° | 60.0° |
| C13 | C14 | H6 | H31 | 117.4° | 120.0° |
| C14 | C13 | H7 | H32 | 116.9° | 120.0° |
| C14 | C13 | C12 | H8 | 16.6° | 60.0° |
| C14 | C13 | C12 | H9 | 102.2° | 60.0° |
| C14 | C15 | C16 | H4 | 121.4° | 120.0° |
| C14 | C15 | C16 | H5 | 121.4° | 120.0° |
| C14 | C15 | C16 | C17 | 173.6° | 180.0° |
| C14 | C15 | C16 | H2 | 53.7° | 60.0° |
| C14 | C15 | C16 | H3 | 66.6° | 59.9° |
| C14 | C15 | H4 | H5 | 115.4° | 120.0° |
| C15 | C14 | H6 | H31 | 117.4° | 120.0° |
| C15 | C14 | C13 | H7 | 56.1° | 60.0° |
| C15 | C14 | C13 | H32 | 62.0° | 60.0° |
| C3 | C4 | C5 | H20 | 120.9° | 120.0° |
| C3 | C4 | C5 | H21 | 120.9° | 120.0° |
| C3 | C4 | C5 | C6 | 135.1° | 180.0° |
| C4 | C3 | C2 | H16 | 118.8° | 60.1° |
| C4 | C3 | C2 | H17 | 0.3° | 60.0° |
| C4 | C3 | H18 | H19 | 119.6° | 120.1° |
| C3 | C4 | H20 | H21 | 117.2° | 120.0° |
| C3 | C4 | C5 | H22 | 104.9° | 60.1° |
| C3 | C4 | C5 | H23 | 15.2° | 60.0° |
| C4 | C5 | C6 | H22 | 120.0° | 119.9° |
| C4 | C5 | C6 | H23 | 119.9° | 120.0° |
| C4 | C5 | C6 | C7 | 148.6° | 180.0° |
| C5 | C4 | C3 | H18 | 2.5° | 60.0° |
| C5 | C4 | C3 | H19 | 122.2° | 60.0° |
| C5 | C4 | H20 | H21 | 117.2° | 120.0° |
| C4 | C5 | H22 | H23 | 120.2° | 120.0° |
| C4 | C5 | C6 | H24 | 90.6° | 60.0° |
| C4 | C5 | C6 | H25 | 27.8° | 60.0° |
| C15 | C16 | C17 | H2 | 119.9° | 120.0° |
| C15 | C16 | C17 | H3 | 119.8° | 120.1° |
| C15 | C16 | C17 | O19 | 61.8° | 0.0° |
| C15 | C16 | C17 | O18 | 121.0° | 179.8° |
| C15 | C16 | H2 | H3 | 120.4° | 120.0° |
| C16 | C15 | H4 | H5 | 115.4° | 120.0° |
| C16 | C15 | C14 | H6 | 24.4° | 60.0° |
| C16 | C15 | C14 | H31 | 142.8° | 60.0° |
| C5 | C6 | C7 | H24 | 120.8° | 120.0° |
| C5 | C6 | C7 | H25 | 120.8° | 120.0° |
| C5 | C6 | C7 | C8 | 166.8° | 180.0° |
| C6 | C5 | C4 | H20 | 14.2° | 60.0° |
| C6 | C5 | C4 | H21 | 104.0° | 60.0° |
| C6 | C5 | H22 | H23 | 120.2° | 120.1° |
| C5 | C6 | H24 | H25 | 117.7° | 120.0° |
| C5 | C6 | C7 | H26 | 46.7° | 60.0° |
| C5 | C6 | C7 | H27 | 73.1° | 60.0° |
| C16 | C17 | O19 | O18 | 177.1° | 179.8° |
| C16 | C17 | O18 | H1 | 177.1° | 179.7° |
| C17 | C16 | H2 | H3 | 120.4° | 120.0° |
| C17 | C16 | C15 | H4 | 65.0° | 60.0° |
| C17 | C16 | C15 | H5 | 52.2° | 60.0° |
| O19 | C17 | O18 | H1 | 0.0° | 0.0° |
| O19 | C17 | C16 | H2 | 178.3° | 120.0° |
| O19 | C17 | C16 | H3 | 58.0° | 120.1° |
| O18 | C17 | C16 | H2 | 1.1° | 60.2° |
| O18 | C17 | C16 | H3 | 119.2° | 59.7° |
| C6 | C7 | C8 | H26 | 120.1° | 120.0° |
| C6 | C7 | C8 | H27 | 120.1° | 120.0° |
| C6 | C7 | C8 | O9 | 177.4° | 180.0° |
| C7 | C6 | C5 | H22 | 28.6° | 60.1° |
| C7 | C6 | C5 | H23 | 91.5° | 60.0° |
| C7 | C6 | H24 | H25 | 117.7° | 120.0° |
| C6 | C7 | H26 | H27 | 119.8° | 120.0° |
| C6 | C7 | C8 | H28 | 57.2° | 60.0° |
| C6 | C7 | C8 | H29 | 62.3° | 60.1° |
| C7 | C8 | O9 | H28 | 120.3° | 120.0° |
| C7 | C8 | O9 | H29 | 120.3° | 119.9° |
| C8 | C7 | C6 | H24 | 72.5° | 59.9° |
| C8 | C7 | C6 | H25 | 46.0° | 60.0° |
| C8 | C7 | H26 | H27 | 119.7° | 120.0° |
| C7 | C8 | H28 | H29 | 119.2° | 120.0° |
| C7 | C8 | O9 | H30 | 180.0° | 180.0° |
| O9 | C8 | C7 | H26 | 62.5° | 60.0° |
| O9 | C8 | C7 | H27 | 57.3° | 60.0° |
| O9 | C8 | H28 | H29 | 119.1° | 120.0° |
| H2 | C16 | C15 | H4 | 175.2° | 180.0° |
| H2 | C16 | C15 | H5 | 67.7° | 60.0° |
| H3 | C16 | C15 | H4 | 54.9° | 60.0° |
| H3 | C16 | C15 | H5 | 172.0° | 180.0° |
| H4 | C15 | C14 | H6 | 97.0° | 180.0° |
| H4 | C15 | C14 | H31 | 21.3° | 60.0° |
| H5 | C15 | C14 | H6 | 145.8° | 60.0° |
| H5 | C15 | C14 | H31 | 95.8° | 180.0° |
| H6 | C14 | C13 | H7 | 176.9° | 179.9° |
| H6 | C14 | C13 | H32 | 58.9° | 60.0° |
| H7 | C13 | C12 | H8 | 137.5° | 180.0° |
| H7 | C13 | C12 | H9 | 18.8° | 60.0° |
| H7 | C13 | C14 | H31 | 64.7° | 59.9° |
| H8 | C12 | C11 | H10 | 116.3° | 180.0° |
| H8 | C12 | C11 | H11 | 125.4° | 60.0° |
| H8 | C12 | C13 | H32 | 104.4° | 60.0° |
| H9 | C12 | C11 | H10 | 124.9° | 60.0° |
| H9 | C12 | C11 | H11 | 6.7° | 180.0° |
| H9 | C12 | C13 | H32 | 136.9° | 180.0° |
| H10 | C11 | C10 | H12 | 5.4° | NaN° |
| H10 | C11 | C10 | H13 | 124.8° | 60.1° |
| H11 | C11 | C10 | H12 | 123.7° | 60.1° |
| H11 | C11 | C10 | H13 | 117.0° | 180.0° |
| H12 | C10 | C1 | H14 | 172.5° | 180.0° |
| H12 | C10 | C1 | H15 | 68.9° | 60.0° |
| H13 | C10 | C1 | H14 | 53.2° | 60.0° |
| H13 | C10 | C1 | H15 | 171.8° | 180.0° |
| H14 | C1 | C2 | H16 | 41.4° | 179.9° |
| H14 | C1 | C2 | H17 | 77.8° | 60.0° |
| H15 | C1 | C2 | H16 | 77.1° | 60.0° |
| H15 | C1 | C2 | H17 | 163.7° | 180.0° |
| H16 | C2 | C3 | H18 | 121.0° | 179.9° |
| H16 | C2 | C3 | H19 | 1.3° | 59.9° |
| H17 | C2 | C3 | H18 | 119.8° | 60.0° |
| H17 | C2 | C3 | H19 | 120.5° | 180.0° |
| H18 | C3 | C4 | H20 | 118.4° | 180.0° |
| H18 | C3 | C4 | H21 | 123.4° | 60.0° |
| H19 | C3 | C4 | H20 | 1.3° | 60.0° |
| H19 | C3 | C4 | H21 | 116.9° | 180.0° |
| H20 | C4 | C5 | H22 | 134.2° | 180.0° |
| H20 | C4 | C5 | H23 | 105.7° | 60.0° |
| H21 | C4 | C5 | H22 | 16.0° | 59.9° |
| H21 | C4 | C5 | H23 | 136.1° | 179.9° |
| H22 | C5 | C6 | H24 | 149.4° | 179.9° |
| H22 | C5 | C6 | H25 | 92.1° | 59.9° |
| H23 | C5 | C6 | H24 | 29.3° | 60.0° |
| H23 | C5 | C6 | H25 | 147.8° | 180.0° |
| H24 | C6 | C7 | H26 | 167.4° | 180.0° |
| H24 | C6 | C7 | H27 | 47.6° | 60.0° |
| H25 | C6 | C7 | H26 | 74.1° | 60.0° |
| H25 | C6 | C7 | H27 | 166.1° | 180.0° |
| H26 | C7 | C8 | H28 | 177.3° | 180.0° |
| H26 | C7 | C8 | H29 | 57.8° | 60.0° |
| H27 | C7 | C8 | H28 | 63.0° | 60.0° |
| H27 | C7 | C8 | H29 | 177.6° | 180.0° |
| H28 | C8 | O9 | H30 | 59.7° | 60.0° |
| H29 | C8 | O9 | H30 | 59.7° | 60.0° |
| H31 | C14 | C13 | H32 | 177.2° | 180.0° |
