VUY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | B | sing | 1.37Å | 1.48Å | |
| O3 | B | sing | 1.37Å | 1.45Å | |
| B | O4 | sing | 1.37Å | 1.47Å | |
| B | C8 | sing | 1.60Å | 1.56Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| O1 | C | doub | 1.21Å | 1.31Å | |
| C | O | sing | 1.34Å | 1.22Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C5 | C3 | sing | 1.57Å | 1.56Å | |
| C5 | C1 | sing | 1.54Å | 1.56Å | |
| C5 | C4 | sing | 1.56Å | 1.54Å | |
| N | C2 | sing | 1.49Å | 1.50Å | |
| N | C1 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C3 | S | sing | 1.83Å | 1.84Å | |
| C4 | S | sing | 1.83Å | 1.84Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 1.01Å | 1.00Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | B | O3 | 104.6° | 109.4° |
| O2 | B | O4 | 105.4° | 109.5° |
| O2 | B | C8 | 112.7° | 109.5° |
| B | O2 | H15 | 109.5° | 114.0° |
| O3 | B | O4 | 102.1° | 109.5° |
| O3 | B | C8 | 113.0° | 109.5° |
| B | O3 | H17 | 109.5° | 114.0° |
| O4 | B | C8 | 117.8° | 109.5° |
| B | O4 | H16 | 109.5° | 113.9° |
| B | C8 | C7 | 115.6° | 109.5° |
| B | C8 | H7 | 107.9° | 109.4° |
| B | C8 | H8 | 107.9° | 109.5° |
| C8 | C7 | C6 | 114.8° | 109.5° |
| C8 | C7 | H5 | 108.1° | 109.5° |
| C8 | C7 | H6 | 108.1° | 109.5° |
| C7 | C8 | H7 | 107.9° | 109.5° |
| C7 | C8 | H8 | 107.9° | 109.5° |
| C7 | C6 | C5 | 119.0° | 109.5° |
| C7 | C6 | H3 | 107.0° | 109.5° |
| C7 | C6 | H4 | 107.0° | 109.5° |
| C6 | C7 | H5 | 108.1° | 109.4° |
| C6 | C7 | H6 | 108.1° | 109.5° |
| C6 | C5 | C3 | 115.9° | 113.2° |
| C6 | C5 | C1 | 115.1° | 112.4° |
| C6 | C5 | C4 | 119.4° | 112.6° |
| C5 | C6 | H3 | 107.0° | 109.4° |
| C5 | C6 | H4 | 107.0° | 109.4° |
| O1 | C | O | 125.1° | 120.1° |
| O1 | C | C1 | 114.4° | 120.0° |
| O | C | C1 | 120.5° | 120.0° |
| C | O | H9 | 109.5° | 117.0° |
| C | C1 | C5 | 114.6° | 109.9° |
| C | C1 | N | 111.2° | 109.9° |
| C | C1 | H10 | 108.4° | 109.8° |
| C3 | C5 | C1 | 100.0° | 104.2° |
| C3 | C5 | C4 | 97.5° | 102.7° |
| C5 | C3 | C2 | 109.1° | 102.1° |
| C5 | C3 | S | 90.2° | 83.0° |
| C5 | C3 | H11 | 114.2° | 118.5° |
| C1 | C5 | C4 | 106.0° | 111.0° |
| C5 | C1 | N | 105.9° | 107.5° |
| C5 | C1 | H10 | 107.9° | 109.8° |
| C5 | C4 | S | 91.0° | 83.2° |
| C5 | C4 | H1 | 113.9° | 114.2° |
| C5 | C4 | H2 | 113.9° | 114.4° |
| C2 | N | C1 | 107.7° | 105.9° |
| N | C2 | C3 | 105.1° | 103.0° |
| N | C2 | H12 | 110.6° | 110.7° |
| N | C2 | H13 | 110.5° | 110.9° |
| C2 | N | H14 | 109.9° | 111.0° |
| N | C1 | H10 | 108.7° | 109.9° |
| C1 | N | H14 | 109.9° | 111.0° |
| C2 | C3 | S | 116.0° | 113.5° |
| C2 | C3 | H11 | 114.7° | 116.8° |
| C3 | C2 | H12 | 110.5° | 110.7° |
| C3 | C2 | H13 | 110.5° | 110.7° |
| C3 | S | C4 | 78.3° | 84.0° |
| S | C3 | H11 | 110.3° | 117.4° |
| S | C4 | H1 | 113.9° | 114.3° |
| S | C4 | H2 | 113.9° | 114.2° |
| H1 | C4 | H2 | 109.5° | 113.3° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | B | O3 | O4 | 109.6° | 120.0° |
| O2 | B | O3 | C8 | 122.9° | 120.0° |
| O2 | B | O4 | C8 | 126.6° | 120.0° |
| O2 | B | C8 | C7 | 176.9° | 60.0° |
| O2 | B | C8 | H7 | 56.0° | 180.0° |
| O2 | B | C8 | H8 | 62.2° | 60.0° |
| O2 | B | O4 | H16 | 180.0° | 60.1° |
| O2 | B | O3 | H17 | 180.0° | 60.0° |
| O3 | B | O4 | C8 | 124.3° | 120.0° |
| O3 | B | C8 | C7 | 64.8° | 180.0° |
| O3 | B | C8 | H7 | 174.3° | 60.0° |
| O3 | B | C8 | H8 | 56.1° | 60.0° |
| O3 | B | O4 | H16 | 70.9° | 180.0° |
| O3 | B | O2 | H15 | 180.0° | 60.1° |
| O4 | B | C8 | C7 | 53.9° | 60.0° |
| O4 | B | C8 | H7 | 67.0° | 60.0° |
| O4 | B | C8 | H8 | 174.8° | 180.0° |
| O4 | B | O3 | H17 | 70.4° | 180.0° |
| O4 | B | O2 | H15 | 72.8° | 59.9° |
| B | C8 | C7 | H7 | 120.9° | 120.0° |
| B | C8 | C7 | H8 | 120.9° | 120.0° |
| B | C8 | C7 | C6 | 176.8° | 180.0° |
| B | C8 | C7 | H5 | 56.0° | 60.0° |
| B | C8 | C7 | H6 | 62.4° | 60.0° |
| B | C8 | H7 | H8 | 117.2° | 120.0° |
| C8 | B | O4 | H16 | 53.4° | 60.0° |
| C8 | B | O3 | H17 | 57.1° | 60.0° |
| C8 | B | O2 | H15 | 56.9° | 179.9° |
| C8 | C7 | C6 | H5 | 120.8° | 120.0° |
| C8 | C7 | C6 | H6 | 120.8° | 120.1° |
| C8 | C7 | C6 | C5 | 175.5° | 179.1° |
| C8 | C7 | C6 | H3 | 63.2° | 61.0° |
| C8 | C7 | C6 | H4 | 54.2° | 59.1° |
| C8 | C7 | H5 | H6 | 117.6° | 120.0° |
| C7 | C8 | H7 | H8 | 117.2° | 120.0° |
| C7 | C6 | C5 | H3 | 121.3° | 120.0° |
| C7 | C6 | C5 | H4 | 121.3° | 120.0° |
| C7 | C6 | C5 | C3 | 47.0° | 59.9° |
| C7 | C6 | C5 | C1 | 163.1° | 177.7° |
| C7 | C6 | C5 | C4 | 69.1° | 56.1° |
| C7 | C6 | H3 | H4 | 115.7° | 120.1° |
| C6 | C7 | H5 | H6 | 117.5° | 120.0° |
| C6 | C7 | C8 | H7 | 62.3° | 60.1° |
| C6 | C7 | C8 | H8 | 55.9° | 60.0° |
| C6 | C5 | C1 | C | 32.1° | 4.9° |
| C6 | C5 | C3 | C1 | 124.3° | 122.4° |
| C6 | C5 | C3 | C4 | 127.9° | 121.8° |
| C6 | C5 | C1 | C4 | 134.3° | 127.1° |
| C6 | C5 | C1 | N | 90.9° | 124.4° |
| C6 | C5 | C3 | C2 | 100.1° | 147.4° |
| C6 | C5 | C3 | S | 142.2° | 99.9° |
| C6 | C5 | C4 | S | 139.7° | 100.4° |
| C6 | C5 | C4 | H1 | 23.0° | 13.2° |
| C6 | C5 | C4 | H2 | 103.5° | 146.1° |
| C5 | C6 | H3 | H4 | 115.7° | 119.9° |
| C5 | C6 | C7 | H5 | 54.7° | 59.1° |
| C5 | C6 | C7 | H6 | 63.7° | 60.8° |
| C6 | C5 | C1 | H10 | 152.9° | 116.0° |
| C6 | C5 | C3 | H11 | 29.8° | 17.5° |
| O1 | C | O | C1 | 178.6° | 180.0° |
| O1 | C | C1 | C5 | 117.0° | 92.7° |
| O1 | C | C1 | N | 3.1° | 25.3° |
| O1 | C | O | H9 | 0.0° | 0.1° |
| O1 | C | C1 | H10 | 122.5° | 146.3° |
| O | C | C1 | C5 | 61.7° | 87.2° |
| O | C | C1 | N | 178.2° | 154.7° |
| O | C | C1 | H10 | 58.8° | 33.7° |
| C | C1 | C5 | C3 | 157.0° | 118.0° |
| C | C1 | C5 | N | 122.9° | 119.5° |
| C | C1 | C5 | H10 | 120.9° | 120.9° |
| C | C1 | C5 | C4 | 102.2° | 132.1° |
| C | C1 | N | C2 | 157.8° | 143.6° |
| C | C1 | N | H10 | 119.3° | 121.0° |
| C1 | C | O | H9 | 178.5° | 180.0° |
| C | C1 | N | H14 | 38.1° | 23.0° |
| C3 | C5 | C1 | C4 | 100.8° | 109.9° |
| C5 | C3 | C2 | N | 5.9° | 39.9° |
| C3 | C5 | C1 | N | 34.0° | 1.5° |
| C5 | C3 | C2 | S | 100.0° | 87.6° |
| C5 | C3 | C2 | H11 | 129.5° | 131.0° |
| C5 | C3 | S | H11 | 115.9° | 118.6° |
| C3 | C5 | C4 | S | 14.3° | 21.8° |
| C3 | C5 | C4 | H1 | 102.5° | 135.4° |
| C3 | C5 | C4 | H2 | 131.0° | 91.7° |
| C3 | C5 | C6 | H3 | 168.3° | 60.1° |
| C3 | C5 | C6 | H4 | 74.4° | 180.0° |
| C3 | C5 | C1 | H10 | 82.2° | 121.0° |
| C5 | C3 | C2 | H12 | 125.2° | 158.2° |
| C5 | C3 | C2 | H13 | 113.4° | 78.8° |
| C5 | C1 | N | C2 | 32.7° | 24.1° |
| C5 | C1 | N | H10 | 115.6° | 119.5° |
| C1 | C5 | C3 | C2 | 24.3° | 25.0° |
| C1 | C5 | C3 | S | 93.5° | 137.6° |
| C1 | C5 | C4 | S | 88.4° | 132.6° |
| C1 | C5 | C4 | H1 | 154.8° | 113.8° |
| C1 | C5 | C4 | H2 | 28.3° | 19.1° |
| C1 | C5 | C6 | H3 | 75.5° | 57.7° |
| C1 | C5 | C6 | H4 | 41.8° | 62.3° |
| C1 | C5 | C3 | H11 | 154.1° | 104.9° |
| C5 | C1 | N | H14 | 87.0° | 96.5° |
| C4 | C5 | C1 | N | 134.8° | 108.4° |
| C4 | C5 | C3 | C2 | 132.0° | 90.8° |
| C5 | C4 | S | H1 | 116.8° | 113.5° |
| C5 | C4 | S | H2 | 116.8° | 113.8° |
| C5 | C4 | H1 | H2 | 128.8° | 133.4° |
| C4 | C5 | C6 | H3 | 52.2° | 176.1° |
| C4 | C5 | C6 | H4 | 169.5° | 63.9° |
| C4 | C5 | C1 | H10 | 18.7° | 11.1° |
| C4 | C5 | C3 | H11 | 98.1° | 139.2° |
| C2 | N | C1 | H14 | 119.7° | 120.6° |
| N | C2 | C3 | H12 | 119.3° | 118.4° |
| N | C2 | C3 | H13 | 119.3° | 118.6° |
| N | C2 | C3 | S | 94.1° | 127.4° |
| C2 | N | C1 | H10 | 82.9° | 95.4° |
| N | C2 | C3 | H11 | 135.4° | 91.1° |
| N | C2 | H12 | H13 | 122.0° | 123.3° |
| C1 | N | C2 | C3 | 16.4° | 40.2° |
| C1 | N | C2 | H12 | 102.9° | 158.6° |
| C1 | N | C2 | H13 | 135.7° | 78.3° |
| C2 | C3 | S | H11 | 132.6° | 141.2° |
| C2 | C3 | S | C4 | 123.5° | 82.1° |
| C3 | C2 | H12 | H13 | 122.0° | 123.1° |
| C3 | C2 | N | H14 | 103.3° | 80.3° |
| C3 | S | C4 | H1 | 104.5° | 131.8° |
| C3 | S | C4 | H2 | 129.0° | 95.5° |
| S | C3 | C2 | H12 | 25.3° | 114.2° |
| S | C3 | C2 | H13 | 146.6° | 8.8° |
| S | C4 | H1 | H2 | 128.7° | 133.1° |
| C4 | S | C3 | H11 | 103.9° | 136.7° |
| H3 | C6 | C7 | H5 | 176.1° | 179.0° |
| H3 | C6 | C7 | H6 | 57.6° | 59.1° |
| H4 | C6 | C7 | H5 | 66.6° | 60.9° |
| H4 | C6 | C7 | H6 | 175.0° | 179.2° |
| H5 | C7 | C8 | H7 | 176.9° | 180.0° |
| H5 | C7 | C8 | H8 | 64.9° | 60.0° |
| H6 | C7 | C8 | H7 | 58.5° | 60.0° |
| H6 | C7 | C8 | H8 | 176.7° | 180.0° |
| H10 | C1 | N | H14 | 157.4° | 144.0° |
| H11 | C3 | C2 | H12 | 105.2° | 27.2° |
| H11 | C3 | C2 | H13 | 16.1° | 150.2° |
| H12 | C2 | N | H14 | 137.4° | 38.0° |
| H13 | C2 | N | H14 | 16.0° | 161.1° |
