VV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | B | sing | 1.37Å | 1.46Å | |
| O3 | B | sing | 1.37Å | 1.48Å | |
| B | C9 | sing | 1.60Å | 1.57Å | |
| B | O2 | sing | 1.37Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| O1 | C | doub | 1.21Å | 1.30Å | |
| C | O | sing | 1.34Å | 1.22Å | |
| C | C1 | sing | 1.51Å | 1.55Å | |
| C4 | N1 | sing | 1.49Å | 1.51Å | |
| C4 | C5 | sing | 1.55Å | 1.58Å | |
| N1 | C1 | sing | 1.48Å | 1.55Å | |
| C6 | C1 | sing | 1.55Å | 1.61Å | |
| C6 | C5 | sing | 1.55Å | 1.54Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C5 | N | sing | 1.48Å | 1.51Å | |
| N | C3 | sing | 1.47Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| O | H12 | sing | 0.97Å | 0.95Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| N1 | H17 | sing | 1.01Å | 1.00Å | |
| N | H19 | sing | 1.01Å | 1.00Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | B | O3 | 104.6° | 109.5° |
| O4 | B | C9 | 112.8° | 109.5° |
| O4 | B | O2 | 104.8° | 109.4° |
| B | O4 | H5 | 109.5° | 114.0° |
| O3 | B | C9 | 112.8° | 109.5° |
| O3 | B | O2 | 107.3° | 109.5° |
| B | O3 | H21 | 109.5° | 114.0° |
| C9 | B | O2 | 113.8° | 109.5° |
| B | C9 | C8 | 111.3° | 109.4° |
| B | C9 | H10 | 109.0° | 109.5° |
| B | C9 | H11 | 109.0° | 109.4° |
| B | O2 | H22 | 109.5° | 114.0° |
| C9 | C8 | C7 | 112.7° | 109.5° |
| C9 | C8 | H8 | 108.6° | 109.5° |
| C9 | C8 | H9 | 108.6° | 109.5° |
| C8 | C9 | H10 | 109.0° | 109.5° |
| C8 | C9 | H11 | 109.0° | 109.5° |
| C8 | C7 | C6 | 119.9° | 109.5° |
| C8 | C7 | H6 | 106.8° | 109.5° |
| C8 | C7 | H7 | 106.8° | 109.5° |
| C7 | C8 | H8 | 108.7° | 109.4° |
| C7 | C8 | H9 | 108.7° | 109.4° |
| C7 | C6 | C1 | 118.4° | 111.3° |
| C7 | C6 | C5 | 116.3° | 111.2° |
| C6 | C7 | H6 | 106.8° | 109.5° |
| C6 | C7 | H7 | 106.8° | 109.5° |
| C7 | C6 | H13 | 109.3° | 111.1° |
| O1 | C | O | 123.0° | 120.0° |
| O1 | C | C1 | 112.8° | 120.0° |
| O | C | C1 | 124.1° | 120.0° |
| C | O | H12 | 109.5° | 117.0° |
| C | C1 | N1 | 113.3° | 112.8° |
| C | C1 | C6 | 110.8° | 112.8° |
| C | C1 | C2 | 108.1° | 112.7° |
| N1 | C4 | C5 | 100.0° | 107.1° |
| C4 | N1 | C1 | 109.5° | 107.0° |
| N1 | C4 | H15 | 111.8° | 110.0° |
| N1 | C4 | H16 | 111.8° | 110.0° |
| C4 | N1 | H17 | 109.5° | 111.0° |
| C4 | C5 | C6 | 105.6° | 102.4° |
| C4 | C5 | N | 114.9° | 107.3° |
| C4 | C5 | H14 | 108.1° | 113.8° |
| C5 | C4 | H15 | 111.8° | 110.0° |
| C5 | C4 | H16 | 111.8° | 109.7° |
| N1 | C1 | C6 | 100.3° | 104.7° |
| N1 | C1 | C2 | 111.8° | 107.0° |
| C1 | N1 | H17 | 109.4° | 111.4° |
| C1 | C6 | C5 | 94.0° | 100.2° |
| C6 | C1 | C2 | 112.6° | 106.2° |
| C1 | C6 | H13 | 108.5° | 111.3° |
| C6 | C5 | N | 110.5° | 106.4° |
| C5 | C6 | H13 | 109.3° | 111.3° |
| C6 | C5 | H14 | 108.5° | 113.2° |
| C1 | C2 | C3 | 113.6° | 108.7° |
| C1 | C2 | H1 | 108.4° | 109.6° |
| C1 | C2 | H2 | 108.4° | 109.6° |
| C5 | N | C3 | 115.4° | 110.7° |
| N | C5 | H14 | 109.0° | 113.0° |
| C5 | N | H19 | 108.0° | 111.0° |
| N | C3 | C2 | 110.6° | 110.5° |
| N | C3 | H3 | 109.2° | 109.3° |
| N | C3 | H4 | 109.2° | 109.2° |
| C3 | N | H19 | 108.0° | 111.0° |
| C3 | C2 | H1 | 108.4° | 109.6° |
| C3 | C2 | H2 | 108.4° | 109.6° |
| C2 | C3 | H3 | 109.2° | 109.3° |
| C2 | C3 | H4 | 109.2° | 109.3° |
| H1 | C2 | H2 | 109.5° | 109.7° |
| H3 | C3 | H4 | 109.5° | 109.3° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.4° | 109.5° |
| H15 | C4 | H16 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | B | O3 | C9 | 122.9° | 120.0° |
| O4 | B | O3 | O2 | 110.9° | 119.9° |
| O4 | B | C9 | O2 | 119.2° | 119.9° |
| O4 | B | C9 | C8 | 166.7° | 60.0° |
| O4 | B | C9 | H10 | 46.4° | 60.0° |
| O4 | B | C9 | H11 | 73.0° | 179.9° |
| O4 | B | O3 | H21 | 180.0° | 60.1° |
| O4 | B | O2 | H22 | 180.0° | 60.0° |
| O3 | B | C9 | O2 | 122.6° | 120.1° |
| O3 | B | C9 | C8 | 75.1° | 60.0° |
| O3 | B | O4 | H5 | 180.0° | 60.0° |
| O3 | B | C9 | H10 | 164.6° | 180.0° |
| O3 | B | C9 | H11 | 45.2° | 60.1° |
| O3 | B | O2 | H22 | 69.2° | 179.9° |
| B | C9 | C8 | H10 | 120.3° | 120.0° |
| B | C9 | C8 | H11 | 120.3° | 120.0° |
| B | C9 | C8 | C7 | 158.3° | 180.0° |
| C9 | B | O4 | H5 | 57.1° | 180.0° |
| B | C9 | C8 | H8 | 37.9° | 60.0° |
| B | C9 | C8 | H9 | 81.2° | 60.1° |
| B | C9 | H10 | H11 | 119.1° | 120.0° |
| C9 | B | O3 | H21 | 57.1° | 59.9° |
| C9 | B | O2 | H22 | 56.4° | 60.0° |
| O2 | B | C9 | C8 | 47.5° | 180.0° |
| O2 | B | O4 | H5 | 67.2° | 60.0° |
| O2 | B | C9 | H10 | 72.7° | 60.0° |
| O2 | B | C9 | H11 | 167.8° | 60.0° |
| O2 | B | O3 | H21 | 69.1° | 180.0° |
| C9 | C8 | C7 | H8 | 120.5° | 120.0° |
| C9 | C8 | C7 | H9 | 120.4° | 120.0° |
| C9 | C8 | C7 | C6 | 168.6° | 180.0° |
| C9 | C8 | C7 | H6 | 47.1° | 60.0° |
| C9 | C8 | C7 | H7 | 69.9° | 59.9° |
| C9 | C8 | H8 | H9 | 118.5° | 120.1° |
| C8 | C9 | H10 | H11 | 119.2° | 120.1° |
| C8 | C7 | C6 | H6 | 121.5° | 120.0° |
| C8 | C7 | C6 | H7 | 121.5° | 120.1° |
| C8 | C7 | C6 | C1 | 179.4° | 175.0° |
| C8 | C7 | C6 | C5 | 69.7° | 74.2° |
| C8 | C7 | H6 | H7 | 115.3° | 120.0° |
| C7 | C8 | H8 | H9 | 118.6° | 119.9° |
| C7 | C8 | C9 | H10 | 81.4° | 60.0° |
| C7 | C8 | C9 | H11 | 38.1° | 60.0° |
| C8 | C7 | C6 | H13 | 54.6° | 50.4° |
| C7 | C6 | C1 | C | 46.5° | 47.1° |
| C7 | C6 | C5 | C4 | 71.8° | 78.3° |
| C7 | C6 | C1 | N1 | 73.5° | 76.0° |
| C7 | C6 | C1 | C5 | 122.9° | 117.7° |
| C7 | C6 | C1 | H13 | 125.3° | 124.5° |
| C7 | C6 | C5 | H13 | 124.3° | 124.5° |
| C7 | C6 | C1 | C2 | 167.6° | 170.9° |
| C7 | C6 | C5 | N | 163.4° | 169.2° |
| C6 | C7 | H6 | H7 | 115.3° | 120.0° |
| C6 | C7 | C8 | H8 | 70.9° | 59.9° |
| C6 | C7 | C8 | H9 | 48.2° | 60.0° |
| C7 | C6 | C5 | H14 | 43.9° | 44.6° |
| O1 | C | O | C1 | 179.9° | 179.9° |
| O1 | C | C1 | N1 | 16.2° | 142.9° |
| O1 | C | C1 | C6 | 128.0° | 24.5° |
| O1 | C | C1 | C2 | 108.2° | 95.7° |
| O1 | C | O | H12 | 0.0° | 0.0° |
| O | C | C1 | N1 | 163.9° | 37.0° |
| O | C | C1 | C6 | 52.1° | 155.4° |
| O | C | C1 | C2 | 71.7° | 84.4° |
| C | C1 | N1 | C4 | 150.0° | 150.4° |
| C | C1 | N1 | C6 | 118.1° | 123.1° |
| C | C1 | N1 | C2 | 122.4° | 124.5° |
| C | C1 | C6 | C2 | 121.2° | 123.9° |
| C | C1 | C6 | C5 | 169.4° | 164.8° |
| C | C1 | C2 | C3 | 179.7° | 172.3° |
| C | C1 | C2 | H1 | 59.1° | 68.0° |
| C | C1 | C2 | H2 | 59.6° | 52.5° |
| C1 | C | O | H12 | 179.8° | 179.9° |
| C | C1 | C6 | H13 | 78.8° | 77.5° |
| C | C1 | N1 | H17 | 30.0° | 28.9° |
| N1 | C4 | C5 | H15 | 118.4° | 119.6° |
| N1 | C4 | C5 | H16 | 118.5° | 119.4° |
| C4 | N1 | C1 | H17 | 120.0° | 121.5° |
| C4 | N1 | C1 | C6 | 31.8° | 27.4° |
| N1 | C4 | C5 | C6 | 34.8° | 24.4° |
| C4 | N1 | C1 | C2 | 87.6° | 85.1° |
| N1 | C4 | C5 | N | 87.3° | 87.4° |
| N1 | C4 | C5 | H14 | 150.8° | 146.9° |
| N1 | C4 | H15 | H16 | 124.4° | 121.3° |
| C5 | C4 | N1 | C1 | 0.4° | 1.7° |
| C4 | C5 | C6 | C1 | 52.7° | 39.4° |
| C4 | C5 | C6 | N | 124.8° | 112.4° |
| C4 | C5 | C6 | H14 | 115.7° | 123.0° |
| C4 | C5 | N | H14 | 121.5° | 126.2° |
| C4 | C5 | N | C3 | 53.8° | 41.4° |
| C4 | C5 | C6 | H13 | 163.9° | 157.2° |
| C5 | C4 | H15 | H16 | 124.4° | 121.0° |
| C5 | C4 | N1 | H17 | 120.4° | 120.1° |
| C4 | C5 | N | H19 | 67.1° | 82.3° |
| N1 | C1 | C6 | C2 | 118.9° | 113.1° |
| N1 | C1 | C6 | C5 | 49.4° | 41.7° |
| N1 | C1 | C2 | C3 | 54.9° | 47.7° |
| N1 | C1 | C2 | H1 | 175.5° | 167.4° |
| N1 | C1 | C2 | H2 | 65.7° | 72.1° |
| N1 | C1 | C6 | H13 | 161.3° | 159.5° |
| C1 | N1 | C4 | H15 | 118.8° | 121.2° |
| C1 | N1 | C4 | H16 | 118.1° | 117.5° |
| C1 | C6 | C5 | H13 | 111.2° | 117.8° |
| C1 | C6 | C5 | N | 72.1° | 73.0° |
| C6 | C1 | C2 | C3 | 57.0° | 63.8° |
| C6 | C1 | C2 | H1 | 63.6° | 56.0° |
| C6 | C1 | C2 | H2 | 177.7° | 176.4° |
| C1 | C6 | C7 | H6 | 58.0° | 55.0° |
| C1 | C6 | C7 | H7 | 59.1° | 64.9° |
| C1 | C6 | C5 | H14 | 168.4° | 162.4° |
| C6 | C1 | N1 | H17 | 88.2° | 94.1° |
| C5 | C6 | C1 | C2 | 69.5° | 71.4° |
| C6 | C5 | N | H14 | 119.2° | 124.7° |
| C6 | C5 | N | C3 | 65.5° | 67.6° |
| C5 | C6 | C7 | H6 | 168.8° | 165.8° |
| C5 | C6 | C7 | H7 | 51.7° | 45.9° |
| C6 | C5 | C4 | H15 | 153.2° | 95.2° |
| C6 | C5 | C4 | H16 | 83.7° | 143.7° |
| C6 | C5 | N | H19 | 173.6° | 168.6° |
| C1 | C2 | C3 | N | 37.0° | 54.3° |
| C1 | C2 | C3 | H1 | 120.6° | 119.7° |
| C1 | C2 | C3 | H2 | 120.6° | 119.8° |
| C1 | C2 | H1 | H2 | 118.1° | 120.4° |
| C1 | C2 | C3 | H3 | 83.2° | 174.6° |
| C1 | C2 | C3 | H4 | 157.2° | 65.9° |
| C2 | C1 | C6 | H13 | 42.4° | 46.4° |
| C2 | C1 | N1 | H17 | 152.3° | 153.4° |
| C5 | N | C3 | H19 | 120.8° | 123.7° |
| C5 | N | C3 | C2 | 41.1° | 56.7° |
| C5 | N | C3 | H3 | 79.1° | 177.0° |
| C5 | N | C3 | H4 | 161.2° | 63.6° |
| N | C5 | C6 | H13 | 39.1° | 44.8° |
| N | C5 | C4 | H15 | 31.2° | 153.0° |
| N | C5 | C4 | H16 | 154.3° | 32.0° |
| N | C3 | C2 | H3 | 120.2° | 120.3° |
| N | C3 | C2 | H4 | 120.2° | 120.2° |
| N | C3 | C2 | H1 | 83.6° | 65.4° |
| N | C3 | C2 | H2 | 157.6° | 174.0° |
| N | C3 | H3 | H4 | 119.5° | 119.4° |
| C3 | N | C5 | H14 | 175.3° | 167.6° |
| C3 | C2 | H1 | H2 | 118.1° | 120.4° |
| C2 | C3 | H3 | H4 | 119.5° | 119.5° |
| C2 | C3 | N | H19 | 161.9° | 179.6° |
| H1 | C2 | C3 | H3 | 156.2° | 54.9° |
| H1 | C2 | C3 | H4 | 36.6° | 174.4° |
| H2 | C2 | C3 | H3 | 37.5° | 65.6° |
| H2 | C2 | C3 | H4 | 82.2° | 53.9° |
| H3 | C3 | N | H19 | 41.7° | 59.3° |
| H4 | C3 | N | H19 | 77.9° | 60.2° |
| H6 | C7 | C8 | H8 | 167.6° | 60.1° |
| H6 | C7 | C8 | H9 | 73.3° | 180.0° |
| H6 | C7 | C6 | H13 | 66.9° | 69.6° |
| H7 | C7 | C8 | H8 | 50.5° | 180.0° |
| H7 | C7 | C8 | H9 | 169.6° | 60.1° |
| H7 | C7 | C6 | H13 | 176.0° | 170.4° |
| H8 | C8 | C9 | H10 | 158.1° | 180.0° |
| H8 | C8 | C9 | H11 | 82.4° | 59.9° |
| H9 | C8 | C9 | H10 | 39.1° | 59.9° |
| H9 | C8 | C9 | H11 | 158.5° | 180.0° |
| H13 | C6 | C5 | H14 | 80.4° | 79.8° |
| H14 | C5 | C4 | H15 | 90.8° | 27.3° |
| H14 | C5 | C4 | H16 | 32.3° | 93.7° |
| H14 | C5 | N | H19 | 54.4° | 43.9° |
| H15 | C4 | N1 | H17 | 121.2° | 0.6° |
| H16 | C4 | N1 | H17 | 1.9° | 120.7° |
