VTY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C04 | sing | 1.43Å | 1.32Å | |
| C04 | C03 | sing | 1.51Å | 1.47Å | |
| C04 | O05 | sing | 1.46Å | 1.42Å | |
| C03 | C02 | doub | 1.33Å | 1.45Å | |
| O05 | C06 | sing | 1.35Å | 1.42Å | |
| C06 | C02 | sing | 1.47Å | 1.48Å | |
| C06 | O07 | doub | 1.22Å | 1.13Å | |
| C02 | C01 | sing | 1.51Å | 1.57Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C04 | C03 | 120.0° | 110.2° |
| O08 | C04 | O05 | 113.2° | 110.1° |
| O08 | C04 | H041 | 107.6° | 110.2° |
| C04 | O08 | H081 | 109.5° | 114.0° |
| C03 | C04 | O05 | 103.0° | 106.0° |
| C04 | C03 | C02 | 106.3° | 106.9° |
| C04 | C03 | H031 | 126.9° | 126.6° |
| C03 | C04 | H041 | 105.7° | 110.2° |
| C04 | O05 | C06 | 107.8° | 107.6° |
| O05 | C04 | H041 | 106.3° | 110.1° |
| C03 | C02 | C06 | 99.4° | 109.5° |
| C03 | C02 | C01 | 131.3° | 125.2° |
| C02 | C03 | H031 | 126.8° | 126.5° |
| O05 | C06 | C02 | 109.0° | 110.0° |
| O05 | C06 | O07 | 123.8° | 125.0° |
| C02 | C06 | O07 | 126.6° | 125.0° |
| C06 | C02 | C01 | 126.5° | 125.2° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C04 | C03 | O05 | 126.9° | 119.1° |
| O08 | C04 | C03 | H041 | 121.7° | 121.7° |
| O08 | C04 | O05 | H041 | 118.0° | 121.7° |
| O08 | C04 | C03 | C02 | 163.2° | 119.1° |
| O08 | C04 | O05 | C06 | 150.3° | 118.9° |
| O08 | C04 | C03 | H031 | 16.8° | 60.8° |
| C03 | C04 | O05 | H041 | 110.9° | 119.2° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C03 | C04 | O05 | C06 | 19.3° | 0.3° |
| C04 | C03 | C02 | C06 | 37.1° | 0.2° |
| C04 | C03 | C02 | C01 | 161.4° | 180.0° |
| C03 | C04 | O08 | H081 | 180.0° | 180.0° |
| O05 | C04 | C03 | C02 | 36.4° | 0.0° |
| C04 | O05 | C06 | C02 | 3.7° | 0.4° |
| C04 | O05 | C06 | O07 | 168.0° | 179.8° |
| O05 | C04 | C03 | H031 | 143.7° | 180.0° |
| O05 | C04 | O08 | H081 | 58.0° | 63.4° |
| C03 | C02 | C06 | O05 | 25.2° | 0.4° |
| C03 | C02 | C06 | C01 | 162.8° | 179.8° |
| C03 | C02 | C06 | O07 | 146.3° | 179.8° |
| C03 | C02 | C01 | H012 | 180.0° | 89.9° |
| C03 | C02 | C01 | H013 | 60.0° | 150.0° |
| C03 | C02 | C01 | H011 | 60.0° | 30.0° |
| C02 | C03 | C04 | H041 | 75.0° | 119.2° |
| O05 | C06 | C02 | O07 | 171.5° | 179.8° |
| O05 | C06 | C02 | C01 | 172.0° | 179.8° |
| C06 | O05 | C04 | H041 | 91.7° | 119.4° |
| C06 | C02 | C01 | H012 | 22.9° | 90.3° |
| C06 | C02 | C01 | H013 | 97.2° | 29.7° |
| C06 | C02 | C01 | H011 | 142.9° | 149.7° |
| C06 | C02 | C03 | H031 | 142.9° | 179.7° |
| O07 | C06 | C02 | C01 | 16.5° | 0.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C01 | C02 | C03 | H031 | 18.6° | 0.1° |
| H012 | C01 | H013 | H011 | 120.0° | 120.1° |
| H031 | C03 | C04 | H041 | 105.0° | 60.9° |
| H041 | C04 | O08 | H081 | 59.2° | 58.3° |
