Y8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.50Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C01 | C06 | sing | 1.51Å | 1.52Å | |
| C03 | C04 | sing | 1.50Å | 1.48Å | |
| C06 | O07 | doub | 1.21Å | 1.42Å | |
| C06 | C05 | sing | 1.47Å | 1.53Å | |
| C04 | C05 | doub | 1.38Å | 1.53Å | |
| C04 | O11 | sing | 1.34Å | 1.38Å | |
| C05 | C09 | sing | 1.46Å | 1.54Å | |
| C09 | O12 | doub | 1.21Å | 1.37Å | |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| O11 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 107.2° | 109.3° |
| C02 | C01 | C06 | 115.9° | 107.5° |
| C02 | C01 | H1 | 107.8° | 109.9° |
| C02 | C01 | H2 | 107.8° | 109.9° |
| C01 | C02 | H3 | 110.0° | 109.5° |
| C01 | C02 | H4 | 110.0° | 109.5° |
| C02 | C03 | C04 | 109.3° | 111.1° |
| C03 | C02 | H3 | 110.0° | 109.5° |
| C03 | C02 | H4 | 110.0° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.2° |
| C02 | C03 | H6 | 109.5° | 109.1° |
| C01 | C06 | O07 | 106.4° | 121.1° |
| C01 | C06 | C05 | 115.7° | 117.6° |
| C06 | C01 | H1 | 107.8° | 109.9° |
| C06 | C01 | H2 | 107.8° | 109.8° |
| C03 | C04 | C05 | 118.6° | 122.5° |
| C03 | C04 | O11 | 105.8° | 118.8° |
| C04 | C03 | H5 | 109.5° | 109.1° |
| C04 | C03 | H6 | 109.5° | 109.1° |
| O07 | C06 | C05 | 114.2° | 121.2° |
| C06 | C05 | C04 | 112.6° | 120.0° |
| C06 | C05 | C09 | 117.2° | 120.0° |
| C05 | C04 | O11 | 112.6° | 118.8° |
| C04 | C05 | C09 | 112.6° | 120.0° |
| C04 | O11 | H15 | 109.5° | 117.0° |
| C05 | C09 | O12 | 107.0° | 119.9° |
| C05 | C09 | C10 | 119.1° | 120.0° |
| O12 | C09 | C10 | 105.1° | 120.0° |
| C09 | C10 | H11 | 109.5° | 109.5° |
| C09 | C10 | H12 | 109.5° | 109.5° |
| C09 | C10 | H13 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.9° |
| H3 | C02 | H4 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.1° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H13 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H3 | 119.6° | 119.9° |
| C01 | C02 | C03 | H4 | 119.6° | 120.0° |
| C02 | C01 | C06 | H1 | 120.9° | 119.5° |
| C02 | C01 | C06 | H2 | 120.9° | 119.5° |
| C01 | C02 | C03 | C04 | 67.9° | 53.5° |
| C02 | C01 | C06 | O07 | 124.8° | 137.3° |
| C02 | C01 | C06 | C05 | 3.3° | 42.7° |
| C02 | C01 | H1 | H2 | 117.1° | 121.0° |
| C01 | C02 | H3 | H4 | 121.1° | 120.1° |
| C01 | C02 | C03 | H5 | 52.1° | 173.9° |
| C01 | C02 | C03 | H6 | 172.2° | 66.9° |
| C03 | C02 | C01 | C06 | 48.5° | 63.3° |
| C02 | C03 | C04 | H5 | 120.0° | 120.4° |
| C02 | C03 | C04 | H6 | 120.0° | 120.4° |
| C02 | C03 | C04 | C05 | 35.5° | 22.0° |
| C02 | C03 | C04 | O11 | 163.0° | 157.9° |
| C03 | C02 | C01 | H1 | 169.5° | 56.2° |
| C03 | C02 | C01 | H2 | 72.4° | 177.2° |
| C03 | C02 | H3 | H4 | 121.1° | 120.1° |
| C02 | C03 | H5 | H6 | 120.1° | 119.2° |
| C01 | C06 | O07 | C05 | 128.9° | 180.0° |
| C01 | C06 | C05 | C04 | 36.0° | 11.8° |
| C01 | C06 | C05 | C09 | 168.9° | 168.2° |
| C06 | C01 | H1 | H2 | 117.1° | 120.9° |
| C06 | C01 | C02 | H3 | 168.2° | 56.6° |
| C06 | C01 | C02 | H4 | 71.1° | 176.7° |
| C03 | C04 | C05 | C06 | 16.1° | 0.5° |
| C03 | C04 | C05 | O11 | 124.2° | 180.0° |
| C03 | C04 | C05 | C09 | 151.3° | 179.5° |
| C04 | C03 | C02 | H3 | 172.5° | 66.4° |
| C04 | C03 | C02 | H4 | 51.7° | 173.5° |
| C04 | C03 | H5 | H6 | 120.0° | 119.2° |
| C03 | C04 | O11 | H15 | 180.0° | 175.2° |
| O07 | C06 | C05 | C04 | 88.1° | 168.3° |
| O07 | C06 | C05 | C09 | 44.8° | 11.8° |
| O07 | C06 | C01 | H1 | 114.2° | 103.2° |
| O07 | C06 | C01 | H2 | 3.9° | 17.8° |
| C06 | C05 | C04 | C09 | 135.2° | 180.0° |
| C06 | C05 | C04 | O11 | 108.1° | 179.5° |
| C06 | C05 | C09 | O12 | 23.0° | 113.8° |
| C06 | C05 | C09 | C10 | 141.8° | 66.1° |
| C05 | C06 | C01 | H1 | 117.7° | 76.8° |
| C05 | C06 | C01 | H2 | 124.2° | 162.3° |
| C04 | C05 | C09 | O12 | 155.9° | 66.2° |
| C04 | C05 | C09 | C10 | 85.2° | 113.8° |
| C05 | C04 | C03 | H5 | 84.5° | 142.5° |
| C05 | C04 | C03 | H6 | 155.4° | 98.4° |
| C05 | C04 | O11 | H15 | 49.0° | 4.8° |
| O11 | C04 | C05 | C09 | 27.1° | 0.6° |
| O11 | C04 | C03 | H5 | 43.0° | 37.5° |
| O11 | C04 | C03 | H6 | 77.0° | 81.6° |
| C05 | C09 | O12 | C10 | 127.5° | 180.0° |
| C05 | C09 | C10 | H11 | 119.8° | 2.5° |
| C05 | C09 | C10 | H12 | 120.2° | 122.6° |
| C05 | C09 | C10 | H13 | 0.2° | 117.4° |
| O12 | C09 | C10 | H11 | 0.0° | 177.4° |
| O12 | C09 | C10 | H12 | 120.0° | 57.4° |
| O12 | C09 | C10 | H13 | 120.0° | 62.6° |
| C09 | C10 | H11 | H12 | 120.0° | 120.0° |
| C09 | C10 | H11 | H13 | 120.0° | 120.0° |
| C09 | C10 | H12 | H13 | 120.0° | 120.0° |
| H1 | C01 | C02 | H3 | 70.9° | 176.1° |
| H1 | C01 | C02 | H4 | 49.9° | 63.8° |
| H2 | C01 | C02 | H3 | 47.3° | 62.9° |
| H2 | C01 | C02 | H4 | 168.0° | 57.2° |
| H3 | C02 | C03 | H5 | 67.5° | 54.0° |
| H3 | C02 | C03 | H6 | 52.5° | 173.2° |
| H4 | C02 | C03 | H5 | 171.7° | 66.1° |
| H4 | C02 | C03 | H6 | 68.2° | 53.1° |
| H11 | C10 | H12 | H13 | 120.0° | 119.9° |
