VU1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH | CH | doub | 1.22Å | 1.19Å | |
| CH | C01 | sing | 1.48Å | 1.54Å | |
| C01 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.56Å | |
| C07 | N01 | sing | 1.47Å | 1.34Å | |
| N01 | C13 | sing | 1.47Å | 1.33Å | |
| N01 | C09 | sing | 1.47Å | 1.32Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| CH | O1 | sing | 1.35Å | 1.45Å | |
| C02 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OH | CH | C01 | 122.6° | 120.0° |
| OH | CH | O1 | 122.3° | 120.0° |
| CH | C01 | C06 | 118.1° | 120.2° |
| CH | C01 | C02 | 119.6° | 120.1° |
| C01 | CH | O1 | 115.1° | 120.1° |
| C06 | C01 | C02 | 122.3° | 119.7° |
| C01 | C06 | C05 | 119.1° | 119.8° |
| C01 | C06 | H13 | 120.5° | 120.1° |
| C01 | C02 | C03 | 117.9° | 119.9° |
| C01 | C02 | H10 | 121.1° | 120.1° |
| C06 | C05 | C04 | 120.1° | 120.2° |
| C06 | C05 | H12 | 119.9° | 119.9° |
| C05 | C06 | H13 | 120.5° | 120.1° |
| C02 | C03 | C04 | 121.7° | 120.1° |
| C03 | C02 | H10 | 121.0° | 120.1° |
| C02 | C03 | H11 | 119.1° | 119.9° |
| C05 | C04 | C03 | 118.9° | 120.3° |
| C05 | C04 | C07 | 121.4° | 119.8° |
| C04 | C05 | H12 | 119.9° | 119.9° |
| C03 | C04 | C07 | 119.8° | 119.8° |
| C04 | C03 | H11 | 119.1° | 120.0° |
| C04 | C07 | N01 | 115.0° | 109.4° |
| C04 | C07 | H14 | 108.1° | 109.5° |
| C04 | C07 | H15 | 108.1° | 109.5° |
| C07 | N01 | C13 | 112.2° | 111.0° |
| C07 | N01 | C09 | 107.1° | 111.0° |
| N01 | C07 | H14 | 108.1° | 109.5° |
| N01 | C07 | H15 | 108.1° | 109.5° |
| C13 | N01 | C09 | 109.8° | 111.2° |
| N01 | C13 | C12 | 115.2° | 109.5° |
| N01 | C13 | H7 | 108.0° | 109.5° |
| N01 | C13 | H8 | 108.0° | 109.5° |
| N01 | C09 | C10 | 115.8° | 109.5° |
| N01 | C09 | H16 | 107.9° | 109.4° |
| N01 | C09 | H17 | 107.9° | 109.4° |
| C13 | C12 | C11 | 110.7° | 109.2° |
| C13 | C12 | H5 | 109.1° | 109.5° |
| C13 | C12 | H6 | 109.2° | 109.5° |
| C12 | C13 | H7 | 108.0° | 109.5° |
| C12 | C13 | H8 | 108.0° | 109.5° |
| C12 | C11 | C10 | 111.6° | 109.2° |
| C12 | C11 | H3 | 108.9° | 109.6° |
| C12 | C11 | H4 | 108.9° | 109.6° |
| C11 | C12 | H5 | 109.2° | 109.5° |
| C11 | C12 | H6 | 109.1° | 109.5° |
| C09 | C10 | C11 | 113.0° | 109.3° |
| C09 | C10 | H1 | 108.6° | 109.5° |
| C09 | C10 | H2 | 108.6° | 109.5° |
| C10 | C09 | H16 | 107.9° | 109.5° |
| C10 | C09 | H17 | 107.9° | 109.4° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C11 | C10 | H2 | 108.6° | 109.6° |
| C10 | C11 | H3 | 108.9° | 109.5° |
| C10 | C11 | H4 | 109.0° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.6° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| CH | O1 | H9 | 109.5° | 117.1° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H16 | C09 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH | CH | C01 | O1 | 179.0° | 180.0° |
| OH | CH | C01 | C06 | 41.2° | 0.0° |
| OH | CH | C01 | C02 | 139.8° | 179.8° |
| OH | CH | O1 | H9 | 0.0° | 0.0° |
| CH | C01 | C06 | C02 | 179.0° | 179.8° |
| CH | C01 | C06 | C05 | 179.9° | 179.7° |
| CH | C01 | C02 | C03 | 179.7° | 180.0° |
| CH | C01 | C02 | H10 | 0.3° | 0.0° |
| CH | C01 | C06 | H13 | 0.1° | 0.0° |
| C01 | CH | O1 | H9 | 179.0° | 180.0° |
| C01 | C06 | C05 | H13 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 1.4° | 0.3° |
| C01 | C06 | C05 | C04 | 0.9° | 0.6° |
| C06 | C01 | CH | O1 | 137.9° | 180.0° |
| C06 | C01 | C02 | H10 | 178.6° | 179.7° |
| C01 | C06 | C05 | H12 | 179.1° | 179.8° |
| C02 | C01 | C06 | C05 | 0.9° | 0.5° |
| C01 | C02 | C03 | H10 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 1.8° | 0.0° |
| C02 | C01 | CH | O1 | 41.2° | 0.2° |
| C01 | C02 | C03 | H11 | 178.2° | 179.9° |
| C02 | C01 | C06 | H13 | 179.1° | 179.7° |
| C06 | C05 | C04 | H12 | 180.0° | 179.7° |
| C06 | C05 | C04 | C03 | 1.3° | 0.4° |
| C06 | C05 | C04 | C07 | 179.5° | 179.7° |
| C02 | C03 | C04 | C05 | 1.8° | 0.1° |
| C02 | C03 | C04 | H11 | 180.0° | 179.9° |
| C02 | C03 | C04 | C07 | 179.0° | 180.0° |
| C05 | C04 | C03 | C07 | 179.2° | 179.9° |
| C05 | C04 | C07 | N01 | 86.9° | 90.1° |
| C05 | C04 | C03 | H11 | 178.2° | 180.0° |
| C04 | C05 | C06 | H13 | 179.1° | 179.7° |
| C05 | C04 | C07 | H14 | 152.2° | 30.0° |
| C05 | C04 | C07 | H15 | 33.9° | 150.0° |
| C03 | C04 | C07 | N01 | 93.9° | 90.0° |
| C04 | C03 | C02 | H10 | 178.2° | 180.0° |
| C03 | C04 | C05 | H12 | 178.7° | 180.0° |
| C03 | C04 | C07 | H14 | 27.0° | 149.9° |
| C03 | C04 | C07 | H15 | 145.3° | 29.9° |
| C04 | C07 | N01 | H14 | 120.8° | 120.0° |
| C04 | C07 | N01 | H15 | 120.8° | 120.0° |
| C04 | C07 | N01 | C13 | 59.8° | 170.0° |
| C04 | C07 | N01 | C09 | 179.7° | 65.8° |
| C07 | C04 | C03 | H11 | 1.0° | 0.1° |
| C07 | C04 | C05 | H12 | 0.5° | 0.1° |
| C04 | C07 | H14 | H15 | 117.5° | 120.0° |
| C07 | N01 | C13 | C09 | 118.9° | 124.1° |
| C07 | N01 | C13 | C12 | 176.1° | 174.2° |
| C07 | N01 | C09 | C10 | 177.4° | 174.2° |
| C07 | N01 | C13 | H7 | 55.3° | 65.8° |
| C07 | N01 | C13 | H8 | 63.1° | 54.2° |
| N01 | C07 | H14 | H15 | 117.5° | 120.0° |
| C07 | N01 | C09 | H16 | 61.6° | 54.2° |
| C07 | N01 | C09 | H17 | 56.5° | 65.8° |
| N01 | C13 | C12 | H7 | 120.8° | 120.0° |
| N01 | C13 | C12 | H8 | 120.8° | 120.0° |
| N01 | C13 | C12 | C11 | 53.9° | 59.2° |
| C13 | N01 | C09 | C10 | 60.6° | 61.7° |
| N01 | C13 | C12 | H5 | 66.3° | 179.1° |
| N01 | C13 | C12 | H6 | 174.1° | 60.7° |
| N01 | C13 | H7 | H8 | 117.4° | 120.0° |
| C13 | N01 | C07 | H14 | 61.0° | 50.0° |
| C13 | N01 | C07 | H15 | 179.4° | 70.0° |
| C13 | N01 | C09 | H16 | 60.4° | 178.2° |
| C13 | N01 | C09 | H17 | 178.5° | 58.2° |
| C09 | N01 | C13 | C12 | 65.0° | 61.8° |
| N01 | C09 | C10 | H16 | 120.9° | 120.0° |
| N01 | C09 | C10 | H17 | 120.9° | 120.0° |
| N01 | C09 | C10 | C11 | 46.5° | 59.2° |
| N01 | C09 | C10 | H1 | 167.0° | 60.7° |
| N01 | C09 | C10 | H2 | 74.1° | 179.2° |
| C09 | N01 | C13 | H7 | 174.2° | 58.3° |
| C09 | N01 | C13 | H8 | 55.8° | 178.3° |
| C09 | N01 | C07 | H14 | 59.5° | 174.2° |
| C09 | N01 | C07 | H15 | 58.9° | 54.2° |
| N01 | C09 | H16 | H17 | 117.1° | 120.0° |
| C13 | C12 | C11 | H5 | 120.2° | 119.9° |
| C13 | C12 | C11 | H6 | 120.2° | 120.0° |
| C13 | C12 | C11 | C10 | 36.9° | 57.7° |
| C13 | C12 | C11 | H3 | 157.2° | 62.2° |
| C13 | C12 | C11 | H4 | 83.4° | 177.6° |
| C13 | C12 | H5 | H6 | 119.4° | 120.2° |
| C12 | C13 | H7 | H8 | 117.4° | 120.0° |
| C12 | C11 | C10 | C09 | 34.1° | 57.7° |
| C12 | C11 | C10 | H3 | 120.3° | 120.0° |
| C12 | C11 | C10 | H4 | 120.3° | 119.9° |
| C12 | C11 | C10 | H1 | 154.6° | 62.2° |
| C12 | C11 | C10 | H2 | 86.4° | 177.7° |
| C12 | C11 | H3 | H4 | 119.0° | 120.2° |
| C11 | C12 | H5 | H6 | 119.4° | 120.1° |
| C11 | C12 | C13 | H7 | 174.7° | 60.8° |
| C11 | C12 | C13 | H8 | 66.9° | 179.2° |
| C09 | C10 | C11 | H1 | 120.5° | 119.9° |
| C09 | C10 | C11 | H2 | 120.5° | 120.0° |
| C09 | C10 | H1 | H2 | 118.4° | 120.1° |
| C09 | C10 | C11 | H3 | 154.4° | 62.3° |
| C09 | C10 | C11 | H4 | 86.2° | 177.6° |
| C10 | C09 | H16 | H17 | 117.1° | 120.0° |
| C11 | C10 | H1 | H2 | 118.4° | 120.1° |
| C10 | C11 | H3 | H4 | 119.1° | 120.0° |
| C10 | C11 | C12 | H5 | 83.2° | 177.6° |
| C10 | C11 | C12 | H6 | 157.1° | 62.3° |
| C11 | C10 | C09 | H16 | 74.4° | 179.2° |
| C11 | C10 | C09 | H17 | 167.4° | 60.8° |
| H1 | C10 | C11 | H3 | 85.1° | 177.8° |
| H1 | C10 | C11 | H4 | 34.3° | 57.7° |
| H1 | C10 | C09 | H16 | 46.1° | 59.3° |
| H1 | C10 | C09 | H17 | 72.1° | 179.3° |
| H2 | C10 | C11 | H3 | 33.9° | 57.7° |
| H2 | C10 | C11 | H4 | 153.3° | 62.4° |
| H2 | C10 | C09 | H16 | 165.0° | 60.8° |
| H2 | C10 | C09 | H17 | 46.9° | 59.2° |
| H3 | C11 | C12 | H5 | 37.1° | 57.7° |
| H3 | C11 | C12 | H6 | 82.6° | 177.8° |
| H4 | C11 | C12 | H5 | 156.4° | 62.5° |
| H4 | C11 | C12 | H6 | 36.8° | 57.6° |
| H5 | C12 | C13 | H7 | 54.5° | 59.1° |
| H5 | C12 | C13 | H8 | 172.9° | 60.9° |
| H6 | C12 | C13 | H7 | 65.1° | 179.3° |
| H6 | C12 | C13 | H8 | 53.2° | 59.3° |
| H10 | C02 | C03 | H11 | 1.8° | 0.1° |
| H12 | C05 | C06 | H13 | 0.9° | 0.0° |
