2VF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | N | sing | 1.46Å | 1.47Å | |
| C13 | N1 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C3 | sing | 1.38Å | 1.35Å | Aromatic |
| N | C11 | sing | 1.37Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.48Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C8 | sing | 1.53Å | 1.54Å | |
| C11 | C5 | doub | 1.35Å | 1.48Å | Aromatic |
| C | CL | sing | 1.74Å | 1.79Å | |
| C | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.46Å | 1.47Å | Aromatic |
| C4 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| O1 | C9 | doub | 1.21Å | 1.24Å | |
| C9 | O | sing | 1.34Å | 1.32Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| O | H10 | sing | 0.97Å | 0.95Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C13 | C12 | 117.9° | 120.0° |
| O2 | C13 | N1 | 122.8° | 120.1° |
| C13 | C12 | N | 114.3° | 109.5° |
| C12 | C13 | N1 | 119.3° | 120.0° |
| C13 | C12 | H3 | 108.2° | 109.5° |
| C13 | C12 | H4 | 108.2° | 109.5° |
| C12 | N | C3 | 124.3° | 125.1° |
| C12 | N | C11 | 124.9° | 125.0° |
| N | C12 | H3 | 108.3° | 109.4° |
| N | C12 | H4 | 108.2° | 109.5° |
| C13 | N1 | H1 | 120.0° | 119.9° |
| C13 | N1 | H2 | 120.0° | 120.0° |
| C3 | C2 | C1 | 119.2° | 120.0° |
| C2 | C3 | N | 132.5° | 133.3° |
| C2 | C3 | C4 | 117.3° | 119.4° |
| C3 | C2 | H5 | 120.4° | 120.0° |
| C2 | C1 | C | 122.7° | 120.6° |
| C1 | C2 | H5 | 120.4° | 120.0° |
| C2 | C1 | H6 | 118.6° | 119.7° |
| C3 | N | C11 | 110.8° | 109.9° |
| N | C3 | C4 | 110.2° | 107.3° |
| N | C11 | C10 | 127.2° | 126.7° |
| N | C11 | C5 | 109.7° | 109.7° |
| C3 | C4 | C5 | 104.0° | 105.9° |
| C3 | C4 | C14 | 122.2° | 119.9° |
| C1 | C | CL | 114.6° | 119.8° |
| C1 | C | C14 | 121.6° | 120.3° |
| C | C1 | H6 | 118.6° | 119.7° |
| C11 | C10 | C8 | 109.4° | 108.5° |
| C10 | C11 | C5 | 123.1° | 123.6° |
| C11 | C10 | H7 | 109.5° | 109.6° |
| C11 | C10 | H8 | 109.5° | 109.6° |
| C10 | C8 | C9 | 112.5° | 109.5° |
| C10 | C8 | C7 | 113.7° | 109.5° |
| C8 | C10 | H7 | 109.5° | 109.7° |
| C8 | C10 | H8 | 109.5° | 109.6° |
| C10 | C8 | H9 | 107.7° | 109.5° |
| C11 | C5 | C4 | 105.2° | 107.3° |
| C11 | C5 | C6 | 124.3° | 124.7° |
| CL | C | C14 | 123.8° | 119.8° |
| C | C14 | C4 | 117.0° | 119.7° |
| C | C14 | H15 | 121.5° | 120.1° |
| C5 | C4 | C14 | 133.8° | 134.3° |
| C4 | C5 | C6 | 130.4° | 127.9° |
| C4 | C14 | H15 | 121.5° | 120.2° |
| C9 | C8 | C7 | 106.5° | 109.5° |
| C8 | C9 | O1 | 124.5° | 120.0° |
| C8 | C9 | O | 115.8° | 120.0° |
| C9 | C8 | H9 | 108.2° | 109.5° |
| C8 | C7 | C6 | 113.1° | 109.3° |
| C7 | C8 | H9 | 107.9° | 109.4° |
| C8 | C7 | H11 | 108.5° | 109.5° |
| C8 | C7 | H12 | 108.5° | 109.5° |
| C5 | C6 | C7 | 106.8° | 108.4° |
| C5 | C6 | H13 | 110.1° | 109.6° |
| C5 | C6 | H14 | 110.1° | 109.8° |
| O1 | C9 | O | 119.7° | 120.0° |
| C9 | O | H10 | 109.5° | 117.0° |
| C6 | C7 | H11 | 108.5° | 109.5° |
| C6 | C7 | H12 | 108.5° | 109.5° |
| C7 | C6 | H13 | 110.1° | 109.7° |
| C7 | C6 | H14 | 110.1° | 109.7° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.8° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | C12 | N1 | 179.2° | 179.7° |
| O2 | C13 | C12 | N | 178.9° | 0.0° |
| O2 | C13 | N1 | H1 | 0.0° | 0.0° |
| O2 | C13 | N1 | H2 | 180.0° | 180.0° |
| O2 | C13 | C12 | H3 | 60.3° | 120.0° |
| O2 | C13 | C12 | H4 | 58.2° | 120.0° |
| C13 | C12 | N | H3 | 120.7° | 120.0° |
| C13 | C12 | N | H4 | 120.7° | 120.0° |
| C13 | C12 | N | C3 | 85.8° | 90.0° |
| C13 | C12 | N | C11 | 95.5° | 90.3° |
| C12 | C13 | N1 | H1 | 179.2° | 179.7° |
| C12 | C13 | N1 | H2 | 0.9° | 0.3° |
| C13 | C12 | H3 | H4 | 117.8° | 120.0° |
| N | C12 | C13 | N1 | 1.9° | 179.7° |
| C12 | N | C3 | C2 | 2.3° | 0.1° |
| C12 | N | C3 | C11 | 178.8° | 179.7° |
| C12 | N | C3 | C4 | 178.9° | 179.9° |
| C12 | N | C11 | C10 | 1.1° | 0.0° |
| C12 | N | C11 | C5 | 178.4° | 179.9° |
| N | C12 | H3 | H4 | 117.8° | 120.0° |
| C13 | N1 | H1 | H2 | 180.0° | 180.0° |
| N1 | C13 | C12 | H3 | 118.9° | 60.3° |
| N1 | C13 | C12 | H4 | 122.6° | 59.7° |
| C3 | C2 | C1 | H5 | 180.0° | 180.0° |
| C2 | C3 | N | C4 | 178.8° | 180.0° |
| C2 | C3 | N | C11 | 178.9° | 179.7° |
| C3 | C2 | C1 | C | 1.1° | 0.0° |
| C2 | C3 | C4 | C5 | 179.5° | 179.8° |
| C2 | C3 | C4 | C14 | 0.3° | 0.0° |
| C3 | C2 | C1 | H6 | 178.9° | 179.9° |
| C1 | C2 | C3 | N | 179.6° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | C1 | C | H6 | 180.0° | 179.9° |
| C2 | C1 | C | CL | 179.9° | 179.9° |
| C2 | C1 | C | C14 | 0.7° | 0.0° |
| C3 | N | C11 | C10 | 179.9° | 179.7° |
| C3 | N | C11 | C5 | 0.4° | 0.3° |
| N | C3 | C4 | C5 | 0.6° | 0.2° |
| N | C3 | C4 | C14 | 179.3° | 180.0° |
| C3 | N | C12 | H3 | 153.5° | 30.0° |
| C3 | N | C12 | H4 | 34.9° | 150.0° |
| N | C3 | C2 | H5 | 0.4° | 0.1° |
| C11 | N | C3 | C4 | 0.1° | 0.3° |
| N | C11 | C10 | C5 | 179.4° | 180.0° |
| N | C11 | C10 | C8 | 171.7° | 163.1° |
| N | C11 | C5 | C4 | 0.8° | 0.2° |
| N | C11 | C5 | C6 | 179.6° | 179.9° |
| C11 | N | C12 | H3 | 25.2° | 149.7° |
| C11 | N | C12 | H4 | 143.8° | 29.7° |
| N | C11 | C10 | H7 | 68.3° | 77.1° |
| N | C11 | C10 | H8 | 51.7° | 43.4° |
| C3 | C4 | C5 | C11 | 0.8° | 0.0° |
| C3 | C4 | C14 | C | 0.1° | 0.0° |
| C3 | C4 | C5 | C14 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 179.5° | 179.7° |
| C4 | C3 | C2 | H5 | 179.1° | 180.0° |
| C3 | C4 | C14 | H15 | 179.9° | 180.0° |
| C1 | C | CL | C14 | 179.4° | 180.0° |
| C1 | C | C14 | C4 | 0.0° | 0.0° |
| C | C1 | C2 | H5 | 178.9° | 179.9° |
| C1 | C | C14 | H15 | 180.0° | 180.0° |
| C11 | C10 | C8 | H7 | 120.0° | 119.7° |
| C11 | C10 | C8 | H8 | 120.0° | 119.7° |
| C10 | C11 | C5 | C4 | 179.8° | 179.9° |
| C11 | C10 | C8 | C9 | 159.9° | 170.3° |
| C11 | C10 | C8 | C7 | 38.7° | 50.2° |
| C10 | C11 | C5 | C6 | 0.9° | 0.1° |
| C11 | C10 | H7 | H8 | 120.0° | 120.4° |
| C11 | C10 | C8 | H9 | 80.9° | 69.8° |
| C8 | C10 | C11 | C5 | 7.7° | 16.9° |
| C10 | C8 | C9 | C7 | 125.3° | 120.1° |
| C10 | C8 | C9 | H9 | 118.9° | 120.0° |
| C10 | C8 | C7 | H9 | 119.5° | 120.0° |
| C10 | C8 | C9 | O1 | 17.8° | 0.0° |
| C10 | C8 | C9 | O | 161.7° | 180.0° |
| C10 | C8 | C7 | C6 | 65.4° | 70.0° |
| C8 | C10 | H7 | H8 | 120.0° | 120.5° |
| C10 | C8 | C7 | H11 | 55.1° | 49.9° |
| C10 | C8 | C7 | H12 | 174.1° | 170.0° |
| C11 | C5 | C4 | C6 | 178.7° | 179.8° |
| C11 | C5 | C4 | C14 | 179.1° | 179.7° |
| C11 | C5 | C6 | C7 | 20.4° | 16.4° |
| C5 | C11 | C10 | H7 | 112.3° | 102.9° |
| C5 | C11 | C10 | H8 | 127.7° | 136.5° |
| C11 | C5 | C6 | H13 | 99.2° | 136.0° |
| C11 | C5 | C6 | H14 | 140.0° | 103.4° |
| CL | C | C14 | C4 | 179.4° | 179.9° |
| CL | C | C1 | H6 | 0.1° | 0.0° |
| CL | C | C14 | H15 | 0.6° | 0.0° |
| C | C14 | C4 | C5 | 179.9° | 179.7° |
| C | C14 | C4 | H15 | 180.0° | 180.0° |
| C14 | C | C1 | H6 | 179.3° | 179.9° |
| C4 | C5 | C6 | C7 | 158.1° | 163.4° |
| C4 | C5 | C6 | H13 | 82.3° | 43.7° |
| C4 | C5 | C6 | H14 | 38.5° | 76.9° |
| C5 | C4 | C14 | H15 | 0.0° | 0.3° |
| C14 | C4 | C5 | C6 | 0.4° | 0.0° |
| C9 | C8 | C7 | H9 | 116.0° | 120.0° |
| C8 | C9 | O1 | O | 179.5° | 180.0° |
| C9 | C8 | C7 | C6 | 170.0° | 170.0° |
| C9 | C8 | C10 | H7 | 39.9° | 50.6° |
| C9 | C8 | C10 | H8 | 80.1° | 70.1° |
| C8 | C9 | O | H10 | 179.5° | 180.0° |
| C9 | C8 | C7 | H11 | 69.4° | 70.1° |
| C9 | C8 | C7 | H12 | 49.5° | 50.0° |
| C8 | C7 | C6 | C5 | 51.5° | 49.5° |
| C7 | C8 | C9 | O1 | 107.5° | 120.1° |
| C7 | C8 | C9 | O | 73.0° | 59.9° |
| C8 | C7 | C6 | H11 | 120.5° | 119.9° |
| C8 | C7 | C6 | H12 | 120.5° | 120.0° |
| C7 | C8 | C10 | H7 | 81.3° | 69.5° |
| C7 | C8 | C10 | H8 | 158.6° | 169.9° |
| C8 | C7 | H11 | H12 | 118.3° | 120.1° |
| C8 | C7 | C6 | H13 | 68.1° | 169.1° |
| C8 | C7 | C6 | H14 | 171.0° | 70.3° |
| C5 | C6 | C7 | H13 | 119.6° | 119.6° |
| C5 | C6 | C7 | H14 | 119.6° | 119.9° |
| C5 | C6 | C7 | H11 | 69.1° | 70.4° |
| C5 | C6 | C7 | H12 | 172.0° | 169.5° |
| C5 | C6 | H13 | H14 | 121.2° | 120.6° |
| O1 | C9 | C8 | H9 | 136.7° | 120.0° |
| O1 | C9 | O | H10 | 0.0° | 0.0° |
| O | C9 | C8 | H9 | 42.8° | 60.0° |
| C6 | C7 | C8 | H9 | 54.1° | 50.0° |
| C6 | C7 | H11 | H12 | 118.3° | 120.1° |
| C7 | C6 | H13 | H14 | 121.2° | 120.5° |
| H5 | C2 | C1 | H6 | 1.1° | 0.0° |
| H7 | C10 | C8 | H9 | 159.1° | 170.5° |
| H8 | C10 | C8 | H9 | 39.1° | 49.9° |
| H9 | C8 | C7 | H11 | 174.6° | 169.9° |
| H9 | C8 | C7 | H12 | 66.5° | 70.0° |
| H11 | C7 | C6 | H13 | 171.4° | 49.2° |
| H11 | C7 | C6 | H14 | 50.5° | 169.7° |
| H12 | C7 | C6 | H13 | 52.4° | 70.9° |
| H12 | C7 | C6 | H14 | 68.4° | 49.7° |
