V2X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| O | C9 | doub | 1.21Å | 1.25Å | |
| C9 | N | sing | 1.35Å | 1.33Å | |
| N | N1 | sing | 1.40Å | 1.37Å | |
| N1 | C10 | sing | 1.35Å | 1.33Å | |
| O1 | C10 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 121.0° | 120.0° |
| C | C1 | C12 | 120.7° | 120.0° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.4° |
| C1 | C | H16 | 109.5° | 109.4° |
| C2 | C1 | C12 | 118.4° | 120.0° |
| C1 | C2 | C3 | 121.0° | 120.0° |
| C1 | C2 | H5 | 119.5° | 120.0° |
| C1 | C12 | C5 | 121.5° | 120.0° |
| C1 | C12 | H4 | 119.2° | 119.9° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C3 | C2 | H5 | 119.5° | 120.0° |
| C2 | C3 | H6 | 120.2° | 120.0° |
| C12 | C5 | C4 | 119.0° | 120.0° |
| C12 | C5 | C6 | 119.1° | 120.0° |
| C5 | C12 | H4 | 119.2° | 120.1° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | H6 | 120.1° | 120.0° |
| C3 | C4 | H7 | 119.8° | 120.0° |
| C4 | C5 | C6 | 121.8° | 120.0° |
| C5 | C4 | H7 | 119.8° | 120.0° |
| C5 | C6 | C7 | 119.1° | 117.4° |
| C5 | C6 | C8 | 118.8° | 117.5° |
| C5 | C6 | H8 | 115.8° | 115.6° |
| C7 | C6 | C8 | 59.8° | 60.0° |
| C6 | C7 | C8 | 61.3° | 60.0° |
| C7 | C6 | H8 | 116.2° | 117.5° |
| C6 | C7 | H9 | 119.8° | 117.5° |
| C6 | C7 | H10 | 119.8° | 117.5° |
| C6 | C8 | C7 | 58.9° | 60.0° |
| C6 | C8 | C9 | 122.2° | 117.5° |
| C8 | C6 | H8 | 115.6° | 117.5° |
| C6 | C8 | H13 | 116.4° | 117.5° |
| C7 | C8 | C9 | 112.4° | 117.5° |
| C8 | C7 | H9 | 119.8° | 117.5° |
| C8 | C7 | H10 | 119.8° | 117.5° |
| C7 | C8 | H13 | 116.9° | 117.5° |
| C8 | C9 | O | 125.4° | 120.0° |
| C8 | C9 | N | 106.9° | 120.0° |
| C9 | C8 | H13 | 116.6° | 115.6° |
| O | C9 | N | 127.4° | 120.0° |
| C9 | N | N1 | 120.4° | 120.0° |
| C9 | N | H12 | 119.8° | 120.0° |
| N | N1 | C10 | 118.2° | 120.0° |
| N | N1 | H11 | 120.9° | 120.1° |
| N1 | N | H12 | 119.8° | 120.0° |
| N1 | C10 | O1 | 122.0° | 120.0° |
| N1 | C10 | C11 | 112.6° | 120.0° |
| C10 | N1 | H11 | 120.9° | 120.0° |
| O1 | C10 | C11 | 125.3° | 119.9° |
| C10 | C11 | H1 | 109.5° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.4° |
| C10 | C11 | H3 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.4° | 109.4° |
| H1 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.4° |
| H9 | C7 | H10 | 109.5° | 115.6° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C12 | 179.8° | 179.9° |
| C | C1 | C2 | C3 | 179.0° | 179.9° |
| C | C1 | C12 | C5 | 179.9° | 180.0° |
| C | C1 | C12 | H4 | 0.1° | 0.4° |
| C | C1 | C2 | H5 | 1.0° | 0.0° |
| C1 | C | H14 | H15 | 120.0° | 119.9° |
| C1 | C | H14 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 180.0° | 179.9° |
| C2 | C1 | C12 | C5 | 0.3° | 0.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | C12 | H4 | 179.6° | 179.7° |
| C1 | C2 | C3 | H6 | 179.2° | 180.0° |
| C2 | C1 | C | H14 | 90.1° | 90.0° |
| C2 | C1 | C | H15 | 149.9° | 150.0° |
| C2 | C1 | C | H16 | 29.9° | 30.0° |
| C12 | C1 | C2 | C3 | 1.2° | 0.0° |
| C1 | C12 | C5 | H4 | 180.0° | 179.7° |
| C1 | C12 | C5 | C4 | 0.9° | 0.0° |
| C1 | C12 | C5 | C6 | 178.0° | 179.7° |
| C12 | C1 | C2 | H5 | 178.8° | 179.9° |
| C12 | C1 | C | H14 | 90.1° | 89.9° |
| C12 | C1 | C | H15 | 29.9° | 30.0° |
| C12 | C1 | C | H16 | 149.9° | 150.0° |
| C2 | C3 | C4 | H6 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | H7 | 179.6° | 180.0° |
| C12 | C5 | C4 | C3 | 1.3° | 0.0° |
| C12 | C5 | C4 | C6 | 177.0° | 179.7° |
| C12 | C5 | C6 | C7 | 51.7° | 171.4° |
| C12 | C5 | C6 | C8 | 121.2° | 120.0° |
| C12 | C5 | C4 | H7 | 178.7° | 180.0° |
| C12 | C5 | C6 | H8 | 94.4° | 25.8° |
| C3 | C4 | C5 | H7 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 178.3° | 179.7° |
| C4 | C3 | C2 | H5 | 179.1° | 179.9° |
| C4 | C5 | C6 | C7 | 125.2° | 8.9° |
| C4 | C5 | C6 | C8 | 55.8° | 59.7° |
| C4 | C5 | C12 | H4 | 179.1° | 179.7° |
| C5 | C4 | C3 | H6 | 179.5° | 180.0° |
| C4 | C5 | C6 | H8 | 88.6° | 154.5° |
| C5 | C6 | C7 | C8 | 108.3° | 107.5° |
| C5 | C6 | C7 | H8 | 146.1° | 145.0° |
| C5 | C6 | C8 | H8 | 144.5° | 145.1° |
| C5 | C6 | C8 | C9 | 152.9° | 145.1° |
| C6 | C5 | C12 | H4 | 2.1° | 0.0° |
| C6 | C5 | C4 | H7 | 1.7° | 0.3° |
| C5 | C6 | C7 | H9 | 141.9° | 145.0° |
| C5 | C6 | C7 | H10 | 1.5° | 0.0° |
| C5 | C6 | C8 | H13 | 1.9° | 0.1° |
| C7 | C6 | C8 | H8 | 106.8° | 107.5° |
| C6 | C7 | C8 | H9 | 109.8° | 107.5° |
| C6 | C7 | C8 | H10 | 109.8° | 107.5° |
| C7 | C6 | C8 | C9 | 98.3° | 107.5° |
| C6 | C7 | H9 | H10 | 144.1° | 145.7° |
| C7 | C6 | C8 | H13 | 106.8° | 107.5° |
| C6 | C8 | C9 | H13 | 154.8° | 145.7° |
| C6 | C8 | C9 | O | 0.9° | 0.0° |
| C6 | C8 | C9 | N | 174.4° | 180.0° |
| C7 | C8 | C9 | H13 | 138.8° | 145.7° |
| C7 | C8 | C9 | O | 65.5° | 68.6° |
| C7 | C8 | C9 | N | 108.0° | 111.4° |
| C8 | C7 | H9 | H10 | 144.0° | 145.7° |
| C8 | C9 | O | N | 172.2° | 179.9° |
| C8 | C9 | N | N1 | 170.2° | 180.0° |
| C9 | C8 | C6 | H8 | 8.4° | 0.1° |
| C9 | C8 | C7 | H9 | 5.4° | 0.0° |
| C9 | C8 | C7 | H10 | 135.0° | 145.0° |
| C8 | C9 | N | H12 | 9.8° | 0.0° |
| O | C9 | N | N1 | 3.1° | 0.0° |
| O | C9 | N | H12 | 176.9° | 180.0° |
| O | C9 | C8 | H13 | 155.7° | 145.6° |
| C9 | N | N1 | H12 | 180.0° | 180.0° |
| C9 | N | N1 | C10 | 119.1° | 180.0° |
| C9 | N | N1 | H11 | 60.9° | 0.0° |
| N | C9 | C8 | H13 | 30.8° | 34.3° |
| N | N1 | C10 | H11 | 180.0° | 180.0° |
| N | N1 | C10 | O1 | 16.9° | 0.3° |
| N | N1 | C10 | C11 | 167.3° | 180.0° |
| N1 | C10 | O1 | C11 | 175.2° | 179.7° |
| N1 | C10 | C11 | H1 | 175.6° | 90.2° |
| N1 | C10 | C11 | H2 | 55.6° | 29.7° |
| N1 | C10 | C11 | H3 | 64.4° | 149.7° |
| C10 | N1 | N | H12 | 60.9° | 0.0° |
| O1 | C10 | C11 | H1 | 0.0° | 90.0° |
| O1 | C10 | C11 | H2 | 120.0° | 150.0° |
| O1 | C10 | C11 | H3 | 120.0° | 30.0° |
| O1 | C10 | N1 | H11 | 163.1° | 179.7° |
| C10 | C11 | H1 | H2 | 120.0° | 120.0° |
| C10 | C11 | H1 | H3 | 120.0° | 120.1° |
| C10 | C11 | H2 | H3 | 120.0° | 120.1° |
| C11 | C10 | N1 | H11 | 12.7° | 0.0° |
| H1 | C11 | H2 | H3 | 120.0° | 120.0° |
| H5 | C2 | C3 | H6 | 0.8° | 0.1° |
| H6 | C3 | C4 | H7 | 0.5° | 0.0° |
| H8 | C6 | C7 | H9 | 4.1° | 0.1° |
| H8 | C6 | C7 | H10 | 144.5° | 144.9° |
| H8 | C6 | C8 | H13 | 146.4° | 145.1° |
| H9 | C7 | C8 | H13 | 144.1° | 145.1° |
| H10 | C7 | C8 | H13 | 3.7° | 0.0° |
| H11 | N1 | N | H12 | 119.1° | 180.0° |
| H14 | C | H15 | H16 | 120.0° | 120.1° |
