DVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C6 | sing | 1.53Å | 1.53Å | |
| C9 | O1 | sing | 1.43Å | 1.45Å | |
| C6 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C4 | sing | 1.47Å | 1.46Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| C4 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H23 | sing | 1.01Å | 1.00Å | |
| N3 | H24 | sing | 1.01Å | 1.00Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C9 | O1 | 111.3° | 109.5° |
| C9 | C6 | N2 | 115.6° | 109.5° |
| C9 | C6 | H13 | 107.9° | 109.5° |
| C9 | C6 | H14 | 107.9° | 109.5° |
| C6 | C9 | H19 | 109.0° | 109.5° |
| C6 | C9 | H20 | 109.0° | 109.5° |
| O1 | C9 | H19 | 109.0° | 109.4° |
| O1 | C9 | H20 | 109.0° | 109.4° |
| C9 | O1 | H26 | 109.5° | 114.0° |
| C6 | N2 | C4 | 113.5° | 111.0° |
| C6 | N2 | C3 | 110.7° | 110.9° |
| N2 | C6 | H13 | 107.9° | 109.5° |
| N2 | C6 | H14 | 107.9° | 109.4° |
| C4 | N2 | C3 | 106.0° | 110.9° |
| N2 | C4 | C2 | 108.3° | 109.4° |
| N2 | C4 | H9 | 109.8° | 109.5° |
| N2 | C4 | H10 | 109.8° | 109.5° |
| N2 | C3 | C1 | 109.3° | 109.3° |
| N2 | C3 | H7 | 109.5° | 109.5° |
| N2 | C3 | H8 | 109.5° | 109.5° |
| C4 | C2 | N1 | 112.1° | 109.4° |
| C4 | C2 | H5 | 108.8° | 109.5° |
| C4 | C2 | H6 | 108.8° | 109.5° |
| C2 | C4 | H9 | 109.8° | 109.5° |
| C2 | C4 | H10 | 109.7° | 109.5° |
| C3 | C1 | N1 | 113.2° | 109.4° |
| C3 | C1 | H1 | 108.5° | 109.5° |
| C3 | C1 | H2 | 108.5° | 109.5° |
| C1 | C3 | H7 | 109.5° | 109.4° |
| C1 | C3 | H8 | 109.5° | 109.5° |
| C2 | N1 | C1 | 113.3° | 110.9° |
| C2 | N1 | C5 | 107.1° | 111.0° |
| N1 | C2 | H5 | 108.8° | 109.5° |
| N1 | C2 | H6 | 108.8° | 109.5° |
| C1 | N1 | C5 | 109.8° | 111.0° |
| N1 | C1 | H1 | 108.5° | 109.5° |
| N1 | C1 | H2 | 108.5° | 109.5° |
| N1 | C5 | C7 | 109.5° | 109.5° |
| N1 | C5 | H11 | 109.5° | 109.4° |
| N1 | C5 | H12 | 109.4° | 109.4° |
| C5 | C7 | C8 | 111.9° | 109.5° |
| C7 | C5 | H11 | 109.5° | 109.5° |
| C7 | C5 | H12 | 109.5° | 109.5° |
| C5 | C7 | H15 | 108.9° | 109.5° |
| C5 | C7 | H16 | 108.8° | 109.5° |
| C7 | C8 | C10 | 111.6° | 109.5° |
| C8 | C7 | H15 | 108.9° | 109.4° |
| C8 | C7 | H16 | 108.9° | 109.5° |
| C7 | C8 | H17 | 108.9° | 109.4° |
| C7 | C8 | H18 | 108.9° | 109.4° |
| C8 | C10 | N3 | 109.8° | 109.5° |
| C8 | C10 | H3 | 109.4° | 109.5° |
| C8 | C10 | H4 | 109.4° | 109.5° |
| C10 | C8 | H17 | 109.0° | 109.5° |
| C10 | C8 | H18 | 108.9° | 109.5° |
| N3 | C10 | H3 | 109.4° | 109.4° |
| N3 | C10 | H4 | 109.4° | 109.4° |
| C10 | N3 | H23 | 109.5° | 111.0° |
| C10 | N3 | H24 | 109.5° | 111.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C10 | H4 | 109.4° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.4° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.4° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.5° |
| H15 | C7 | H16 | 109.5° | 109.4° |
| H17 | C8 | H18 | 109.5° | 109.5° |
| H19 | C9 | H20 | 109.4° | 109.5° |
| H23 | N3 | H24 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C9 | O1 | H19 | 120.3° | 120.0° |
| C6 | C9 | O1 | H20 | 120.3° | 120.0° |
| C9 | C6 | N2 | H13 | 120.9° | 120.0° |
| C9 | C6 | N2 | H14 | 120.9° | 120.0° |
| C9 | C6 | N2 | C4 | 14.1° | 170.0° |
| C9 | C6 | N2 | C3 | 133.2° | 66.2° |
| C9 | C6 | H13 | H14 | 117.2° | 120.0° |
| C6 | C9 | H19 | H20 | 119.1° | 120.1° |
| C6 | C9 | O1 | H26 | 180.0° | 180.0° |
| O1 | C9 | C6 | N2 | 101.7° | 65.0° |
| O1 | C9 | C6 | H13 | 137.4° | 175.0° |
| O1 | C9 | C6 | H14 | 19.2° | 55.0° |
| O1 | C9 | H19 | H20 | 119.1° | 119.9° |
| C6 | N2 | C4 | C3 | 121.7° | 123.8° |
| C6 | N2 | C4 | C2 | 169.3° | 176.8° |
| C6 | N2 | C3 | C1 | 170.4° | 176.8° |
| C6 | N2 | C3 | H7 | 50.4° | 63.3° |
| C6 | N2 | C3 | H8 | 69.6° | 56.8° |
| C6 | N2 | C4 | H9 | 70.9° | 56.8° |
| C6 | N2 | C4 | H10 | 49.5° | 63.1° |
| N2 | C6 | H13 | H14 | 117.3° | 120.0° |
| N2 | C6 | C9 | H19 | 138.0° | 175.0° |
| N2 | C6 | C9 | H20 | 18.6° | 55.0° |
| N2 | C4 | C2 | H9 | 119.8° | 120.0° |
| N2 | C4 | C2 | H10 | 119.8° | 120.0° |
| C4 | N2 | C3 | C1 | 66.2° | 59.3° |
| N2 | C4 | C2 | N1 | 59.2° | 58.4° |
| N2 | C4 | C2 | H5 | 179.6° | 178.4° |
| N2 | C4 | C2 | H6 | 61.2° | 61.6° |
| C4 | N2 | C3 | H7 | 173.8° | 60.6° |
| C4 | N2 | C3 | H8 | 53.8° | 179.3° |
| N2 | C4 | H9 | H10 | 120.6° | 120.0° |
| C4 | N2 | C6 | H13 | 135.0° | 70.0° |
| C4 | N2 | C6 | H14 | 106.7° | 50.0° |
| C3 | N2 | C4 | C2 | 69.0° | 59.3° |
| N2 | C3 | C1 | H7 | 120.0° | 119.9° |
| N2 | C3 | C1 | H8 | 120.0° | 120.0° |
| N2 | C3 | C1 | N1 | 53.4° | 58.4° |
| N2 | C3 | C1 | H1 | 67.1° | 61.6° |
| N2 | C3 | C1 | H2 | 174.0° | 178.4° |
| N2 | C3 | H7 | H8 | 120.1° | 120.1° |
| C3 | N2 | C4 | H9 | 50.8° | 179.4° |
| C3 | N2 | C4 | H10 | 171.2° | 60.7° |
| C3 | N2 | C6 | H13 | 105.9° | 53.8° |
| C3 | N2 | C6 | H14 | 12.3° | 173.8° |
| C4 | C2 | N1 | H5 | 120.4° | 120.0° |
| C4 | C2 | N1 | H6 | 120.4° | 120.0° |
| C4 | C2 | N1 | C1 | 45.4° | 59.3° |
| C4 | C2 | N1 | C5 | 166.6° | 176.8° |
| C4 | C2 | H5 | H6 | 118.8° | 120.1° |
| C2 | C4 | H9 | H10 | 120.5° | 120.0° |
| C3 | C1 | N1 | C2 | 42.8° | 59.3° |
| C3 | C1 | N1 | H1 | 120.5° | 120.0° |
| C3 | C1 | N1 | H2 | 120.6° | 120.1° |
| C3 | C1 | N1 | C5 | 162.5° | 176.9° |
| C3 | C1 | H1 | H2 | 118.3° | 120.1° |
| C1 | C3 | H7 | H8 | 120.1° | 120.1° |
| C2 | N1 | C1 | C5 | 119.7° | 123.8° |
| C2 | N1 | C5 | C7 | 88.3° | 66.2° |
| C2 | N1 | C1 | H1 | 77.8° | 60.7° |
| C2 | N1 | C1 | H2 | 163.4° | 179.4° |
| N1 | C2 | H5 | H6 | 118.8° | 120.0° |
| N1 | C2 | C4 | H9 | 60.6° | 178.4° |
| N1 | C2 | C4 | H10 | 179.0° | 61.6° |
| C2 | N1 | C5 | H11 | 31.7° | 173.8° |
| C2 | N1 | C5 | H12 | 151.8° | 53.8° |
| C1 | N1 | C5 | C7 | 148.3° | 170.0° |
| N1 | C1 | H1 | H2 | 118.3° | 120.0° |
| C1 | N1 | C2 | H5 | 165.8° | 179.3° |
| C1 | N1 | C2 | H6 | 75.0° | 60.7° |
| N1 | C1 | C3 | H7 | 173.4° | 61.6° |
| N1 | C1 | C3 | H8 | 66.6° | 178.4° |
| C1 | N1 | C5 | H11 | 91.7° | 50.0° |
| C1 | N1 | C5 | H12 | 28.3° | 70.0° |
| N1 | C5 | C7 | H11 | 120.0° | 119.9° |
| N1 | C5 | C7 | H12 | 120.0° | 120.0° |
| N1 | C5 | C7 | C8 | 146.9° | 180.0° |
| C5 | N1 | C1 | H1 | 41.9° | 63.2° |
| C5 | N1 | C1 | H2 | 77.0° | 56.8° |
| C5 | N1 | C2 | H5 | 73.0° | 56.8° |
| C5 | N1 | C2 | H6 | 46.2° | 63.2° |
| N1 | C5 | H11 | H12 | 120.0° | 120.0° |
| N1 | C5 | C7 | H15 | 92.7° | 60.0° |
| N1 | C5 | C7 | H16 | 26.6° | 60.0° |
| C5 | C7 | C8 | H15 | 120.4° | 120.1° |
| C5 | C7 | C8 | H16 | 120.3° | 120.1° |
| C5 | C7 | C8 | C10 | 87.7° | 180.0° |
| C7 | C5 | H11 | H12 | 120.0° | 120.1° |
| C5 | C7 | H15 | H16 | 118.9° | 120.0° |
| C5 | C7 | C8 | H17 | 151.9° | 60.0° |
| C5 | C7 | C8 | H18 | 32.6° | 60.0° |
| C7 | C8 | C10 | H17 | 120.3° | 120.0° |
| C7 | C8 | C10 | H18 | 120.3° | 119.9° |
| C7 | C8 | C10 | N3 | 176.9° | 180.0° |
| C7 | C8 | C10 | H3 | 56.8° | 60.1° |
| C7 | C8 | C10 | H4 | 63.0° | 60.0° |
| C8 | C7 | C5 | H11 | 26.9° | 60.0° |
| C8 | C7 | C5 | H12 | 93.1° | 60.0° |
| C8 | C7 | H15 | H16 | 118.9° | 119.9° |
| C7 | C8 | H17 | H18 | 119.0° | 120.0° |
| C8 | C10 | N3 | H3 | 120.1° | 120.0° |
| C8 | C10 | N3 | H4 | 120.1° | 120.0° |
| C8 | C10 | H3 | H4 | 119.8° | 120.1° |
| C10 | C8 | C7 | H15 | 32.6° | 60.0° |
| C10 | C8 | C7 | H16 | 151.9° | 59.9° |
| C10 | C8 | H17 | H18 | 119.0° | 120.1° |
| C8 | C10 | N3 | H23 | 180.0° | 56.0° |
| C8 | C10 | N3 | H24 | 60.0° | 180.0° |
| N3 | C10 | H3 | H4 | 119.8° | 120.0° |
| N3 | C10 | C8 | H17 | 62.8° | 60.0° |
| N3 | C10 | C8 | H18 | 56.6° | 60.1° |
| C10 | N3 | H23 | H24 | 120.0° | 124.0° |
| H1 | C1 | C3 | H7 | 52.9° | 178.5° |
| H1 | C1 | C3 | H8 | 172.9° | 58.4° |
| H2 | C1 | C3 | H7 | 66.0° | 58.4° |
| H2 | C1 | C3 | H8 | 54.0° | 61.6° |
| H3 | C10 | C8 | H17 | 177.2° | 59.9° |
| H3 | C10 | C8 | H18 | 63.5° | 180.0° |
| H3 | C10 | N3 | H23 | 59.9° | 64.0° |
| H3 | C10 | N3 | H24 | 179.9° | 60.0° |
| H4 | C10 | C8 | H17 | 57.3° | 180.0° |
| H4 | C10 | C8 | H18 | 176.7° | 59.9° |
| H4 | C10 | N3 | H23 | 59.9° | 176.0° |
| H4 | C10 | N3 | H24 | 60.1° | 60.0° |
| H5 | C2 | C4 | H9 | 59.8° | 61.6° |
| H5 | C2 | C4 | H10 | 60.6° | 58.3° |
| H6 | C2 | C4 | H9 | 179.0° | 58.4° |
| H6 | C2 | C4 | H10 | 58.6° | 178.4° |
| H11 | C5 | C7 | H15 | 147.3° | 60.0° |
| H11 | C5 | C7 | H16 | 93.4° | 179.9° |
| H12 | C5 | C7 | H15 | 27.3° | 180.0° |
| H12 | C5 | C7 | H16 | 146.5° | 60.0° |
| H13 | C6 | C9 | H19 | 17.1° | 55.0° |
| H13 | C6 | C9 | H20 | 102.3° | 65.0° |
| H14 | C6 | C9 | H19 | 101.1° | 65.0° |
| H14 | C6 | C9 | H20 | 139.5° | 175.0° |
| H15 | C7 | C8 | H17 | 87.7° | 60.0° |
| H15 | C7 | C8 | H18 | 153.0° | 179.9° |
| H16 | C7 | C8 | H17 | 31.6° | 179.9° |
| H16 | C7 | C8 | H18 | 87.8° | 60.1° |
| H19 | C9 | O1 | H26 | 59.7° | 60.0° |
| H20 | C9 | O1 | H26 | 59.7° | 60.0° |
