HVS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C06 | doub | 1.21Å | 1.27Å | |
| C06 | O08 | sing | 1.35Å | 1.26Å | |
| C06 | C04 | sing | 1.49Å | 1.52Å | |
| C04 | O05 | doub | 1.22Å | 1.22Å | |
| C04 | C03 | sing | 1.40Å | 1.49Å | |
| C03 | C02 | doub | 1.38Å | 1.35Å | |
| C02 | C01 | sing | 1.51Å | 1.48Å | |
| C02 | C09 | sing | 1.40Å | 1.47Å | |
| C09 | C10 | doub | 1.38Å | 1.39Å | |
| O11 | C10 | sing | 1.35Å | 1.23Å | |
| C10 | C12 | sing | 1.47Å | 1.56Å | |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| O08 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C06 | O08 | 123.3° | 120.0° |
| O07 | C06 | C04 | 117.9° | 120.0° |
| O08 | C06 | C04 | 118.8° | 120.0° |
| C06 | O08 | H2 | 109.5° | 117.0° |
| C06 | C04 | O05 | 116.9° | 120.0° |
| C06 | C04 | C03 | 121.6° | 120.0° |
| O05 | C04 | C03 | 121.4° | 120.1° |
| C04 | C03 | C02 | 128.1° | 120.0° |
| C04 | C03 | H031 | 116.0° | 120.0° |
| C03 | C02 | C01 | 118.5° | 120.0° |
| C03 | C02 | C09 | 123.3° | 120.0° |
| C02 | C03 | H031 | 115.9° | 120.0° |
| C01 | C02 | C09 | 118.2° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C09 | C10 | 123.0° | 120.0° |
| C02 | C09 | H091 | 118.5° | 120.1° |
| C09 | C10 | O11 | 127.7° | 120.0° |
| C09 | C10 | C12 | 119.7° | 120.0° |
| C10 | C09 | H091 | 118.5° | 120.0° |
| O11 | C10 | C12 | 112.6° | 120.0° |
| C10 | C12 | C13 | 123.6° | 120.2° |
| C10 | C12 | C17 | 120.7° | 120.2° |
| C12 | C13 | C14 | 122.2° | 119.8° |
| C13 | C12 | C17 | 115.7° | 119.6° |
| C12 | C13 | H131 | 118.9° | 120.1° |
| C13 | C14 | C15 | 122.2° | 120.2° |
| C14 | C13 | H131 | 118.9° | 120.1° |
| C13 | C14 | H141 | 119.0° | 119.9° |
| C12 | C17 | C16 | 121.7° | 119.9° |
| C12 | C17 | H171 | 119.2° | 120.1° |
| C14 | C15 | C16 | 116.6° | 120.3° |
| C15 | C14 | H141 | 118.9° | 119.9° |
| C14 | C15 | H151 | 121.7° | 119.8° |
| C17 | C16 | C15 | 121.7° | 120.2° |
| C17 | C16 | H161 | 119.2° | 119.9° |
| C16 | C17 | H171 | 119.2° | 120.1° |
| C16 | C15 | H151 | 121.7° | 119.8° |
| C15 | C16 | H161 | 119.1° | 119.9° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C06 | O08 | C04 | 179.3° | 179.9° |
| O07 | C06 | C04 | O05 | 144.5° | 179.9° |
| O07 | C06 | C04 | C03 | 36.9° | 0.1° |
| O07 | C06 | O08 | H2 | 0.0° | 0.2° |
| O08 | C06 | C04 | O05 | 36.1° | 0.0° |
| O08 | C06 | C04 | C03 | 142.5° | 179.9° |
| C06 | C04 | O05 | C03 | 178.6° | 180.0° |
| C06 | C04 | C03 | C02 | 165.2° | 174.8° |
| C06 | C04 | C03 | H031 | 14.8° | 5.2° |
| C04 | C06 | O08 | H2 | 179.4° | 180.0° |
| O05 | C04 | C03 | C02 | 16.3° | 5.2° |
| O05 | C04 | C03 | H031 | 163.7° | 174.8° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.6° | 5.8° |
| C04 | C03 | C02 | C09 | 179.4° | 174.3° |
| C03 | C02 | C01 | C09 | 180.0° | 180.0° |
| C03 | C02 | C09 | C10 | 20.1° | 55.8° |
| C03 | C02 | C01 | H012 | 180.0° | 175.4° |
| C03 | C02 | C01 | H011 | 60.0° | 55.4° |
| C03 | C02 | C01 | H013 | 60.0° | 64.6° |
| C03 | C02 | C09 | H091 | 159.9° | 124.2° |
| C01 | C02 | C09 | C10 | 159.9° | 124.2° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 179.4° | 174.2° |
| C01 | C02 | C09 | H091 | 20.1° | 55.8° |
| C02 | C09 | C10 | H091 | 180.0° | 180.0° |
| C02 | C09 | C10 | O11 | 0.6° | 4.5° |
| C02 | C09 | C10 | C12 | 180.0° | 175.2° |
| C09 | C02 | C01 | H012 | 0.0° | 4.6° |
| C09 | C02 | C01 | H011 | 120.0° | 124.6° |
| C09 | C02 | C01 | H013 | 120.0° | 115.4° |
| C09 | C02 | C03 | H031 | 0.6° | 5.8° |
| C09 | C10 | O11 | C12 | 179.4° | 179.7° |
| C09 | C10 | C12 | C13 | 141.5° | 0.3° |
| C09 | C10 | C12 | C17 | 38.5° | 180.0° |
| O11 | C10 | C12 | C13 | 38.0° | 180.0° |
| O11 | C10 | C12 | C17 | 142.0° | 0.3° |
| O11 | C10 | C09 | H091 | 179.4° | 175.5° |
| C10 | C12 | C13 | C17 | 179.9° | 179.7° |
| C10 | C12 | C13 | C14 | 179.9° | 180.0° |
| C10 | C12 | C17 | C16 | 179.9° | 179.7° |
| C10 | C12 | C13 | H131 | 0.1° | 0.1° |
| C12 | C10 | C09 | H091 | 0.0° | 4.8° |
| C10 | C12 | C17 | H171 | 0.1° | 0.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C17 | C16 | 0.1° | 0.6° |
| C12 | C13 | C14 | H141 | 179.9° | 180.0° |
| C13 | C12 | C17 | H171 | 179.9° | 179.7° |
| C14 | C13 | C12 | C17 | 0.1° | 0.3° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H151 | 179.9° | 180.0° |
| C12 | C17 | C16 | H171 | 180.0° | 179.7° |
| C12 | C17 | C16 | C15 | 0.1° | 0.6° |
| C17 | C12 | C13 | H131 | 179.9° | 179.8° |
| C12 | C17 | C16 | H161 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C15 | C14 | C13 | H131 | 179.9° | 179.9° |
| C14 | C15 | C16 | H161 | 179.9° | 180.0° |
| C17 | C16 | C15 | H161 | 180.0° | 179.7° |
| C17 | C16 | C15 | H151 | 179.9° | 179.7° |
| C16 | C15 | C14 | H141 | 179.9° | 180.0° |
| C15 | C16 | C17 | H171 | 179.9° | 179.7° |
| H131 | C13 | C14 | H141 | 0.1° | 0.1° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H141 | C14 | C15 | H151 | 0.1° | 0.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.0° |
| H161 | C16 | C17 | H171 | 0.1° | 0.0° |
