YK6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C14 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C17 | C06 | sing | 1.51Å | 1.51Å | |
| O20 | C14 | sing | 1.43Å | 1.60Å | |
| O20 | C13 | sing | 1.43Å | 1.41Å | |
| C06 | C05 | doub | 1.31Å | 1.34Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C09 | O21 | sing | 1.43Å | 1.41Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O21 | C10 | sing | 1.43Å | 1.60Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.51Å | 1.51Å | |
| C10 | C18 | sing | 1.53Å | 1.52Å | |
| C04 | O03 | sing | 1.45Å | 1.41Å | |
| O16 | C02 | doub | 1.21Å | 1.21Å | |
| O03 | C02 | sing | 1.34Å | 1.36Å | |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C14 | O20 | 112.0° | 117.9° |
| C19 | C14 | C13 | 124.4° | 117.8° |
| C19 | C14 | C15 | 116.0° | 115.7° |
| C14 | C19 | H26 | 109.5° | 109.5° |
| C14 | C19 | H27 | 109.5° | 109.5° |
| C14 | C19 | H28 | 109.5° | 109.4° |
| C06 | C07 | C08 | 110.9° | 109.5° |
| C07 | C06 | C17 | 116.2° | 120.0° |
| C07 | C06 | C05 | 119.6° | 120.0° |
| C06 | C07 | H7 | 109.1° | 109.5° |
| C06 | C07 | H8 | 109.1° | 109.5° |
| C07 | C08 | C09 | 112.6° | 109.5° |
| C08 | C07 | H7 | 109.1° | 109.5° |
| C08 | C07 | H8 | 109.1° | 109.4° |
| C07 | C08 | H9 | 108.7° | 109.5° |
| C07 | C08 | H10 | 108.7° | 109.4° |
| C17 | C06 | C05 | 124.3° | 120.0° |
| C06 | C17 | H20 | 109.5° | 109.5° |
| C06 | C17 | H21 | 109.5° | 109.5° |
| C06 | C17 | H22 | 109.5° | 109.4° |
| C14 | O20 | C13 | 56.8° | 64.7° |
| O20 | C14 | C13 | 54.7° | 57.6° |
| O20 | C14 | C15 | 111.8° | 117.8° |
| O20 | C13 | C12 | 110.6° | 117.8° |
| O20 | C13 | C14 | 68.5° | 57.7° |
| O20 | C13 | H16 | 116.3° | 117.8° |
| C06 | C05 | C04 | 126.8° | 120.0° |
| C06 | C05 | H6 | 116.6° | 120.0° |
| C11 | C12 | C13 | 113.0° | 109.5° |
| C12 | C11 | C10 | 114.1° | 109.5° |
| C12 | C11 | H12 | 108.3° | 109.5° |
| C12 | C11 | H13 | 108.3° | 109.4° |
| C11 | C12 | H14 | 108.6° | 109.5° |
| C11 | C12 | H15 | 108.6° | 109.5° |
| C12 | C13 | C14 | 123.3° | 117.7° |
| C13 | C12 | H14 | 108.6° | 109.4° |
| C13 | C12 | H15 | 108.6° | 109.5° |
| C12 | C13 | H16 | 114.1° | 115.7° |
| O21 | C09 | C08 | 112.6° | 117.8° |
| O21 | C09 | C10 | 68.5° | 57.6° |
| C09 | O21 | C10 | 56.6° | 64.7° |
| O21 | C09 | H11 | 116.3° | 117.8° |
| C08 | C09 | C10 | 121.7° | 117.8° |
| C09 | C08 | H9 | 108.7° | 109.5° |
| C09 | C08 | H10 | 108.7° | 109.5° |
| C08 | C09 | H11 | 114.2° | 115.7° |
| C09 | C10 | O21 | 54.8° | 57.6° |
| C09 | C10 | C11 | 118.0° | 117.8° |
| C09 | C10 | C18 | 123.4° | 117.8° |
| C10 | C09 | H11 | 115.7° | 117.8° |
| C13 | C14 | C15 | 118.7° | 117.8° |
| C14 | C13 | H16 | 115.6° | 117.8° |
| C14 | C15 | H17 | 109.5° | 109.4° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| O21 | C10 | C11 | 113.0° | 117.8° |
| O21 | C10 | C18 | 111.9° | 117.8° |
| C11 | C10 | C18 | 117.2° | 115.7° |
| C10 | C11 | H12 | 108.3° | 109.5° |
| C10 | C11 | H13 | 108.3° | 109.5° |
| C05 | C04 | O03 | 109.2° | 109.5° |
| C05 | C04 | H4 | 109.5° | 109.4° |
| C05 | C04 | H5 | 109.5° | 109.5° |
| C04 | C05 | H6 | 116.6° | 119.9° |
| C10 | C18 | H23 | 109.5° | 109.4° |
| C10 | C18 | H24 | 109.4° | 109.5° |
| C10 | C18 | H25 | 109.5° | 109.4° |
| C04 | O03 | C02 | 117.4° | 117.0° |
| O03 | C04 | H4 | 109.5° | 109.5° |
| O03 | C04 | H5 | 109.5° | 109.5° |
| O16 | C02 | O03 | 125.6° | 120.0° |
| O16 | C02 | C01 | 124.6° | 120.0° |
| O03 | C02 | C01 | 109.7° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.4° |
| H9 | C08 | H10 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.4° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.4° |
| H18 | C15 | H19 | 109.4° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H25 | 109.4° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.4° | 109.5° |
| H26 | C19 | H28 | 109.4° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C14 | O20 | C13 | 117.4° | 106.8° |
| C19 | C14 | O20 | C15 | 132.1° | 146.3° |
| C19 | C14 | C13 | C12 | 7.0° | 0.1° |
| C19 | C14 | C13 | C15 | 168.3° | 146.2° |
| C19 | C14 | C13 | H16 | 156.0° | 146.2° |
| C19 | C14 | C15 | H17 | 180.0° | 153.1° |
| C19 | C14 | C15 | H18 | 60.0° | 33.1° |
| C19 | C14 | C15 | H19 | 60.0° | 87.0° |
| C14 | C19 | H26 | H27 | 120.0° | 120.0° |
| C14 | C19 | H26 | H28 | 120.0° | 120.0° |
| C14 | C19 | H27 | H28 | 120.0° | 119.9° |
| C06 | C07 | C08 | H7 | 120.2° | 120.0° |
| C06 | C07 | C08 | H8 | 120.2° | 120.0° |
| C07 | C06 | C17 | C05 | 179.6° | 180.0° |
| C06 | C07 | C08 | C09 | 124.0° | 180.0° |
| C07 | C06 | C05 | C04 | 179.7° | 174.3° |
| C07 | C06 | C05 | H6 | 0.3° | 5.7° |
| C06 | C07 | H7 | H8 | 119.3° | 120.0° |
| C06 | C07 | C08 | H9 | 115.5° | 59.9° |
| C06 | C07 | C08 | H10 | 3.5° | 60.0° |
| C07 | C06 | C17 | H20 | 180.0° | 95.0° |
| C07 | C06 | C17 | H21 | 60.0° | 25.0° |
| C07 | C06 | C17 | H22 | 60.0° | 145.0° |
| C08 | C07 | C06 | C17 | 135.7° | 85.0° |
| C08 | C07 | C06 | C05 | 43.9° | 95.0° |
| C07 | C08 | C09 | O21 | 76.8° | 116.4° |
| C07 | C08 | C09 | H9 | 120.5° | 120.0° |
| C07 | C08 | C09 | H10 | 120.5° | 120.0° |
| C07 | C08 | C09 | C10 | 154.8° | 177.6° |
| C08 | C07 | H7 | H8 | 119.4° | 119.9° |
| C07 | C08 | H9 | H10 | 118.6° | 119.9° |
| C07 | C08 | C09 | H11 | 58.5° | 30.6° |
| C17 | C06 | C05 | C04 | 0.1° | 5.6° |
| C17 | C06 | C05 | H6 | 179.9° | 174.3° |
| C17 | C06 | C07 | H7 | 104.1° | 35.0° |
| C17 | C06 | C07 | H8 | 15.5° | 155.0° |
| C06 | C17 | H20 | H21 | 120.0° | 120.0° |
| C06 | C17 | H20 | H22 | 120.0° | 120.0° |
| C06 | C17 | H21 | H22 | 120.0° | 120.0° |
| O20 | C14 | C13 | C12 | 101.2° | 106.9° |
| O20 | C14 | C13 | C15 | 97.5° | 106.8° |
| C14 | O20 | C13 | H16 | 108.9° | 106.8° |
| O20 | C14 | C15 | H17 | 49.9° | 6.0° |
| O20 | C14 | C15 | H18 | 70.0° | 114.0° |
| O20 | C14 | C15 | H19 | 170.0° | 125.9° |
| O20 | C14 | C19 | H26 | 180.0° | 126.0° |
| O20 | C14 | C19 | H27 | 60.0° | 113.9° |
| O20 | C14 | C19 | H28 | 60.0° | 6.0° |
| O20 | C13 | C12 | C11 | 87.0° | 117.6° |
| O20 | C13 | C12 | H16 | 133.4° | 147.0° |
| O20 | C13 | C12 | H14 | 33.5° | 2.4° |
| O20 | C13 | C12 | H15 | 152.5° | 122.4° |
| C06 | C05 | C04 | H6 | 180.0° | 180.0° |
| C06 | C05 | C04 | O03 | 134.9° | 135.4° |
| C06 | C05 | C04 | H4 | 15.0° | 15.4° |
| C06 | C05 | C04 | H5 | 105.1° | 104.6° |
| C05 | C06 | C07 | H7 | 76.3° | 145.0° |
| C05 | C06 | C07 | H8 | 164.1° | 25.0° |
| C05 | C06 | C17 | H20 | 0.4° | 84.9° |
| C05 | C06 | C17 | H21 | 119.6° | 155.1° |
| C05 | C06 | C17 | H22 | 120.4° | 35.1° |
| C11 | C12 | C13 | H14 | 120.5° | 120.0° |
| C11 | C12 | C13 | H15 | 120.5° | 120.0° |
| C12 | C11 | C10 | C09 | 56.3° | 180.0° |
| C11 | C12 | C13 | C14 | 164.2° | 176.4° |
| C12 | C11 | C10 | O21 | 117.5° | 114.0° |
| C12 | C11 | C10 | H12 | 120.7° | 120.0° |
| C12 | C11 | C10 | H13 | 120.7° | 120.0° |
| C12 | C11 | C10 | C18 | 110.2° | 33.0° |
| C12 | C11 | H12 | H13 | 117.9° | 120.0° |
| C11 | C12 | H14 | H15 | 118.4° | 120.1° |
| C11 | C12 | C13 | H16 | 46.4° | 29.5° |
| C12 | C13 | C14 | H16 | 149.0° | 146.2° |
| C12 | C13 | C14 | C15 | 161.3° | 146.3° |
| C13 | C12 | C11 | C10 | 132.8° | 180.0° |
| C13 | C12 | C11 | H12 | 106.5° | 60.0° |
| C13 | C12 | C11 | H13 | 12.1° | 60.0° |
| C13 | C12 | H14 | H15 | 118.4° | 120.0° |
| O21 | C09 | C08 | C10 | 77.9° | 66.0° |
| O21 | C09 | C08 | H11 | 135.4° | 147.0° |
| O21 | C09 | C10 | H11 | 109.8° | 106.9° |
| C09 | O21 | C10 | C11 | 109.0° | 106.8° |
| O21 | C09 | C10 | C18 | 94.7° | 106.8° |
| O21 | C09 | C08 | H9 | 162.7° | 123.6° |
| O21 | C09 | C08 | H10 | 43.7° | 3.6° |
| C08 | C09 | C10 | H11 | 146.2° | 146.3° |
| C08 | C09 | C10 | C11 | 156.4° | 146.3° |
| C08 | C09 | C10 | C18 | 9.3° | 0.0° |
| C09 | C08 | C07 | H7 | 3.8° | 59.9° |
| C09 | C08 | C07 | H8 | 115.8° | 60.0° |
| C09 | C08 | H9 | H10 | 118.5° | 120.0° |
| C09 | C10 | C11 | C18 | 166.6° | 147.0° |
| C10 | C09 | C08 | H9 | 84.8° | 57.6° |
| C10 | C09 | C08 | H10 | 34.3° | 62.4° |
| C09 | C10 | C11 | H12 | 64.4° | 60.0° |
| C09 | C10 | C11 | H13 | 177.0° | 60.0° |
| C09 | C10 | C18 | H23 | 180.0° | 60.0° |
| C09 | C10 | C18 | H24 | 60.0° | 180.0° |
| C09 | C10 | C18 | H25 | 60.0° | 60.0° |
| C14 | C13 | C12 | H14 | 43.7° | 63.6° |
| C14 | C13 | C12 | H15 | 75.3° | 56.3° |
| C13 | C14 | C15 | H17 | 10.7° | 60.0° |
| C13 | C14 | C15 | H18 | 130.7° | 180.0° |
| C13 | C14 | C15 | H19 | 109.3° | 60.0° |
| C13 | C14 | C19 | H26 | 118.6° | 60.0° |
| C13 | C14 | C19 | H27 | 121.5° | 180.0° |
| C13 | C14 | C19 | H28 | 1.4° | 60.0° |
| C15 | C14 | C13 | H16 | 12.3° | 0.1° |
| C14 | C15 | H17 | H18 | 120.0° | 120.0° |
| C14 | C15 | H17 | H19 | 120.0° | 120.0° |
| C14 | C15 | H18 | H19 | 120.0° | 120.1° |
| C15 | C14 | C19 | H26 | 50.1° | 87.0° |
| C15 | C14 | C19 | H27 | 69.9° | 33.1° |
| C15 | C14 | C19 | H28 | 170.0° | 153.1° |
| O21 | C10 | C11 | C18 | 132.3° | 147.0° |
| O21 | C10 | C11 | H12 | 3.2° | 6.0° |
| O21 | C10 | C11 | H13 | 121.9° | 126.1° |
| O21 | C10 | C18 | H23 | 118.6° | 6.0° |
| O21 | C10 | C18 | H24 | 121.4° | 114.0° |
| O21 | C10 | C18 | H25 | 1.4° | 126.0° |
| C11 | C10 | C09 | H11 | 10.2° | 0.0° |
| C10 | C11 | H12 | H13 | 117.9° | 120.0° |
| C10 | C11 | C12 | H14 | 106.7° | 60.0° |
| C10 | C11 | C12 | H15 | 12.3° | 60.0° |
| C11 | C10 | C18 | H23 | 14.2° | 153.0° |
| C11 | C10 | C18 | H24 | 105.8° | 33.1° |
| C11 | C10 | C18 | H25 | 134.2° | 87.0° |
| C05 | C04 | O03 | H4 | 119.9° | 120.0° |
| C05 | C04 | O03 | H5 | 120.0° | 120.0° |
| C05 | C04 | O03 | C02 | 72.4° | 180.0° |
| C05 | C04 | H4 | H5 | 120.1° | 120.0° |
| C18 | C10 | C09 | H11 | 155.5° | 146.3° |
| C18 | C10 | C11 | H12 | 129.1° | 153.0° |
| C18 | C10 | C11 | H13 | 10.4° | 87.0° |
| C10 | C18 | H23 | H24 | 120.0° | 120.0° |
| C10 | C18 | H23 | H25 | 120.0° | 120.0° |
| C10 | C18 | H24 | H25 | 120.0° | 120.0° |
| C04 | O03 | C02 | O16 | 50.2° | 0.1° |
| C04 | O03 | C02 | C01 | 129.4° | 180.0° |
| O03 | C04 | H4 | H5 | 120.1° | 120.0° |
| O03 | C04 | C05 | H6 | 45.1° | 44.6° |
| O16 | C02 | O03 | C01 | 179.6° | 179.9° |
| O16 | C02 | C01 | H1 | 0.0° | 180.0° |
| O16 | C02 | C01 | H2 | 120.0° | 60.0° |
| O16 | C02 | C01 | H3 | 120.0° | 60.0° |
| O03 | C02 | C01 | H1 | 179.6° | 0.1° |
| O03 | C02 | C01 | H2 | 59.6° | 119.9° |
| O03 | C02 | C01 | H3 | 60.4° | 120.0° |
| C02 | O03 | C04 | H4 | 167.7° | 60.1° |
| C02 | O03 | C04 | H5 | 47.6° | 59.9° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C04 | C05 | H6 | 165.0° | 164.6° |
| H5 | C04 | C05 | H6 | 74.9° | 75.4° |
| H7 | C07 | C08 | H9 | 124.3° | 180.0° |
| H7 | C07 | C08 | H10 | 116.7° | 60.0° |
| H8 | C07 | C08 | H9 | 4.7° | 60.1° |
| H8 | C07 | C08 | H10 | 123.7° | 180.0° |
| H9 | C08 | C09 | H11 | 61.9° | 89.4° |
| H10 | C08 | C09 | H11 | 179.0° | 150.6° |
| H12 | C11 | C12 | H14 | 14.0° | 180.0° |
| H12 | C11 | C12 | H15 | 133.0° | 60.0° |
| H13 | C11 | C12 | H14 | 132.6° | 60.0° |
| H13 | C11 | C12 | H15 | 108.4° | 180.0° |
| H14 | C12 | C13 | H16 | 166.9° | 149.5° |
| H15 | C12 | C13 | H16 | 74.1° | 90.6° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| H20 | C17 | H21 | H22 | 120.0° | 120.0° |
| H23 | C18 | H24 | H25 | 120.0° | 120.1° |
| H26 | C19 | H27 | H28 | 120.0° | 120.0° |
