Y7R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C02 | sing | 1.51Å | 1.51Å | |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | doub | 1.31Å | 1.32Å | |
| C03 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| O15 | C14 | doub | 1.21Å | 1.18Å | |
| C18 | C06 | sing | 1.51Å | 1.52Å | |
| C06 | C07 | doub | 1.31Å | 1.31Å | |
| C14 | C16 | sing | 1.51Å | 1.52Å | |
| C14 | O13 | sing | 1.34Å | 1.40Å | |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| O13 | C12 | sing | 1.45Å | 1.40Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | doub | 1.31Å | 1.31Å | |
| C09 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C17 | sing | 1.51Å | 1.52Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | 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 | C02 | C01 | 117.6° | 120.0° |
| C19 | C02 | C03 | 120.7° | 119.9° |
| C02 | C19 | H26 | 109.5° | 109.4° |
| C02 | C19 | H27 | 109.5° | 109.5° |
| C02 | C19 | H28 | 109.5° | 109.5° |
| C01 | C02 | C03 | 121.7° | 120.1° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C03 | C04 | 118.5° | 120.0° |
| C02 | C03 | H10 | 120.7° | 120.1° |
| C03 | C04 | C05 | 116.3° | 109.4° |
| C04 | C03 | H10 | 120.7° | 120.0° |
| C03 | C04 | H11 | 107.7° | 109.5° |
| C03 | C04 | H12 | 107.7° | 109.4° |
| C04 | C05 | C06 | 105.3° | 109.4° |
| C05 | C04 | H11 | 107.8° | 109.5° |
| C05 | C04 | H12 | 107.8° | 109.5° |
| C04 | C05 | H13 | 110.5° | 109.5° |
| C04 | C05 | H14 | 110.5° | 109.5° |
| C05 | C06 | C18 | 117.4° | 120.0° |
| C05 | C06 | C07 | 122.1° | 120.0° |
| C06 | C05 | H13 | 110.5° | 109.4° |
| C06 | C05 | H14 | 110.5° | 109.5° |
| O15 | C14 | C16 | 118.9° | 120.0° |
| O15 | C14 | O13 | 119.6° | 120.0° |
| C18 | C06 | C07 | 120.4° | 120.0° |
| C06 | C18 | H23 | 109.5° | 109.5° |
| C06 | C18 | H24 | 109.5° | 109.5° |
| C06 | C18 | H25 | 109.4° | 109.5° |
| C06 | C07 | C08 | 118.7° | 120.0° |
| C06 | C07 | H15 | 120.7° | 120.0° |
| C16 | C14 | O13 | 121.5° | 120.0° |
| C14 | C16 | H4 | 109.5° | 109.5° |
| C14 | C16 | H5 | 109.5° | 109.5° |
| C14 | C16 | H6 | 109.5° | 109.5° |
| C14 | O13 | C12 | 116.3° | 117.0° |
| C07 | C08 | C09 | 118.0° | 109.5° |
| C08 | C07 | H15 | 120.7° | 120.0° |
| C07 | C08 | H16 | 107.3° | 109.5° |
| C07 | C08 | H17 | 107.3° | 109.4° |
| O13 | C12 | C11 | 106.4° | 109.4° |
| O13 | C12 | H2 | 110.2° | 109.5° |
| O13 | C12 | H3 | 110.2° | 109.5° |
| C08 | C09 | C10 | 104.4° | 109.5° |
| C09 | C08 | H16 | 107.3° | 109.4° |
| C09 | C08 | H17 | 107.3° | 109.5° |
| C08 | C09 | H18 | 110.7° | 109.5° |
| C08 | C09 | H19 | 110.7° | 109.4° |
| C12 | C11 | C10 | 123.3° | 120.0° |
| C12 | C11 | H1 | 118.3° | 120.0° |
| C11 | C12 | H2 | 110.2° | 109.5° |
| C11 | C12 | H3 | 110.2° | 109.5° |
| C11 | C10 | C09 | 116.6° | 120.0° |
| C11 | C10 | C17 | 121.4° | 120.0° |
| C10 | C11 | H1 | 118.4° | 120.0° |
| C09 | C10 | C17 | 122.0° | 120.0° |
| C10 | C09 | H18 | 110.7° | 109.5° |
| C10 | C09 | H19 | 110.7° | 109.5° |
| C10 | C17 | H20 | 109.5° | 109.5° |
| C10 | C17 | H21 | 109.4° | 109.5° |
| C10 | C17 | H22 | 109.5° | 109.4° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.4° |
| H4 | C16 | H6 | 109.4° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.4° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.4° |
| H18 | C09 | H19 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H22 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H26 | C19 | H28 | 109.4° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C02 | C01 | C03 | 179.2° | 180.0° |
| C19 | C02 | C03 | C04 | 179.0° | 174.9° |
| C19 | C02 | C01 | H7 | 180.0° | 125.1° |
| C19 | C02 | C01 | H8 | 60.0° | 5.1° |
| C19 | C02 | C01 | H9 | 60.0° | 114.9° |
| C19 | C02 | C03 | H10 | 1.0° | 5.1° |
| C02 | C19 | H26 | H27 | 120.0° | 120.0° |
| C02 | C19 | H26 | H28 | 120.0° | 120.0° |
| C02 | C19 | H27 | H28 | 120.0° | 120.1° |
| C01 | C02 | C03 | C04 | 0.2° | 5.1° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 179.9° | 174.9° |
| C01 | C02 | C19 | H26 | 180.0° | 0.0° |
| C01 | C02 | C19 | H27 | 60.0° | 120.0° |
| C01 | C02 | C19 | H28 | 60.0° | 120.0° |
| C02 | C03 | C04 | H10 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 168.6° | 124.3° |
| C03 | C02 | C01 | H7 | 0.8° | 55.0° |
| C03 | C02 | C01 | H8 | 120.8° | 174.9° |
| C03 | C02 | C01 | H9 | 119.2° | 65.0° |
| C02 | C03 | C04 | H11 | 47.6° | 115.6° |
| C02 | C03 | C04 | H12 | 70.4° | 4.3° |
| C03 | C02 | C19 | H26 | 0.8° | 180.0° |
| C03 | C02 | C19 | H27 | 119.2° | 60.1° |
| C03 | C02 | C19 | H28 | 120.8° | 60.0° |
| C03 | C04 | C05 | H11 | 121.0° | 120.0° |
| C03 | C04 | C05 | H12 | 121.0° | 120.0° |
| C03 | C04 | C05 | C06 | 153.2° | 180.0° |
| C03 | C04 | H11 | H12 | 116.9° | 120.0° |
| C03 | C04 | C05 | H13 | 87.5° | 60.0° |
| C03 | C04 | C05 | H14 | 33.8° | 60.0° |
| C04 | C05 | C06 | H13 | 119.3° | 120.0° |
| C04 | C05 | C06 | H14 | 119.3° | 120.0° |
| C04 | C05 | C06 | C18 | 67.9° | 85.0° |
| C04 | C05 | C06 | C07 | 110.5° | 95.0° |
| C05 | C04 | C03 | H10 | 11.4° | 55.7° |
| C05 | C04 | H11 | H12 | 116.9° | 120.0° |
| C04 | C05 | H13 | H14 | 121.9° | 120.1° |
| C05 | C06 | C18 | C07 | 178.4° | 180.0° |
| C05 | C06 | C07 | C08 | 178.0° | 175.6° |
| C06 | C05 | C04 | H11 | 32.2° | 60.0° |
| C06 | C05 | C04 | H12 | 85.8° | 60.0° |
| C06 | C05 | H13 | H14 | 122.0° | 120.0° |
| C05 | C06 | C07 | H15 | 2.0° | 4.5° |
| C05 | C06 | C18 | H23 | 180.0° | 94.3° |
| C05 | C06 | C18 | H24 | 60.0° | 145.8° |
| C05 | C06 | C18 | H25 | 60.0° | 25.8° |
| O15 | C14 | C16 | O13 | 179.9° | 180.0° |
| O15 | C14 | O13 | C12 | 130.1° | 0.0° |
| O15 | C14 | C16 | H4 | 0.0° | 90.0° |
| O15 | C14 | C16 | H5 | 120.0° | 30.0° |
| O15 | C14 | C16 | H6 | 120.0° | 150.0° |
| C18 | C06 | C07 | C08 | 0.4° | 4.4° |
| C18 | C06 | C05 | H13 | 51.4° | 155.0° |
| C18 | C06 | C05 | H14 | 172.8° | 35.0° |
| C18 | C06 | C07 | H15 | 179.7° | 175.5° |
| C06 | C18 | H23 | H24 | 120.0° | 120.0° |
| C06 | C18 | H23 | H25 | 120.0° | 120.0° |
| C06 | C18 | H24 | H25 | 120.0° | 120.0° |
| C06 | C07 | C08 | H15 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 114.8° | 125.8° |
| C07 | C06 | C05 | H13 | 130.2° | 25.0° |
| C07 | C06 | C05 | H14 | 8.8° | 145.0° |
| C06 | C07 | C08 | H16 | 124.0° | 114.2° |
| C06 | C07 | C08 | H17 | 6.4° | 5.7° |
| C07 | C06 | C18 | H23 | 1.6° | 85.7° |
| C07 | C06 | C18 | H24 | 118.4° | 34.2° |
| C07 | C06 | C18 | H25 | 121.6° | 154.2° |
| C16 | C14 | O13 | C12 | 50.1° | 180.0° |
| C14 | C16 | H4 | H5 | 120.0° | 120.0° |
| C14 | C16 | H4 | H6 | 120.0° | 120.1° |
| C14 | C16 | H5 | H6 | 120.0° | 120.0° |
| C14 | O13 | C12 | C11 | 77.4° | 180.0° |
| C14 | O13 | C12 | H2 | 42.1° | 60.0° |
| C14 | O13 | C12 | H3 | 163.1° | 60.0° |
| O13 | C14 | C16 | H4 | 179.9° | 90.0° |
| O13 | C14 | C16 | H5 | 59.9° | 150.0° |
| O13 | C14 | C16 | H6 | 60.1° | 30.0° |
| C07 | C08 | C09 | H16 | 121.2° | 120.1° |
| C07 | C08 | C09 | H17 | 121.2° | 120.0° |
| C07 | C08 | C09 | C10 | 146.5° | 180.0° |
| C07 | C08 | H16 | H17 | 116.2° | 120.0° |
| C07 | C08 | C09 | H18 | 27.3° | 60.0° |
| C07 | C08 | C09 | H19 | 94.3° | 60.0° |
| O13 | C12 | C11 | H2 | 119.5° | 120.0° |
| O13 | C12 | C11 | H3 | 119.5° | 120.0° |
| O13 | C12 | C11 | C10 | 149.7° | 135.6° |
| O13 | C12 | C11 | H1 | 30.3° | 44.5° |
| O13 | C12 | H2 | H3 | 121.4° | 120.0° |
| C08 | C09 | C10 | C11 | 47.0° | 94.8° |
| C08 | C09 | C10 | H18 | 119.2° | 120.0° |
| C08 | C09 | C10 | H19 | 119.2° | 119.9° |
| C08 | C09 | C10 | C17 | 131.0° | 85.1° |
| C09 | C08 | C07 | H15 | 65.2° | 54.3° |
| C09 | C08 | H16 | H17 | 116.1° | 120.0° |
| C08 | C09 | H18 | H19 | 122.3° | 119.9° |
| C12 | C11 | C10 | H1 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 177.9° | 174.3° |
| C12 | C11 | C10 | C17 | 0.1° | 5.9° |
| C11 | C12 | H2 | H3 | 121.5° | 120.0° |
| C11 | C10 | C09 | C17 | 178.0° | 179.8° |
| C10 | C11 | C12 | H2 | 30.2° | 15.6° |
| C10 | C11 | C12 | H3 | 90.8° | 104.4° |
| C11 | C10 | C09 | H18 | 72.2° | 145.2° |
| C11 | C10 | C09 | H19 | 166.2° | 25.2° |
| C11 | C10 | C17 | H20 | 180.0° | 86.3° |
| C11 | C10 | C17 | H21 | 60.0° | 153.7° |
| C11 | C10 | C17 | H22 | 60.0° | 33.7° |
| C09 | C10 | C11 | H1 | 2.1° | 5.8° |
| C10 | C09 | C08 | H16 | 92.3° | 60.0° |
| C10 | C09 | C08 | H17 | 25.3° | 60.0° |
| C10 | C09 | H18 | H19 | 122.3° | 120.0° |
| C09 | C10 | C17 | H20 | 2.1° | 93.9° |
| C09 | C10 | C17 | H21 | 117.9° | 26.1° |
| C09 | C10 | C17 | H22 | 122.1° | 146.1° |
| C17 | C10 | C11 | H1 | 179.9° | 174.0° |
| C17 | C10 | C09 | H18 | 109.8° | 35.0° |
| C17 | C10 | C09 | H19 | 11.8° | 155.0° |
| C10 | C17 | H20 | H21 | 120.0° | 120.0° |
| C10 | C17 | H20 | H22 | 120.0° | 120.0° |
| C10 | C17 | H21 | H22 | 120.0° | 119.9° |
| H1 | C11 | C12 | H2 | 149.8° | 164.5° |
| H1 | C11 | C12 | H3 | 89.2° | 75.5° |
| H4 | C16 | H5 | H6 | 120.0° | 120.0° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | C04 | H11 | 132.4° | 64.3° |
| H10 | C03 | C04 | H12 | 109.6° | 175.7° |
| H11 | C04 | C05 | H13 | 151.5° | 179.9° |
| H11 | C04 | C05 | H14 | 87.2° | 60.0° |
| H12 | C04 | C05 | H13 | 33.5° | 59.9° |
| H12 | C04 | C05 | H14 | 154.8° | 180.0° |
| H15 | C07 | C08 | H16 | 56.0° | 65.8° |
| H15 | C07 | C08 | H17 | 173.6° | 174.3° |
| H16 | C08 | C09 | H18 | 148.5° | 60.1° |
| H16 | C08 | C09 | H19 | 26.9° | 180.0° |
| H17 | C08 | C09 | H18 | 93.9° | 180.0° |
| H17 | C08 | C09 | H19 | 144.4° | 60.0° |
| H20 | C17 | H21 | H22 | 120.0° | 120.0° |
| H23 | C18 | H24 | H25 | 120.0° | 120.0° |
| H26 | C19 | H27 | H28 | 120.0° | 120.0° |
