VLX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C9 | doub | 1.21Å | 1.18Å | |
| C11 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C5 | sing | 1.53Å | 1.53Å | |
| C9 | N2 | sing | 1.35Å | 1.45Å | |
| C9 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| C7 | C10 | sing | 1.53Å | 1.53Å | |
| C7 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.50Å | |
| C2 | C1 | sing | 1.55Å | 1.53Å | |
| N1 | C6 | sing | 1.35Å | 1.50Å | |
| C4 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | C3 | sing | 1.55Å | 1.48Å | |
| C6 | C3 | sing | 1.51Å | 1.50Å | |
| C6 | O1 | doub | 1.21Å | 1.18Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C9 | N2 | 120.2° | 120.0° |
| O2 | C9 | C5 | 119.5° | 120.1° |
| C11 | C8 | C5 | 109.2° | 109.4° |
| C8 | C11 | H14 | 109.5° | 109.5° |
| C8 | C11 | H15 | 109.5° | 109.5° |
| C8 | C11 | H16 | 109.4° | 109.5° |
| C11 | C8 | H17 | 109.6° | 109.5° |
| C11 | C8 | H18 | 109.5° | 109.5° |
| C8 | C5 | C9 | 109.2° | 109.5° |
| C8 | C5 | N1 | 110.1° | 109.5° |
| C8 | C5 | H6 | 109.2° | 109.5° |
| C5 | C8 | H17 | 109.5° | 109.5° |
| C5 | C8 | H18 | 109.5° | 109.4° |
| N2 | C9 | C5 | 120.3° | 120.0° |
| C9 | N2 | H19 | 120.0° | 120.0° |
| C9 | N2 | H20 | 120.0° | 119.9° |
| C9 | C5 | N1 | 108.9° | 109.4° |
| C9 | C5 | H6 | 109.2° | 109.5° |
| C5 | N1 | C2 | 126.7° | 124.4° |
| C5 | N1 | C6 | 124.9° | 124.4° |
| N1 | C5 | H6 | 110.2° | 109.4° |
| C10 | C7 | C4 | 109.8° | 109.4° |
| C7 | C10 | H1 | 109.5° | 109.4° |
| C7 | C10 | H2 | 109.5° | 109.5° |
| C7 | C10 | H3 | 109.5° | 109.5° |
| C10 | C7 | H4 | 109.4° | 109.5° |
| C10 | C7 | H5 | 109.4° | 109.4° |
| C7 | C4 | C1 | 110.6° | 109.4° |
| C4 | C7 | H4 | 109.4° | 109.5° |
| C4 | C7 | H5 | 109.4° | 109.5° |
| C7 | C4 | H7 | 109.2° | 109.5° |
| C7 | C4 | H8 | 109.2° | 109.5° |
| N1 | C2 | C1 | 105.3° | 105.4° |
| C2 | N1 | C6 | 108.4° | 111.2° |
| N1 | C2 | H11 | 110.5° | 110.2° |
| N1 | C2 | H12 | 110.5° | 110.3° |
| C2 | C1 | C4 | 110.2° | 111.0° |
| C2 | C1 | C3 | 109.2° | 101.7° |
| C1 | C2 | H11 | 110.5° | 110.2° |
| C1 | C2 | H12 | 110.5° | 110.2° |
| C2 | C1 | H13 | 109.6° | 111.0° |
| N1 | C6 | C3 | 108.5° | 110.1° |
| N1 | C6 | O1 | 125.6° | 125.0° |
| C4 | C1 | C3 | 108.1° | 111.0° |
| C1 | C4 | H7 | 109.2° | 109.5° |
| C1 | C4 | H8 | 109.2° | 109.4° |
| C4 | C1 | H13 | 109.4° | 110.9° |
| C1 | C3 | C6 | 106.8° | 104.3° |
| C1 | C3 | H9 | 110.1° | 110.4° |
| C1 | C3 | H10 | 110.1° | 110.5° |
| C3 | C1 | H13 | 110.3° | 110.9° |
| C3 | C6 | O1 | 125.9° | 124.9° |
| C6 | C3 | H9 | 110.1° | 110.5° |
| C6 | C3 | H10 | 110.1° | 110.5° |
| H1 | C10 | H2 | 109.4° | 109.4° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 110.4° |
| H11 | C2 | H12 | 109.5° | 110.4° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H14 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H17 | C8 | H18 | 109.5° | 109.5° |
| H19 | N2 | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C9 | C5 | C8 | 50.7° | 120.0° |
| O2 | C9 | N2 | C5 | 179.7° | 180.0° |
| O2 | C9 | C5 | N1 | 69.5° | 0.0° |
| O2 | C9 | C5 | H6 | 170.1° | 120.0° |
| O2 | C9 | N2 | H19 | 0.0° | 180.0° |
| O2 | C9 | N2 | H20 | 180.0° | 0.0° |
| C11 | C8 | C5 | H17 | 120.0° | 120.0° |
| C11 | C8 | C5 | H18 | 119.9° | 120.0° |
| C11 | C8 | C5 | C9 | 95.7° | 175.0° |
| C11 | C8 | C5 | N1 | 144.8° | 65.0° |
| C11 | C8 | C5 | H6 | 23.7° | 55.0° |
| C8 | C11 | H14 | H15 | 120.0° | 120.0° |
| C8 | C11 | H14 | H16 | 120.0° | 120.0° |
| C8 | C11 | H15 | H16 | 120.0° | 120.0° |
| C11 | C8 | H17 | H18 | 120.1° | 120.0° |
| C8 | C5 | C9 | N2 | 129.6° | 60.0° |
| C8 | C5 | C9 | N1 | 120.2° | 120.0° |
| C8 | C5 | C9 | H6 | 119.4° | 120.1° |
| C8 | C5 | N1 | H6 | 120.5° | 120.0° |
| C8 | C5 | N1 | C2 | 19.1° | 120.0° |
| C8 | C5 | N1 | C6 | 160.8° | 60.1° |
| C5 | C8 | C11 | H14 | 180.0° | 60.0° |
| C5 | C8 | C11 | H15 | 60.0° | 60.0° |
| C5 | C8 | C11 | H16 | 60.0° | 180.0° |
| C5 | C8 | H17 | H18 | 120.1° | 120.0° |
| N2 | C9 | C5 | N1 | 110.2° | 180.0° |
| N2 | C9 | C5 | H6 | 10.2° | 60.0° |
| C9 | N2 | H19 | H20 | 180.0° | 179.9° |
| C9 | C5 | N1 | H6 | 119.8° | 120.0° |
| C9 | C5 | N1 | C2 | 100.5° | 120.0° |
| C9 | C5 | N1 | C6 | 79.5° | 59.9° |
| C9 | C5 | C8 | H17 | 24.3° | 65.0° |
| C9 | C5 | C8 | H18 | 144.4° | 55.0° |
| C5 | C9 | N2 | H19 | 179.7° | 0.0° |
| C5 | C9 | N2 | H20 | 0.3° | 180.0° |
| C5 | N1 | C2 | C6 | 179.9° | 180.0° |
| C5 | N1 | C2 | C1 | 172.2° | 163.0° |
| C5 | N1 | C6 | C3 | 179.9° | 179.6° |
| C5 | N1 | C6 | O1 | 0.1° | 0.5° |
| C5 | N1 | C2 | H11 | 68.4° | 44.0° |
| C5 | N1 | C2 | H12 | 52.9° | 78.0° |
| N1 | C5 | C8 | H17 | 95.2° | 55.0° |
| N1 | C5 | C8 | H18 | 24.9° | 175.0° |
| C10 | C7 | C4 | H4 | 120.0° | 120.0° |
| C10 | C7 | C4 | H5 | 120.0° | 119.9° |
| C10 | C7 | C4 | C1 | 105.1° | 180.0° |
| C7 | C10 | H1 | H2 | 120.0° | 119.9° |
| C7 | C10 | H1 | H3 | 120.0° | 120.1° |
| C7 | C10 | H2 | H3 | 120.0° | 120.1° |
| C10 | C7 | H4 | H5 | 119.8° | 120.0° |
| C10 | C7 | C4 | H7 | 134.7° | 60.0° |
| C10 | C7 | C4 | H8 | 15.1° | 60.1° |
| C7 | C4 | C1 | C2 | 52.1° | 175.0° |
| C7 | C4 | C1 | H7 | 120.2° | 120.0° |
| C7 | C4 | C1 | H8 | 120.2° | 119.9° |
| C7 | C4 | C1 | C3 | 171.4° | 72.6° |
| C4 | C7 | C10 | H1 | 180.0° | 180.0° |
| C4 | C7 | C10 | H2 | 60.0° | 60.1° |
| C4 | C7 | C10 | H3 | 60.0° | 60.0° |
| C4 | C7 | H4 | H5 | 119.9° | 120.1° |
| C7 | C4 | H7 | H8 | 119.4° | 120.1° |
| C7 | C4 | C1 | H13 | 68.4° | 51.2° |
| N1 | C2 | C1 | H11 | 119.3° | 118.9° |
| N1 | C2 | C1 | H12 | 119.3° | 119.0° |
| N1 | C2 | C1 | C4 | 131.5° | 143.5° |
| N1 | C2 | C1 | C3 | 12.9° | 25.4° |
| C2 | N1 | C6 | C3 | 0.1° | 0.3° |
| C2 | N1 | C6 | O1 | 180.0° | 179.6° |
| C2 | N1 | C5 | H6 | 139.7° | 0.0° |
| N1 | C2 | H11 | H12 | 121.9° | 122.0° |
| N1 | C2 | C1 | H13 | 108.1° | 92.7° |
| C1 | C2 | N1 | C6 | 7.7° | 17.0° |
| C2 | C1 | C4 | C3 | 119.3° | 112.4° |
| C2 | C1 | C4 | H13 | 120.6° | 123.8° |
| C2 | C1 | C3 | H13 | 120.6° | 118.1° |
| C2 | C1 | C3 | C6 | 12.9° | 24.9° |
| C2 | C1 | C4 | H7 | 68.0° | 55.0° |
| C2 | C1 | C4 | H8 | 172.3° | 65.0° |
| C2 | C1 | C3 | H9 | 106.6° | 93.9° |
| C2 | C1 | C3 | H10 | 132.5° | 143.7° |
| C1 | C2 | H11 | H12 | 121.9° | 122.0° |
| N1 | C6 | C3 | C1 | 7.9° | 16.3° |
| N1 | C6 | C3 | O1 | 179.9° | 179.9° |
| C6 | N1 | C5 | H6 | 40.3° | 179.9° |
| N1 | C6 | C3 | H9 | 111.7° | 102.4° |
| N1 | C6 | C3 | H10 | 127.5° | 135.1° |
| C6 | N1 | C2 | H11 | 111.6° | 135.9° |
| C6 | N1 | C2 | H12 | 127.1° | 102.0° |
| C4 | C1 | C3 | H13 | 119.6° | 123.8° |
| C4 | C1 | C3 | C6 | 132.8° | 143.0° |
| C1 | C4 | C7 | H4 | 14.9° | 60.0° |
| C1 | C4 | C7 | H5 | 134.9° | 60.1° |
| C1 | C4 | H7 | H8 | 119.5° | 120.0° |
| C4 | C1 | C3 | H9 | 13.3° | 24.2° |
| C4 | C1 | C3 | H10 | 107.6° | 98.2° |
| C4 | C1 | C2 | H11 | 12.2° | 97.5° |
| C4 | C1 | C2 | H12 | 109.2° | 24.6° |
| C1 | C3 | C6 | H9 | 119.6° | 118.7° |
| C1 | C3 | C6 | H10 | 119.6° | 118.8° |
| C1 | C3 | C6 | O1 | 172.0° | 163.8° |
| C3 | C1 | C4 | H7 | 51.3° | 167.4° |
| C3 | C1 | C4 | H8 | 68.4° | 47.3° |
| C1 | C3 | H9 | H10 | 121.2° | 122.4° |
| C3 | C1 | C2 | H11 | 106.4° | 144.3° |
| C3 | C1 | C2 | H12 | 132.2° | 93.6° |
| C6 | C3 | H9 | H10 | 121.2° | 122.6° |
| C6 | C3 | C1 | H13 | 107.6° | 93.3° |
| O1 | C6 | C3 | H9 | 68.4° | 77.5° |
| O1 | C6 | C3 | H10 | 52.4° | 45.0° |
| H1 | C10 | H2 | H3 | 119.9° | 120.0° |
| H1 | C10 | C7 | H4 | 60.0° | 60.0° |
| H1 | C10 | C7 | H5 | 60.0° | 60.1° |
| H2 | C10 | C7 | H4 | 60.0° | 60.0° |
| H2 | C10 | C7 | H5 | 180.0° | 180.0° |
| H3 | C10 | C7 | H4 | 180.0° | 180.0° |
| H3 | C10 | C7 | H5 | 60.0° | 60.0° |
| H4 | C7 | C4 | H7 | 105.3° | 180.0° |
| H4 | C7 | C4 | H8 | 135.1° | 59.9° |
| H5 | C7 | C4 | H7 | 14.7° | 59.9° |
| H5 | C7 | C4 | H8 | 105.0° | 180.0° |
| H6 | C5 | C8 | H17 | 143.7° | 175.0° |
| H6 | C5 | C8 | H18 | 96.2° | 65.0° |
| H7 | C4 | C1 | H13 | 171.4° | 68.8° |
| H8 | C4 | C1 | H13 | 51.8° | 171.1° |
| H9 | C3 | C1 | H13 | 132.8° | 148.0° |
| H10 | C3 | C1 | H13 | 12.0° | 25.5° |
| H11 | C2 | C1 | H13 | 132.6° | 26.2° |
| H12 | C2 | C1 | H13 | 11.2° | 148.3° |
| H14 | C11 | H15 | H16 | 120.0° | 120.0° |
| H14 | C11 | C8 | H17 | 60.0° | 180.0° |
| H14 | C11 | C8 | H18 | 60.1° | 60.0° |
| H15 | C11 | C8 | H17 | 60.0° | 60.0° |
| H15 | C11 | C8 | H18 | 179.9° | 180.0° |
| H16 | C11 | C8 | H17 | 179.9° | 60.0° |
| H16 | C11 | C8 | H18 | 60.0° | 60.1° |
