VND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C3 | sing | 1.43Å | 1.40Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| O1 | C6 | sing | 1.43Å | 1.39Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O3 | sing | 1.43Å | 1.40Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | O2 | sing | 1.43Å | 1.40Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | 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 | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| O1 | H20 | sing | 0.97Å | 0.95Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å | |
| O3 | H22 | sing | 0.97Å | 0.95Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C3 | C2 | 110.1° | 109.4° |
| O5 | C3 | C4 | 111.7° | 109.5° |
| O5 | C3 | H17 | 109.3° | 109.4° |
| C3 | O5 | H24 | 109.5° | 114.0° |
| C8 | C9 | C10 | 118.7° | 109.5° |
| C9 | C8 | N1 | 112.8° | 109.5° |
| C9 | C8 | H7 | 108.7° | 109.5° |
| C9 | C8 | H8 | 108.7° | 109.5° |
| C8 | C9 | H18 | 107.1° | 109.5° |
| C8 | C9 | H19 | 107.1° | 109.5° |
| C9 | C10 | C11 | 110.1° | 109.5° |
| C9 | C10 | H9 | 109.3° | 109.5° |
| C9 | C10 | H10 | 109.3° | 109.5° |
| C10 | C9 | H18 | 107.1° | 109.4° |
| C10 | C9 | H19 | 107.1° | 109.4° |
| C8 | N1 | C2 | 111.3° | 111.0° |
| C8 | N1 | H1 | 109.0° | 111.0° |
| N1 | C8 | H7 | 108.6° | 109.5° |
| N1 | C8 | H8 | 108.6° | 109.5° |
| N1 | C2 | C3 | 107.7° | 109.4° |
| N1 | C2 | C1 | 108.8° | 109.5° |
| C2 | N1 | H1 | 109.0° | 111.0° |
| N1 | C2 | H16 | 110.9° | 109.5° |
| C11 | C10 | H9 | 109.3° | 109.5° |
| C11 | C10 | H10 | 109.3° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C2 | C3 | C4 | 110.4° | 109.5° |
| C3 | C2 | C1 | 109.2° | 109.4° |
| C3 | C2 | H16 | 110.0° | 109.5° |
| C2 | C3 | H17 | 107.6° | 109.4° |
| C3 | C4 | O4 | 110.1° | 109.4° |
| C3 | C4 | C5 | 108.0° | 109.5° |
| C3 | C4 | H3 | 109.7° | 109.5° |
| C4 | C3 | H17 | 107.7° | 109.5° |
| C2 | C1 | C6 | 113.2° | 109.5° |
| C2 | C1 | H11 | 108.5° | 109.5° |
| C2 | C1 | H12 | 108.5° | 109.5° |
| C1 | C2 | H16 | 110.1° | 109.5° |
| O4 | C4 | C5 | 107.9° | 109.5° |
| O4 | C4 | H3 | 111.4° | 109.5° |
| C4 | O4 | H23 | 109.5° | 114.0° |
| C4 | C5 | C6 | 110.7° | 109.5° |
| C4 | C5 | O3 | 107.5° | 109.5° |
| C5 | C4 | H3 | 109.7° | 109.5° |
| C4 | C5 | H4 | 109.7° | 109.5° |
| C1 | C6 | O1 | 107.3° | 109.5° |
| C1 | C6 | C5 | 113.4° | 109.4° |
| C1 | C6 | C7 | 109.3° | 109.5° |
| C6 | C1 | H11 | 108.5° | 109.4° |
| C6 | C1 | H12 | 108.5° | 109.5° |
| O1 | C6 | C5 | 107.5° | 109.5° |
| O1 | C6 | C7 | 110.9° | 109.5° |
| C6 | O1 | H20 | 109.5° | 114.0° |
| C6 | C5 | O3 | 107.7° | 109.5° |
| C5 | C6 | C7 | 108.4° | 109.5° |
| C6 | C5 | H4 | 109.6° | 109.5° |
| O3 | C5 | H4 | 111.5° | 109.5° |
| C5 | O3 | H22 | 109.5° | 114.0° |
| C6 | C7 | O2 | 108.2° | 109.5° |
| C6 | C7 | H5 | 109.8° | 109.5° |
| C6 | C7 | H6 | 109.8° | 109.5° |
| O2 | C7 | H5 | 109.8° | 109.4° |
| O2 | C7 | H6 | 109.8° | 109.5° |
| C7 | O2 | H21 | 109.5° | 114.0° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C3 | C2 | N1 | 66.1° | 60.0° |
| O5 | C3 | C2 | C4 | 123.8° | 120.0° |
| O5 | C3 | C2 | H17 | 119.0° | 119.9° |
| O5 | C3 | C4 | H17 | 120.0° | 120.0° |
| O5 | C3 | C2 | C1 | 175.9° | 180.0° |
| O5 | C3 | C4 | O4 | 54.6° | 60.0° |
| O5 | C3 | C4 | C5 | 172.2° | 180.0° |
| O5 | C3 | C4 | H3 | 68.4° | 60.0° |
| O5 | C3 | C2 | H16 | 54.9° | 60.0° |
| C8 | C9 | C10 | H18 | 121.3° | 120.0° |
| C8 | C9 | C10 | H19 | 121.3° | 120.0° |
| C9 | C8 | N1 | H7 | 120.5° | 120.0° |
| C9 | C8 | N1 | H8 | 120.5° | 120.0° |
| C9 | C8 | N1 | C2 | 160.6° | 180.0° |
| C8 | C9 | C10 | C11 | 171.5° | 180.0° |
| C9 | C8 | N1 | H1 | 40.4° | 56.1° |
| C9 | C8 | H7 | H8 | 118.5° | 120.0° |
| C8 | C9 | C10 | H9 | 68.4° | 60.0° |
| C8 | C9 | C10 | H10 | 51.4° | 60.0° |
| C8 | C9 | H18 | H19 | 115.8° | 120.1° |
| C10 | C9 | C8 | N1 | 61.6° | 180.0° |
| C9 | C10 | C11 | H9 | 120.1° | 120.0° |
| C9 | C10 | C11 | H10 | 120.1° | 120.0° |
| C10 | C9 | C8 | H7 | 177.9° | 60.0° |
| C10 | C9 | C8 | H8 | 58.9° | 60.0° |
| C9 | C10 | H9 | H10 | 119.7° | 120.0° |
| C9 | C10 | C11 | H13 | 180.0° | 180.0° |
| C9 | C10 | C11 | H14 | 60.0° | 60.0° |
| C9 | C10 | C11 | H15 | 60.0° | 60.0° |
| C10 | C9 | H18 | H19 | 115.8° | 119.9° |
| C8 | N1 | C2 | H1 | 120.3° | 123.9° |
| C8 | N1 | C2 | C3 | 149.7° | 85.0° |
| C8 | N1 | C2 | C1 | 91.9° | 155.0° |
| N1 | C8 | H7 | H8 | 118.5° | 120.0° |
| C8 | N1 | C2 | H16 | 29.3° | 35.0° |
| N1 | C8 | C9 | H18 | 177.1° | 60.0° |
| N1 | C8 | C9 | H19 | 59.7° | 60.0° |
| N1 | C2 | C3 | C1 | 118.1° | 120.0° |
| N1 | C2 | C3 | H16 | 121.0° | 120.0° |
| N1 | C2 | C3 | C4 | 57.7° | 60.0° |
| N1 | C2 | C1 | H16 | 121.8° | 120.0° |
| N1 | C2 | C1 | C6 | 66.2° | 60.0° |
| C2 | N1 | C8 | H7 | 78.9° | 60.0° |
| C2 | N1 | C8 | H8 | 40.1° | 60.0° |
| N1 | C2 | C1 | H11 | 173.2° | 60.0° |
| N1 | C2 | C1 | H12 | 54.4° | 180.0° |
| N1 | C2 | C3 | H17 | 174.9° | 180.0° |
| C11 | C10 | H9 | H10 | 119.7° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H15 | 120.0° | 120.0° |
| C10 | C11 | H14 | H15 | 120.0° | 120.0° |
| C11 | C10 | C9 | H18 | 50.2° | 60.0° |
| C11 | C10 | C9 | H19 | 67.2° | 60.0° |
| C2 | C3 | C4 | H17 | 117.1° | 120.0° |
| C3 | C2 | C1 | H16 | 120.8° | 120.0° |
| C2 | C3 | C4 | O4 | 177.4° | 180.0° |
| C2 | C3 | C4 | C5 | 65.0° | 60.0° |
| C3 | C2 | C1 | C6 | 51.1° | 60.0° |
| C3 | C2 | N1 | H1 | 90.0° | 151.0° |
| C2 | C3 | C4 | H3 | 54.5° | 60.0° |
| C3 | C2 | C1 | H11 | 69.4° | 180.0° |
| C3 | C2 | C1 | H12 | 171.7° | 60.1° |
| C2 | C3 | O5 | H24 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 60.4° | 60.0° |
| C3 | C4 | O4 | C5 | 117.6° | 120.0° |
| C3 | C4 | O4 | H3 | 121.9° | 120.0° |
| C3 | C4 | C5 | H3 | 119.4° | 120.0° |
| C3 | C4 | C5 | C6 | 59.5° | 60.0° |
| C3 | C4 | C5 | O3 | 176.9° | 180.0° |
| C3 | C4 | C5 | H4 | 61.6° | 60.0° |
| C4 | C3 | C2 | H16 | 178.7° | 180.0° |
| C3 | C4 | O4 | H23 | 180.0° | 60.0° |
| C4 | C3 | O5 | H24 | 57.1° | 60.0° |
| C2 | C1 | C6 | H11 | 120.6° | 120.0° |
| C2 | C1 | C6 | H12 | 120.6° | 120.0° |
| C2 | C1 | C6 | O1 | 70.6° | 60.0° |
| C2 | C1 | C6 | C5 | 48.0° | 60.0° |
| C2 | C1 | C6 | C7 | 169.1° | 180.0° |
| C1 | C2 | N1 | H1 | 28.3° | 31.1° |
| C2 | C1 | H11 | H12 | 118.3° | 120.0° |
| C1 | C2 | C3 | H17 | 56.8° | 60.1° |
| O4 | C4 | C5 | H3 | 121.5° | 120.0° |
| O4 | C4 | C5 | C6 | 178.5° | 180.0° |
| O4 | C4 | C5 | O3 | 64.1° | 60.0° |
| O4 | C4 | C5 | H4 | 57.4° | 60.0° |
| O4 | C4 | C3 | H17 | 65.5° | 60.0° |
| C4 | C5 | C6 | C1 | 51.8° | 60.0° |
| C4 | C5 | C6 | O1 | 66.7° | 60.0° |
| C4 | C5 | C6 | O3 | 117.3° | 120.0° |
| C4 | C5 | C6 | H4 | 121.2° | 120.0° |
| C4 | C5 | O3 | H4 | 120.3° | 120.0° |
| C4 | C5 | C6 | C7 | 173.4° | 180.0° |
| C5 | C4 | C3 | H17 | 52.2° | 60.0° |
| C4 | C5 | O3 | H22 | 180.0° | 60.0° |
| C5 | C4 | O4 | H23 | 62.4° | 180.0° |
| C1 | C6 | O1 | C5 | 122.3° | 120.0° |
| C1 | C6 | O1 | C7 | 119.3° | 120.0° |
| C1 | C6 | C5 | C7 | 121.5° | 120.0° |
| C1 | C6 | C5 | O3 | 169.1° | 180.0° |
| C1 | C6 | C7 | O2 | 52.4° | 175.0° |
| C1 | C6 | C5 | H4 | 69.3° | 60.0° |
| C1 | C6 | C7 | H5 | 67.4° | 55.0° |
| C1 | C6 | C7 | H6 | 172.2° | 65.0° |
| C6 | C1 | H11 | H12 | 118.3° | 120.0° |
| C6 | C1 | C2 | H16 | 172.0° | 180.0° |
| C1 | C6 | O1 | H20 | 180.0° | 180.0° |
| O1 | C6 | C5 | C7 | 120.0° | 120.0° |
| O1 | C6 | C5 | O3 | 50.6° | 60.0° |
| O1 | C6 | C7 | O2 | 170.5° | 65.0° |
| O1 | C6 | C5 | H4 | 172.2° | 180.0° |
| O1 | C6 | C7 | H5 | 50.8° | 175.0° |
| O1 | C6 | C7 | H6 | 69.7° | 55.0° |
| O1 | C6 | C1 | H11 | 168.8° | 60.0° |
| O1 | C6 | C1 | H12 | 49.9° | 180.0° |
| C6 | C5 | O3 | H4 | 120.4° | 120.0° |
| C5 | C6 | C7 | O2 | 71.6° | 55.0° |
| C6 | C5 | C4 | H3 | 60.0° | 60.0° |
| C5 | C6 | C7 | H5 | 168.6° | 65.0° |
| C5 | C6 | C7 | H6 | 48.2° | 175.0° |
| C5 | C6 | C1 | H11 | 72.6° | 180.0° |
| C5 | C6 | C1 | H12 | 168.5° | 60.0° |
| C5 | C6 | O1 | H20 | 57.7° | 60.0° |
| C6 | C5 | O3 | H22 | 60.7° | 180.0° |
| O3 | C5 | C6 | C7 | 69.4° | 60.0° |
| O3 | C5 | C4 | H3 | 57.4° | 60.0° |
| C6 | C7 | O2 | H5 | 119.8° | 120.0° |
| C6 | C7 | O2 | H6 | 119.8° | 120.0° |
| C7 | C6 | C5 | H4 | 52.2° | 60.0° |
| C6 | C7 | H5 | H6 | 120.6° | 120.0° |
| C7 | C6 | C1 | H11 | 48.5° | 60.0° |
| C7 | C6 | C1 | H12 | 70.4° | 60.0° |
| C7 | C6 | O1 | H20 | 60.7° | 60.0° |
| C6 | C7 | O2 | H21 | 180.0° | 180.0° |
| O2 | C7 | H5 | H6 | 120.6° | 120.0° |
| H1 | N1 | C8 | H7 | 160.9° | 63.9° |
| H1 | N1 | C8 | H8 | 80.1° | 176.1° |
| H1 | N1 | C2 | H16 | 149.6° | 89.0° |
| H3 | C4 | C5 | H4 | 178.9° | 180.0° |
| H3 | C4 | C3 | H17 | 171.6° | 180.0° |
| H3 | C4 | O4 | H23 | 58.1° | 60.0° |
| H4 | C5 | O3 | H22 | 59.7° | 60.0° |
| H5 | C7 | O2 | H21 | 60.2° | 60.0° |
| H6 | C7 | O2 | H21 | 60.2° | 60.0° |
| H7 | C8 | C9 | H18 | 56.6° | 180.0° |
| H7 | C8 | C9 | H19 | 60.8° | 60.0° |
| H8 | C8 | C9 | H18 | 62.4° | 60.0° |
| H8 | C8 | C9 | H19 | 179.8° | 180.0° |
| H9 | C10 | C11 | H13 | 59.9° | 60.0° |
| H9 | C10 | C11 | H14 | 179.9° | 60.0° |
| H9 | C10 | C11 | H15 | 60.1° | 180.0° |
| H9 | C10 | C9 | H18 | 170.3° | 60.0° |
| H9 | C10 | C9 | H19 | 52.9° | 180.0° |
| H10 | C10 | C11 | H13 | 59.9° | 60.0° |
| H10 | C10 | C11 | H14 | 60.1° | 180.0° |
| H10 | C10 | C11 | H15 | 179.9° | 60.0° |
| H10 | C10 | C9 | H18 | 69.9° | 180.0° |
| H10 | C10 | C9 | H19 | 172.7° | 60.0° |
| H11 | C1 | C2 | H16 | 51.5° | 60.0° |
| H12 | C1 | C2 | H16 | 67.4° | 60.0° |
| H13 | C11 | H14 | H15 | 120.0° | 120.0° |
| H16 | C2 | C3 | H17 | 64.1° | 59.9° |
| H17 | C3 | O5 | H24 | 62.0° | 60.1° |
