VV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | B | sing | 1.37Å | 1.52Å | |
| O4 | B | sing | 1.37Å | 1.50Å | |
| B | C8 | sing | 1.60Å | 1.58Å | |
| B | O3 | sing | 1.37Å | 1.46Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| C | O1 | sing | 1.34Å | 1.30Å | |
| C | C1 | sing | 1.51Å | 1.56Å | |
| C5 | C3 | sing | 1.55Å | 1.56Å | |
| C5 | C1 | sing | 1.54Å | 1.57Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| N | C2 | sing | 1.49Å | 1.50Å | |
| N | C1 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.52Å | |
| C4 | N1 | sing | 1.47Å | 1.51Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 1.01Å | 1.00Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| O3 | H19 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | B | O4 | 108.5° | 109.5° |
| O2 | B | C8 | 110.4° | 109.5° |
| O2 | B | O3 | 105.0° | 109.5° |
| B | O2 | H2 | 109.5° | 114.0° |
| O4 | B | C8 | 110.3° | 109.5° |
| O4 | B | O3 | 104.2° | 109.5° |
| B | O4 | H18 | 109.5° | 114.0° |
| C8 | B | O3 | 117.8° | 109.4° |
| B | C8 | C7 | 110.9° | 109.5° |
| B | C8 | H9 | 109.1° | 109.5° |
| B | C8 | H10 | 109.1° | 109.5° |
| B | O3 | H19 | 109.5° | 114.1° |
| C8 | C7 | C6 | 113.8° | 109.5° |
| C8 | C7 | H7 | 108.4° | 109.4° |
| C8 | C7 | H8 | 108.4° | 109.5° |
| C7 | C8 | H9 | 109.1° | 109.5° |
| C7 | C8 | H10 | 109.1° | 109.5° |
| C7 | C6 | C5 | 120.1° | 109.5° |
| C7 | C6 | H5 | 106.8° | 109.5° |
| C7 | C6 | H6 | 106.7° | 109.4° |
| C6 | C7 | H7 | 108.3° | 109.5° |
| C6 | C7 | H8 | 108.4° | 109.5° |
| C6 | C5 | C3 | 119.6° | 117.6° |
| C6 | C5 | C1 | 117.2° | 115.7° |
| C6 | C5 | C4 | 115.6° | 117.5° |
| C5 | C6 | H5 | 106.7° | 109.5° |
| C5 | C6 | H6 | 106.7° | 109.5° |
| O | C | O1 | 124.3° | 120.0° |
| O | C | C1 | 124.8° | 120.1° |
| O1 | C | C1 | 110.8° | 120.0° |
| C | O1 | H11 | 109.5° | 117.0° |
| C | C1 | C5 | 116.2° | 109.9° |
| C | C1 | N | 110.4° | 109.9° |
| C | C1 | H12 | 107.6° | 109.9° |
| C3 | C5 | C1 | 101.2° | 105.0° |
| C3 | C5 | C4 | 86.3° | 83.6° |
| C5 | C3 | C2 | 107.9° | 103.0° |
| C5 | C3 | N1 | 88.7° | 88.2° |
| C5 | C3 | H13 | 112.8° | 116.6° |
| C1 | C5 | C4 | 112.5° | 112.8° |
| C5 | C1 | N | 106.8° | 107.1° |
| C5 | C1 | H12 | 107.5° | 109.9° |
| C5 | C4 | N1 | 90.1° | 88.6° |
| C5 | C4 | H3 | 114.1° | 113.4° |
| C5 | C4 | H4 | 114.1° | 113.4° |
| C2 | N | C1 | 108.0° | 105.8° |
| N | C2 | C3 | 106.7° | 103.2° |
| N | C2 | H14 | 110.2° | 110.6° |
| N | C2 | H15 | 110.2° | 110.8° |
| C2 | N | H16 | 109.8° | 111.0° |
| N | C1 | H12 | 108.3° | 110.1° |
| C1 | N | H16 | 109.8° | 111.0° |
| C2 | C3 | N1 | 118.4° | 113.7° |
| C2 | C3 | H13 | 113.2° | 115.7° |
| C3 | C2 | H14 | 110.2° | 110.7° |
| C3 | C2 | H15 | 110.2° | 110.7° |
| C3 | N1 | C4 | 88.8° | 88.6° |
| C3 | N1 | H1 | 114.3° | 111.0° |
| N1 | C3 | H13 | 113.3° | 115.9° |
| C4 | N1 | H1 | 114.3° | 111.0° |
| N1 | C4 | H3 | 114.1° | 113.3° |
| N1 | C4 | H4 | 114.1° | 113.3° |
| H3 | C4 | H4 | 109.5° | 112.7° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H14 | C2 | H15 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | B | O4 | C8 | 121.1° | 120.0° |
| O2 | B | O4 | O3 | 111.5° | 120.0° |
| O2 | B | C8 | O3 | 120.6° | 120.0° |
| O2 | B | C8 | C7 | 173.5° | 180.0° |
| O2 | B | C8 | H9 | 53.2° | 60.0° |
| O2 | B | C8 | H10 | 66.4° | 60.0° |
| O2 | B | O4 | H18 | 180.0° | 60.0° |
| O2 | B | O3 | H19 | 180.0° | 60.0° |
| O4 | B | C8 | O3 | 119.5° | 120.0° |
| O4 | B | C8 | C7 | 66.6° | 60.0° |
| O4 | B | C8 | H9 | 173.2° | 180.0° |
| O4 | B | C8 | H10 | 53.6° | 60.1° |
| O4 | B | O3 | H19 | 66.0° | 180.0° |
| O4 | B | O2 | H2 | 180.0° | 60.0° |
| B | C8 | C7 | H9 | 120.2° | 120.0° |
| B | C8 | C7 | H10 | 120.2° | 120.0° |
| B | C8 | C7 | C6 | 178.2° | 180.0° |
| B | C8 | C7 | H7 | 57.6° | 60.0° |
| B | C8 | C7 | H8 | 61.1° | 60.0° |
| B | C8 | H9 | H10 | 119.3° | 120.0° |
| C8 | B | O4 | H18 | 58.9° | 60.0° |
| C8 | B | O3 | H19 | 56.6° | 60.0° |
| C8 | B | O2 | H2 | 59.0° | 180.0° |
| O3 | B | C8 | C7 | 52.8° | 60.0° |
| O3 | B | C8 | H9 | 67.4° | 60.0° |
| O3 | B | C8 | H10 | 173.0° | 179.9° |
| O3 | B | O4 | H18 | 68.5° | 179.9° |
| O3 | B | O2 | H2 | 69.1° | 60.0° |
| C8 | C7 | C6 | H7 | 120.6° | 120.0° |
| C8 | C7 | C6 | H8 | 120.7° | 120.0° |
| C8 | C7 | C6 | C5 | 169.1° | 178.8° |
| C8 | C7 | C6 | H5 | 69.4° | 61.2° |
| C8 | C7 | C6 | H6 | 47.6° | 58.8° |
| C8 | C7 | H7 | H8 | 118.1° | 120.0° |
| C7 | C8 | H9 | H10 | 119.4° | 120.0° |
| C7 | C6 | C5 | H5 | 121.5° | 120.0° |
| C7 | C6 | C5 | H6 | 121.5° | 119.9° |
| C7 | C6 | C5 | C3 | 29.2° | 54.8° |
| C7 | C6 | C5 | C1 | 152.1° | 180.0° |
| C7 | C6 | C5 | C4 | 71.7° | 42.7° |
| C7 | C6 | H5 | H6 | 115.2° | 120.0° |
| C6 | C7 | H7 | H8 | 118.0° | 120.0° |
| C6 | C7 | C8 | H9 | 61.6° | 60.0° |
| C6 | C7 | C8 | H10 | 58.0° | 60.0° |
| C6 | C5 | C1 | C | 22.5° | 11.0° |
| C6 | C5 | C3 | C1 | 130.4° | 130.3° |
| C6 | C5 | C3 | C4 | 117.4° | 117.7° |
| C6 | C5 | C1 | C4 | 137.5° | 139.3° |
| C6 | C5 | C1 | N | 101.0° | 130.3° |
| C6 | C5 | C3 | C2 | 104.8° | 152.4° |
| C6 | C5 | C3 | N1 | 135.7° | 93.6° |
| C6 | C5 | C4 | N1 | 139.7° | 93.7° |
| C6 | C5 | C4 | H3 | 23.2° | 151.3° |
| C6 | C5 | C4 | H4 | 103.7° | 21.2° |
| C5 | C6 | H5 | H6 | 115.2° | 120.0° |
| C5 | C6 | C7 | H7 | 48.5° | 58.8° |
| C5 | C6 | C7 | H8 | 70.2° | 61.3° |
| C6 | C5 | C1 | H12 | 143.0° | 110.1° |
| C6 | C5 | C3 | H13 | 20.9° | 24.7° |
| O | C | O1 | C1 | 178.5° | 180.0° |
| O | C | C1 | C5 | 112.5° | 93.3° |
| O | C | C1 | N | 9.2° | 24.3° |
| O | C | O1 | H11 | 0.0° | 0.1° |
| O | C | C1 | H12 | 127.1° | 145.6° |
| O1 | C | C1 | C5 | 69.0° | 86.7° |
| O1 | C | C1 | N | 169.3° | 155.7° |
| O1 | C | C1 | H12 | 51.4° | 34.4° |
| C | C1 | C5 | C3 | 154.4° | 120.4° |
| C | C1 | C5 | N | 123.6° | 119.3° |
| C | C1 | C5 | H12 | 120.5° | 121.1° |
| C | C1 | C5 | C4 | 115.0° | 150.3° |
| C | C1 | N | C2 | 152.5° | 144.5° |
| C | C1 | N | H12 | 117.5° | 121.2° |
| C1 | C | O1 | H11 | 178.5° | 179.9° |
| C | C1 | N | H16 | 32.7° | 24.0° |
| C3 | C5 | C1 | C4 | 90.6° | 89.3° |
| C5 | C3 | C2 | N | 11.4° | 37.5° |
| C3 | C5 | C1 | N | 30.9° | 1.1° |
| C5 | C3 | C2 | N1 | 98.4° | 93.8° |
| C5 | C3 | C2 | H13 | 125.5° | 128.3° |
| C5 | C3 | N1 | H13 | 114.3° | 118.9° |
| C3 | C5 | C4 | N1 | 18.5° | 24.1° |
| C5 | C3 | N1 | H1 | 97.6° | 137.1° |
| C3 | C5 | C4 | H3 | 98.0° | 90.8° |
| C3 | C5 | C4 | H4 | 135.1° | 139.0° |
| C3 | C5 | C6 | H5 | 150.7° | 65.2° |
| C3 | C5 | C6 | H6 | 92.3° | 174.8° |
| C3 | C5 | C1 | H12 | 85.1° | 118.5° |
| C5 | C3 | C2 | H14 | 131.0° | 156.0° |
| C5 | C3 | C2 | H15 | 108.2° | 81.0° |
| C5 | C1 | N | C2 | 25.4° | 25.2° |
| C5 | C1 | N | H12 | 115.4° | 119.5° |
| C1 | C5 | C3 | C2 | 25.6° | 22.1° |
| C1 | C5 | C3 | N1 | 93.9° | 136.1° |
| C1 | C5 | C4 | N1 | 82.1° | 127.7° |
| C1 | C5 | C4 | H3 | 161.4° | 12.8° |
| C1 | C5 | C4 | H4 | 34.5° | 117.4° |
| C1 | C5 | C6 | H5 | 86.4° | 59.9° |
| C1 | C5 | C6 | H6 | 30.6° | 60.1° |
| C1 | C5 | C3 | H13 | 151.3° | 105.6° |
| C5 | C1 | N | H16 | 94.3° | 95.3° |
| C4 | C5 | C1 | N | 121.5° | 90.4° |
| C4 | C5 | C3 | C2 | 137.8° | 89.8° |
| C5 | C4 | N1 | H3 | 116.6° | 115.0° |
| C5 | C4 | N1 | H4 | 116.6° | 115.0° |
| C5 | C4 | N1 | H1 | 97.4° | 137.4° |
| C5 | C4 | H3 | H4 | 129.2° | 130.5° |
| C4 | C5 | C6 | H5 | 49.8° | 162.7° |
| C4 | C5 | C6 | H6 | 166.8° | 77.3° |
| C4 | C5 | C1 | H12 | 5.5° | 29.2° |
| C4 | C5 | C3 | H13 | 96.5° | 142.4° |
| C2 | N | C1 | H16 | 119.8° | 120.5° |
| N | C2 | C3 | H14 | 119.6° | 118.4° |
| N | C2 | C3 | H15 | 119.6° | 118.6° |
| N | C2 | C3 | N1 | 87.0° | 131.4° |
| C2 | N | C1 | H12 | 90.0° | 94.3° |
| N | C2 | C3 | H13 | 136.9° | 90.8° |
| N | C2 | H14 | H15 | 121.3° | 123.1° |
| C1 | N | C2 | C3 | 8.7° | 39.3° |
| C1 | N | C2 | H14 | 110.9° | 157.7° |
| C1 | N | C2 | H15 | 128.2° | 79.3° |
| C2 | C3 | N1 | H13 | 136.1° | 137.7° |
| C2 | C3 | N1 | C4 | 128.3° | 78.3° |
| C2 | C3 | N1 | H1 | 12.0° | 33.7° |
| C3 | C2 | H14 | H15 | 121.3° | 123.1° |
| C3 | C2 | N | H16 | 111.1° | 81.3° |
| C3 | N1 | C4 | H1 | 116.3° | 112.0° |
| C3 | N1 | C4 | H3 | 97.6° | 89.7° |
| C3 | N1 | C4 | H4 | 135.5° | 140.3° |
| N1 | C3 | C2 | H14 | 32.6° | 110.2° |
| N1 | C3 | C2 | H15 | 153.5° | 12.8° |
| N1 | C4 | H3 | H4 | 129.2° | 130.4° |
| C4 | N1 | C3 | H13 | 95.6° | 144.0° |
| H1 | N1 | C4 | H3 | 146.1° | 22.4° |
| H1 | N1 | C4 | H4 | 19.2° | 107.7° |
| H1 | N1 | C3 | H13 | 148.1° | 104.0° |
| H5 | C6 | C7 | H7 | 170.0° | 178.8° |
| H5 | C6 | C7 | H8 | 51.3° | 58.8° |
| H6 | C6 | C7 | H7 | 73.0° | 61.2° |
| H6 | C6 | C7 | H8 | 168.3° | 178.8° |
| H7 | C7 | C8 | H9 | 177.8° | 180.0° |
| H7 | C7 | C8 | H10 | 62.6° | 60.0° |
| H8 | C7 | C8 | H9 | 59.1° | 60.0° |
| H8 | C7 | C8 | H10 | 178.7° | 179.9° |
| H12 | C1 | N | H16 | 150.2° | 145.2° |
| H13 | C3 | C2 | H14 | 103.6° | 27.6° |
| H13 | C3 | C2 | H15 | 17.3° | 150.6° |
| H14 | C2 | N | H16 | 129.3° | 37.2° |
| H15 | C2 | N | H16 | 8.4° | 160.2° |
