TK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C04 | sing | 1.43Å | 1.22Å | |
| O09 | C05 | sing | 1.43Å | 1.24Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| O11 | C03 | sing | 1.43Å | 1.25Å | |
| C04 | C03 | sing | 1.53Å | 1.57Å | |
| C03 | C02 | sing | 1.53Å | 1.35Å | |
| C06 | O08 | doub | 1.21Å | 1.27Å | |
| C06 | O07 | sing | 1.34Å | 1.25Å | |
| C02 | O01 | sing | 1.43Å | 1.18Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| O01 | H3 | sing | 0.97Å | 0.95Å | |
| O07 | H4 | sing | 0.97Å | 0.95Å | |
| O09 | H5 | sing | 0.97Å | 0.95Å | |
| O10 | H6 | sing | 0.97Å | 0.95Å | |
| O11 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C04 | C05 | 111.1° | 109.5° |
| O10 | C04 | C03 | 111.6° | 109.4° |
| O10 | C04 | H041 | 113.0° | 109.5° |
| C04 | O10 | H6 | 109.5° | 114.0° |
| O09 | C05 | C04 | 111.5° | 109.5° |
| O09 | C05 | C06 | 110.5° | 109.5° |
| O09 | C05 | H051 | 109.9° | 109.4° |
| C05 | O09 | H5 | 109.5° | 114.0° |
| C04 | C05 | C06 | 112.9° | 109.5° |
| C05 | C04 | C03 | 105.3° | 109.5° |
| C05 | C04 | H041 | 107.8° | 109.5° |
| C04 | C05 | H051 | 105.8° | 109.5° |
| C05 | C06 | O08 | 118.7° | 120.0° |
| C05 | C06 | O07 | 122.1° | 120.0° |
| C06 | C05 | H051 | 106.0° | 109.5° |
| O11 | C03 | C04 | 106.3° | 109.5° |
| O11 | C03 | C02 | 98.0° | 109.5° |
| O11 | C03 | H031 | 112.3° | 109.5° |
| C03 | O11 | H7 | 109.5° | 114.0° |
| C04 | C03 | C02 | 121.5° | 109.4° |
| C04 | C03 | H031 | 107.6° | 109.5° |
| C03 | C04 | H041 | 107.6° | 109.5° |
| C03 | C02 | O01 | 167.2° | 109.5° |
| C03 | C02 | H1 | 93.7° | 109.5° |
| C03 | C02 | H2 | 93.7° | 109.5° |
| C02 | C03 | H031 | 110.7° | 109.5° |
| O08 | C06 | O07 | 119.2° | 120.0° |
| C06 | O07 | H4 | 109.5° | 116.9° |
| O01 | C02 | H1 | 93.7° | 109.4° |
| O01 | C02 | H2 | 93.7° | 109.5° |
| C02 | O01 | H3 | 109.5° | 114.0° |
| H1 | C02 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C04 | C05 | O09 | 44.7° | 65.0° |
| O10 | C04 | C05 | C03 | 121.0° | 120.0° |
| O10 | C04 | C05 | H041 | 124.3° | 120.0° |
| O10 | C04 | C05 | C06 | 169.8° | 55.0° |
| O10 | C04 | C03 | O11 | 40.2° | 65.0° |
| O10 | C04 | C03 | H041 | 124.5° | 120.0° |
| O10 | C04 | C03 | C02 | 70.3° | 55.0° |
| O10 | C04 | C03 | H031 | 160.7° | 175.0° |
| O10 | C04 | C05 | H051 | 74.7° | 175.0° |
| O09 | C05 | C04 | C06 | 125.1° | 120.0° |
| O09 | C05 | C04 | H051 | 119.4° | 120.0° |
| O09 | C05 | C06 | H051 | 119.0° | 119.9° |
| O09 | C05 | C04 | C03 | 165.7° | 55.0° |
| O09 | C05 | C06 | O08 | 13.3° | 5.0° |
| O09 | C05 | C06 | O07 | 164.7° | 175.0° |
| O09 | C05 | C04 | H041 | 79.6° | 175.0° |
| C04 | C05 | C06 | H051 | 115.4° | 120.0° |
| C05 | C04 | C03 | O11 | 80.5° | 55.0° |
| C05 | C04 | C03 | H041 | 114.8° | 120.0° |
| C05 | C04 | C03 | C02 | 169.1° | 175.0° |
| C04 | C05 | C06 | O08 | 112.3° | 115.0° |
| C04 | C05 | C06 | O07 | 69.7° | 65.0° |
| C05 | C04 | C03 | H031 | 40.1° | 65.0° |
| C04 | C05 | O09 | H5 | 120.3° | 60.0° |
| C05 | C04 | O10 | H6 | 180.0° | 60.0° |
| C06 | C05 | C04 | C03 | 69.2° | 175.0° |
| C05 | C06 | O08 | O07 | 178.0° | 180.0° |
| C06 | C05 | C04 | H041 | 45.5° | 65.0° |
| C05 | C06 | O07 | H4 | 177.9° | 180.0° |
| C06 | C05 | O09 | H5 | 6.1° | 60.0° |
| O11 | C03 | C04 | C02 | 110.5° | 120.0° |
| O11 | C03 | C04 | H031 | 120.5° | 120.0° |
| O11 | C03 | C02 | H031 | 117.6° | 120.0° |
| O11 | C03 | C02 | O01 | 66.6° | 65.1° |
| O11 | C03 | C02 | H1 | 168.3° | 175.0° |
| O11 | C03 | C02 | H2 | 58.4° | 54.9° |
| O11 | C03 | C04 | H041 | 164.7° | 175.0° |
| C04 | C03 | C02 | H031 | 127.7° | 120.0° |
| C04 | C03 | C02 | O01 | 178.6° | 175.0° |
| C04 | C03 | C02 | H1 | 53.5° | 55.0° |
| C04 | C03 | C02 | H2 | 56.3° | 65.0° |
| C03 | C04 | C05 | H051 | 46.3° | 65.0° |
| C03 | C04 | O10 | H6 | 62.8° | 60.0° |
| C04 | C03 | O11 | H7 | 180.0° | 60.1° |
| C03 | C02 | O01 | H1 | 125.1° | 120.0° |
| C03 | C02 | O01 | H2 | 125.1° | 120.0° |
| C03 | C02 | H1 | H2 | 95.2° | 120.1° |
| C02 | C03 | C04 | H041 | 54.2° | 65.0° |
| C03 | C02 | O01 | H3 | 180.0° | 180.0° |
| C02 | C03 | O11 | H7 | 53.8° | 59.9° |
| O08 | C06 | C05 | H051 | 132.3° | 125.0° |
| O08 | C06 | O07 | H4 | 0.0° | 0.0° |
| O07 | C06 | C05 | H051 | 45.7° | 55.1° |
| O01 | C02 | H1 | H2 | 95.2° | 120.0° |
| O01 | C02 | C03 | H031 | 50.9° | 55.0° |
| H1 | C02 | C03 | H031 | 74.2° | 65.0° |
| H1 | C02 | O01 | H3 | 54.9° | 60.0° |
| H2 | C02 | C03 | H031 | 176.0° | 175.0° |
| H2 | C02 | O01 | H3 | 54.9° | 60.0° |
| H031 | C03 | C04 | H041 | 74.8° | 55.0° |
| H031 | C03 | O11 | H7 | 62.5° | 180.0° |
| H041 | C04 | C05 | H051 | 161.0° | 55.0° |
| H041 | C04 | O10 | H6 | 58.6° | 180.0° |
| H051 | C05 | O09 | H5 | 122.7° | 180.0° |
