VVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.54Å | 1.51Å | |
| C1 | O1 | sing | 1.40Å | 1.25Å | |
| C1 | O2 | sing | 1.41Å | 1.24Å | |
| C4 | C3 | sing | 1.54Å | 1.55Å | |
| O1 | RH1 | sing | 1.80Å | 2.02Å | |
| O2 | RH2 | sing | 1.81Å | 2.00Å | |
| C3 | O7 | sing | 1.42Å | 1.23Å | |
| C3 | O8 | sing | 1.39Å | 1.22Å | |
| O7 | RH1 | sing | 1.81Å | 2.05Å | |
| O8 | RH2 | sing | 1.80Å | 2.07Å | |
| RH1 | RH2 | sing | 2.35Å | 2.38Å | |
| RH1 | O0 | sing | 1.81Å | 2.06Å | |
| RH1 | O3 | sing | 1.80Å | 2.07Å | |
| RH2 | O9 | sing | 1.80Å | 2.08Å | |
| RH2 | O4 | sing | 1.80Å | 2.03Å | |
| O0 | C5 | sing | 1.42Å | 1.23Å | |
| C5 | O9 | sing | 1.40Å | 1.22Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| O3 | C7 | sing | 1.39Å | 1.24Å | |
| O4 | C7 | sing | 1.42Å | 1.25Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C1 | H1 | sing | 1.11Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.11Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.11Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.12Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 119.9° | 108.1° |
| C2 | C1 | O2 | 120.7° | 108.2° |
| C2 | C1 | H1 | 90.1° | 106.3° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| O1 | C1 | O2 | 119.4° | 121.9° |
| C1 | O1 | RH1 | 122.9° | 115.1° |
| O1 | C1 | H1 | 90.1° | 105.5° |
| C1 | O2 | RH2 | 124.1° | 109.5° |
| O2 | C1 | H1 | 90.1° | 105.8° |
| C4 | C3 | O7 | 115.5° | 107.6° |
| C4 | C3 | O8 | 116.6° | 107.6° |
| C4 | C3 | H5 | 91.9° | 106.1° |
| C3 | C4 | H6 | 109.5° | 109.4° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | C4 | H8 | 109.4° | 109.5° |
| O1 | RH1 | O7 | 87.2° | 86.5° |
| O1 | RH1 | RH2 | 86.6° | 83.8° |
| O1 | RH1 | O0 | 88.8° | 89.6° |
| O1 | RH1 | O3 | 175.7° | 168.8° |
| O2 | RH2 | O8 | 89.0° | 90.1° |
| O2 | RH2 | RH1 | 86.8° | 92.8° |
| O2 | RH2 | O9 | 87.9° | 90.9° |
| O2 | RH2 | O4 | 173.0° | 174.6° |
| O7 | C3 | O8 | 127.5° | 122.9° |
| C3 | O7 | RH1 | 119.6° | 108.2° |
| O7 | C3 | H5 | 92.3° | 105.8° |
| C3 | O8 | RH2 | 117.7° | 117.6° |
| O8 | C3 | H5 | 92.3° | 105.7° |
| O7 | RH1 | RH2 | 86.8° | 92.2° |
| O7 | RH1 | O0 | 174.8° | 172.8° |
| O7 | RH1 | O3 | 92.7° | 90.0° |
| O8 | RH2 | RH1 | 88.1° | 86.1° |
| O8 | RH2 | O9 | 175.3° | 168.2° |
| O8 | RH2 | O4 | 92.3° | 89.2° |
| RH2 | RH1 | O0 | 89.5° | 93.5° |
| RH2 | RH1 | O3 | 89.1° | 85.6° |
| RH1 | RH2 | O9 | 88.2° | 82.1° |
| RH1 | RH2 | O4 | 86.3° | 92.5° |
| O0 | RH1 | O3 | 91.0° | 94.9° |
| RH1 | O0 | C5 | 110.3° | 109.0° |
| RH1 | O3 | C7 | 117.0° | 117.1° |
| O9 | RH2 | O4 | 90.3° | 90.8° |
| RH2 | O9 | C5 | 110.6° | 114.1° |
| RH2 | O4 | C7 | 121.6° | 109.2° |
| O0 | C5 | O9 | 139.8° | 120.1° |
| O0 | C5 | C6 | 114.1° | 108.0° |
| O0 | C5 | H9 | 91.4° | 106.6° |
| O9 | C5 | C6 | 105.9° | 107.9° |
| O9 | C5 | H9 | 91.4° | 106.6° |
| C6 | C5 | H9 | 91.1° | 106.9° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H11 | 109.4° | 109.5° |
| C5 | C6 | H12 | 109.5° | 109.5° |
| O3 | C7 | O4 | 126.0° | 122.8° |
| O3 | C7 | C8 | 119.1° | 108.5° |
| O3 | C7 | H13 | 90.1° | 104.8° |
| O4 | C7 | C8 | 114.9° | 109.0° |
| O4 | C7 | H13 | 90.0° | 105.6° |
| C8 | C7 | H13 | 90.0° | 104.6° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.4° | 109.4° |
| C7 | C8 | H16 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H4 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H10 | C6 | H12 | 109.5° | 109.6° |
| H11 | C6 | H12 | 109.5° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H16 | 109.5° | 109.5° |
| H15 | C8 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.7° | 126.2° |
| C2 | C1 | O1 | H1 | 90.2° | 113.4° |
| C2 | C1 | O2 | H1 | 90.2° | 113.6° |
| C2 | C1 | O1 | RH1 | 176.0° | 157.5° |
| C2 | C1 | O2 | RH2 | 178.4° | 123.1° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H4 | 120.0° | 120.0° |
| C1 | C2 | H3 | H4 | 120.0° | 120.0° |
| O1 | C1 | O2 | H1 | 90.2° | 120.3° |
| O1 | C1 | O2 | RH2 | 2.0° | 3.1° |
| C1 | O1 | RH1 | O7 | 90.8° | 130.4° |
| C1 | O1 | RH1 | RH2 | 3.8° | 37.8° |
| C1 | O1 | RH1 | O0 | 85.8° | 55.7° |
| C1 | O1 | RH1 | O3 | 1.9° | 58.0° |
| O1 | C1 | C2 | H2 | 180.0° | 60.0° |
| O1 | C1 | C2 | H3 | 60.0° | 180.0° |
| O1 | C1 | C2 | H4 | 60.0° | 60.0° |
| O2 | C1 | O1 | RH1 | 4.3° | 31.3° |
| C1 | O2 | RH2 | O8 | 87.4° | 61.4° |
| C1 | O2 | RH2 | RH1 | 0.7° | 24.7° |
| C1 | O2 | RH2 | O9 | 89.0° | 106.8° |
| C1 | O2 | RH2 | O4 | 13.9° | 144.9° |
| O2 | C1 | C2 | H2 | 0.3° | 73.9° |
| O2 | C1 | C2 | H3 | 120.3° | 46.1° |
| O2 | C1 | C2 | H4 | 119.7° | 166.1° |
| C4 | C3 | O7 | O8 | 172.1° | 125.8° |
| C4 | C3 | O7 | H5 | 93.2° | 113.1° |
| C4 | C3 | O8 | H5 | 93.3° | 113.1° |
| C4 | C3 | O7 | RH1 | 179.0° | 151.2° |
| C4 | C3 | O8 | RH2 | 178.8° | 122.3° |
| C3 | C4 | H6 | H7 | 120.0° | 119.9° |
| C3 | C4 | H6 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H8 | 119.9° | 120.0° |
| O1 | RH1 | RH2 | O2 | 1.8° | 32.3° |
| O1 | RH1 | O7 | C3 | 83.6° | 51.3° |
| O1 | RH1 | O7 | RH2 | 86.7° | 83.7° |
| O1 | RH1 | O7 | O0 | 40.4° | 57.9° |
| O1 | RH1 | O7 | O3 | 175.7° | 169.3° |
| O1 | RH1 | RH2 | O8 | 87.4° | 57.6° |
| O1 | RH1 | RH2 | O0 | 88.8° | 89.2° |
| O1 | RH1 | RH2 | O3 | 179.9° | 176.1° |
| O1 | RH1 | O0 | O3 | 175.7° | 169.7° |
| O1 | RH1 | RH2 | O9 | 89.8° | 122.8° |
| O1 | RH1 | RH2 | O4 | 179.8° | 146.7° |
| O1 | RH1 | O0 | C5 | 82.2° | 105.3° |
| O1 | RH1 | O3 | C7 | 2.3° | 7.4° |
| RH1 | O1 | C1 | H1 | 85.9° | 89.1° |
| O2 | RH2 | O8 | C3 | 83.9° | 115.0° |
| O2 | RH2 | RH1 | O7 | 89.2° | 118.6° |
| O2 | RH2 | O8 | RH1 | 86.9° | 92.8° |
| O2 | RH2 | O8 | O9 | 49.2° | 95.0° |
| O2 | RH2 | O8 | O4 | 173.1° | 174.7° |
| O2 | RH2 | RH1 | O9 | 88.0° | 90.5° |
| O2 | RH2 | RH1 | O4 | 178.4° | 179.0° |
| O2 | RH2 | RH1 | O0 | 87.0° | 56.9° |
| O2 | RH2 | RH1 | O3 | 178.1° | 151.5° |
| O2 | RH2 | O9 | O4 | 173.2° | 174.9° |
| O2 | RH2 | O9 | C5 | 80.4° | 49.0° |
| O2 | RH2 | O4 | C7 | 12.9° | 161.3° |
| RH2 | O2 | C1 | H1 | 88.2° | 123.3° |
| O7 | C3 | O8 | H5 | 94.7° | 121.2° |
| O7 | C3 | O8 | RH2 | 6.8° | 3.4° |
| C3 | O7 | RH1 | RH2 | 3.1° | 32.4° |
| C3 | O7 | RH1 | O0 | 43.2° | 109.2° |
| C3 | O7 | RH1 | O3 | 92.1° | 118.0° |
| O7 | C3 | C4 | H6 | 180.0° | 60.0° |
| O7 | C3 | C4 | H7 | 60.0° | 180.0° |
| O7 | C3 | C4 | H8 | 60.0° | 60.0° |
| O8 | C3 | O7 | RH1 | 7.0° | 25.5° |
| C3 | O8 | RH2 | RH1 | 3.0° | 22.2° |
| C3 | O8 | RH2 | O9 | 34.7° | 20.0° |
| C3 | O8 | RH2 | O4 | 89.2° | 70.4° |
| O8 | C3 | C4 | H6 | 7.0° | 74.3° |
| O8 | C3 | C4 | H7 | 127.1° | 45.6° |
| O8 | C3 | C4 | H8 | 113.0° | 165.6° |
| O7 | RH1 | RH2 | O8 | 0.0° | 28.6° |
| O7 | RH1 | RH2 | O0 | 176.2° | 175.5° |
| O7 | RH1 | RH2 | O3 | 92.7° | 89.9° |
| O7 | RH1 | O0 | O3 | 135.3° | 132.6° |
| O7 | RH1 | RH2 | O9 | 177.2° | 150.9° |
| O7 | RH1 | RH2 | O4 | 92.4° | 60.5° |
| O7 | RH1 | O0 | C5 | 41.8° | 163.1° |
| O7 | RH1 | O3 | C7 | 86.3° | 64.7° |
| RH1 | O7 | C3 | H5 | 87.8° | 95.7° |
| O8 | RH2 | RH1 | O9 | 177.1° | 179.5° |
| O8 | RH2 | RH1 | O4 | 92.5° | 89.1° |
| O8 | RH2 | RH1 | O0 | 176.2° | 146.9° |
| O8 | RH2 | RH1 | O3 | 92.8° | 118.5° |
| O8 | RH2 | O9 | O4 | 124.0° | 90.2° |
| O8 | RH2 | O9 | C5 | 31.2° | 45.9° |
| O8 | RH2 | O4 | C7 | 88.2° | 115.2° |
| RH2 | O8 | C3 | H5 | 87.9° | 124.6° |
| RH2 | RH1 | O0 | O3 | 89.1° | 85.9° |
| RH1 | RH2 | O9 | O4 | 86.3° | 92.4° |
| RH2 | RH1 | O0 | C5 | 4.4° | 21.5° |
| RH1 | RH2 | O9 | C5 | 6.5° | 43.7° |
| RH2 | RH1 | O3 | C7 | 0.5° | 27.5° |
| RH1 | RH2 | O4 | C7 | 0.3° | 29.1° |
| O0 | RH1 | RH2 | O9 | 1.0° | 33.6° |
| O0 | RH1 | RH2 | O4 | 91.4° | 124.0° |
| RH1 | O0 | C5 | O9 | 15.5° | 5.4° |
| RH1 | O0 | C5 | C6 | 170.3° | 129.6° |
| O0 | RH1 | O3 | C7 | 90.0° | 120.6° |
| RH1 | O0 | C5 | H9 | 78.4° | 115.8° |
| O3 | RH1 | RH2 | O9 | 90.1° | 61.0° |
| O3 | RH1 | RH2 | O4 | 0.3° | 29.4° |
| O3 | RH1 | O0 | C5 | 93.5° | 64.4° |
| RH1 | O3 | C7 | O4 | 0.4° | 13.5° |
| RH1 | O3 | C7 | C8 | 179.8° | 142.1° |
| RH1 | O3 | C7 | H13 | 89.7° | 106.6° |
| RH2 | O9 | C5 | O0 | 16.5° | 41.9° |
| RH2 | O9 | C5 | C6 | 168.9° | 166.2° |
| O9 | RH2 | O4 | C7 | 87.9° | 53.0° |
| RH2 | O9 | C5 | H9 | 77.3° | 79.3° |
| O4 | RH2 | O9 | C5 | 92.8° | 136.1° |
| RH2 | O4 | C7 | O3 | 0.0° | 16.9° |
| RH2 | O4 | C7 | C8 | 179.8° | 111.5° |
| RH2 | O4 | C7 | H13 | 90.1° | 136.6° |
| O0 | C5 | O9 | C6 | 174.6° | 124.3° |
| O0 | C5 | O9 | H9 | 93.9° | 121.2° |
| O0 | C5 | C6 | H9 | 92.1° | 114.4° |
| O0 | C5 | C6 | H10 | 180.0° | 71.2° |
| O0 | C5 | C6 | H11 | 60.0° | 48.8° |
| O0 | C5 | C6 | H12 | 60.0° | 168.7° |
| O9 | C5 | C6 | H9 | 91.8° | 114.3° |
| O9 | C5 | C6 | H10 | 3.8° | 60.1° |
| O9 | C5 | C6 | H11 | 116.1° | 179.9° |
| O9 | C5 | C6 | H12 | 123.8° | 60.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H12 | 120.0° | 120.0° |
| C5 | C6 | H11 | H12 | 120.0° | 120.0° |
| O3 | C7 | O4 | C8 | 179.8° | 128.4° |
| O3 | C7 | O4 | H13 | 90.1° | 119.7° |
| O3 | C7 | C8 | H13 | 90.1° | 111.5° |
| O3 | C7 | C8 | H14 | 180.0° | 69.2° |
| O3 | C7 | C8 | H15 | 60.0° | 170.8° |
| O3 | C7 | C8 | H16 | 60.0° | 50.8° |
| O4 | C7 | C8 | H13 | 90.1° | 112.5° |
| O4 | C7 | C8 | H14 | 0.1° | 66.8° |
| O4 | C7 | C8 | H15 | 120.2° | 53.2° |
| O4 | C7 | C8 | H16 | 119.9° | 173.1° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H16 | 120.0° | 120.0° |
| C7 | C8 | H15 | H16 | 120.0° | 119.9° |
| H1 | C1 | C2 | H2 | 89.8° | 172.9° |
| H1 | C1 | C2 | H3 | 30.1° | 67.1° |
| H1 | C1 | C2 | H4 | 150.2° | 52.9° |
| H2 | C2 | H3 | H4 | 120.0° | 120.1° |
| H5 | C3 | C4 | H6 | 86.5° | 172.9° |
| H5 | C3 | C4 | H7 | 33.5° | 67.1° |
| H5 | C3 | C4 | H8 | 153.5° | 52.8° |
| H6 | C4 | H7 | H8 | 120.0° | 120.1° |
| H9 | C5 | C6 | H10 | 88.0° | 174.4° |
| H9 | C5 | C6 | H11 | 152.1° | 65.6° |
| H9 | C5 | C6 | H12 | 32.0° | 54.3° |
| H10 | C6 | H11 | H12 | 120.0° | 120.1° |
| H13 | C7 | C8 | H14 | 89.9° | 179.3° |
| H13 | C7 | C8 | H15 | 30.1° | 59.3° |
| H13 | C7 | C8 | H16 | 150.1° | 60.6° |
| H14 | C8 | H15 | H16 | 120.0° | 120.1° |
