V4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C13 | sing | 1.35Å | 1.32Å | |
| C13 | O | doub | 1.21Å | 1.15Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C12 | N | sing | 1.47Å | 1.54Å | |
| C11 | N | sing | 1.47Å | 1.45Å | |
| N | C10 | sing | 1.47Å | 1.47Å | |
| C10 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.45Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.30Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.32Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.29Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.33Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.49Å | |
| N1 | H22 | sing | 0.97Å | 1.00Å | |
| N1 | H21 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C13 | O | 121.3° | 119.9° |
| N1 | C13 | C12 | 117.7° | 120.1° |
| C13 | N1 | H22 | 120.0° | 120.0° |
| C13 | N1 | H21 | 120.0° | 120.0° |
| O | C13 | C12 | 120.9° | 120.0° |
| C13 | C12 | N | 107.9° | 109.5° |
| C13 | C12 | H20 | 109.8° | 109.4° |
| C13 | C12 | H19 | 109.9° | 109.4° |
| C12 | N | C11 | 107.9° | 111.0° |
| C12 | N | C10 | 110.9° | 111.0° |
| N | C12 | H20 | 109.9° | 109.5° |
| N | C12 | H19 | 109.9° | 109.5° |
| C11 | N | C10 | 113.0° | 111.0° |
| N | C11 | H18 | 109.5° | 109.5° |
| N | C11 | H16 | 109.5° | 109.5° |
| N | C11 | H17 | 109.5° | 109.4° |
| N | C10 | C7 | 112.1° | 109.5° |
| N | C10 | H14 | 108.8° | 109.5° |
| N | C10 | H15 | 108.8° | 109.4° |
| C10 | C7 | C8 | 100.9° | 109.5° |
| C10 | C7 | C9 | 117.0° | 109.5° |
| C10 | C7 | C4 | 102.1° | 109.5° |
| C7 | C10 | H14 | 108.8° | 109.5° |
| C7 | C10 | H15 | 108.8° | 109.5° |
| C8 | C7 | C9 | 107.1° | 109.5° |
| C8 | C7 | C4 | 120.2° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C9 | C7 | C4 | 109.8° | 109.4° |
| C7 | C9 | H12 | 109.5° | 109.5° |
| C7 | C9 | H13 | 109.5° | 109.4° |
| C7 | C9 | H11 | 109.5° | 109.4° |
| C7 | C4 | C5 | 122.5° | 120.0° |
| C7 | C4 | C3 | 121.0° | 120.0° |
| C5 | C4 | C3 | 116.5° | 120.0° |
| C4 | C5 | C6 | 121.0° | 120.0° |
| C4 | C5 | H6 | 119.5° | 120.0° |
| C4 | C3 | C2 | 119.9° | 120.0° |
| C4 | C3 | H5 | 120.1° | 120.0° |
| C5 | C6 | C1 | 122.3° | 120.0° |
| C6 | C5 | H6 | 119.5° | 120.1° |
| C5 | C6 | H7 | 118.9° | 119.9° |
| C3 | C2 | C1 | 121.1° | 120.0° |
| C2 | C3 | H5 | 120.0° | 120.0° |
| C3 | C2 | H4 | 119.4° | 120.0° |
| C6 | C1 | C2 | 119.2° | 120.0° |
| C6 | C1 | C | 114.9° | 120.0° |
| C1 | C6 | H7 | 118.9° | 120.0° |
| C2 | C1 | C | 125.8° | 120.0° |
| C1 | C2 | H4 | 119.5° | 120.0° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.5° |
| H22 | N1 | H21 | 120.0° | 120.0° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.4° |
| H12 | C9 | H11 | 109.4° | 109.6° |
| H13 | C9 | H11 | 109.5° | 109.5° |
| H20 | C12 | H19 | 109.5° | 109.5° |
| H18 | C11 | H16 | 109.4° | 109.5° |
| H18 | C11 | H17 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.4° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C13 | O | C12 | 178.6° | 179.9° |
| N1 | C13 | C12 | N | 171.8° | 179.9° |
| C13 | N1 | H22 | H21 | 180.0° | 179.6° |
| N1 | C13 | C12 | H20 | 52.1° | 59.9° |
| N1 | C13 | C12 | H19 | 68.4° | 60.0° |
| O | C13 | C12 | N | 9.5° | 0.0° |
| O | C13 | N1 | H22 | 0.0° | 0.1° |
| O | C13 | N1 | H21 | 180.0° | 179.7° |
| O | C13 | C12 | H20 | 129.3° | 120.0° |
| O | C13 | C12 | H19 | 110.2° | 120.0° |
| C13 | C12 | N | H20 | 119.8° | 120.0° |
| C13 | C12 | N | H19 | 119.8° | 120.0° |
| C13 | C12 | N | C11 | 84.9° | 73.0° |
| C13 | C12 | N | C10 | 150.8° | 163.1° |
| C12 | C13 | N1 | H22 | 178.7° | 180.0° |
| C12 | C13 | N1 | H21 | 1.3° | 0.4° |
| C13 | C12 | H20 | H19 | 120.7° | 119.9° |
| C12 | N | C11 | C10 | 123.0° | 124.0° |
| C12 | N | C10 | C7 | 108.5° | 86.3° |
| N | C12 | H20 | H19 | 120.7° | 120.0° |
| C12 | N | C11 | H18 | 180.0° | 62.7° |
| C12 | N | C11 | H16 | 60.0° | 177.3° |
| C12 | N | C11 | H17 | 60.0° | 57.3° |
| C12 | N | C10 | H14 | 131.1° | 33.8° |
| C12 | N | C10 | H15 | 11.9° | 153.7° |
| C11 | N | C10 | C7 | 130.1° | 149.7° |
| C11 | N | C12 | H20 | 34.8° | 47.0° |
| C11 | N | C12 | H19 | 155.3° | 167.1° |
| N | C11 | H18 | H16 | 120.0° | 120.0° |
| N | C11 | H18 | H17 | 120.0° | 119.9° |
| N | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | N | C10 | H14 | 9.8° | 90.2° |
| C11 | N | C10 | H15 | 109.5° | 29.8° |
| N | C10 | C7 | H14 | 120.4° | 120.0° |
| N | C10 | C7 | H15 | 120.4° | 119.9° |
| N | C10 | C7 | C8 | 54.7° | 54.7° |
| N | C10 | C7 | C9 | 61.0° | 65.4° |
| N | C10 | C7 | C4 | 179.1° | 174.7° |
| C10 | N | C12 | H20 | 89.4° | 77.0° |
| C10 | N | C12 | H19 | 31.0° | 43.1° |
| C10 | N | C11 | H18 | 57.0° | 61.3° |
| C10 | N | C11 | H16 | 177.0° | 58.8° |
| C10 | N | C11 | H17 | 63.0° | 178.8° |
| N | C10 | H14 | H15 | 118.8° | 119.9° |
| C10 | C7 | C8 | C9 | 122.9° | 120.0° |
| C10 | C7 | C8 | C4 | 111.0° | 120.0° |
| C10 | C7 | C9 | C4 | 115.7° | 120.0° |
| C10 | C7 | C4 | C5 | 100.7° | 180.0° |
| C10 | C7 | C4 | C3 | 78.7° | 0.2° |
| C10 | C7 | C8 | H8 | 180.0° | 60.5° |
| C10 | C7 | C8 | H9 | 60.0° | 59.4° |
| C10 | C7 | C8 | H10 | 60.0° | 179.5° |
| C10 | C7 | C9 | H12 | 180.0° | 50.6° |
| C10 | C7 | C9 | H13 | 60.0° | 69.4° |
| C10 | C7 | C9 | H11 | 60.0° | 170.6° |
| C7 | C10 | H14 | H15 | 118.8° | 120.0° |
| C8 | C7 | C9 | C4 | 132.1° | 120.0° |
| C8 | C7 | C4 | C5 | 9.7° | 60.0° |
| C8 | C7 | C4 | C3 | 170.9° | 120.2° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C8 | C7 | C9 | H12 | 67.8° | 170.6° |
| C8 | C7 | C9 | H13 | 52.2° | 50.7° |
| C8 | C7 | C9 | H11 | 172.2° | 69.3° |
| C8 | C7 | C10 | H14 | 175.1° | 174.7° |
| C8 | C7 | C10 | H15 | 65.7° | 65.3° |
| C9 | C7 | C4 | C5 | 134.5° | 60.0° |
| C9 | C7 | C4 | C3 | 46.1° | 119.8° |
| C9 | C7 | C8 | H8 | 57.1° | 59.5° |
| C9 | C7 | C8 | H9 | 177.1° | 179.4° |
| C9 | C7 | C8 | H10 | 62.9° | 60.5° |
| C7 | C9 | H12 | H13 | 120.0° | 119.9° |
| C7 | C9 | H12 | H11 | 120.0° | 120.0° |
| C7 | C9 | H13 | H11 | 120.0° | 120.0° |
| C9 | C7 | C10 | H14 | 59.4° | 54.7° |
| C9 | C7 | C10 | H15 | 178.6° | 174.7° |
| C7 | C4 | C5 | C3 | 179.5° | 179.8° |
| C7 | C4 | C5 | C6 | 178.6° | 180.0° |
| C7 | C4 | C3 | C2 | 179.4° | 180.0° |
| C4 | C7 | C8 | H8 | 69.0° | 179.5° |
| C4 | C7 | C8 | H9 | 51.0° | 60.6° |
| C4 | C7 | C8 | H10 | 171.0° | 59.5° |
| C4 | C7 | C9 | H12 | 64.3° | 69.4° |
| C4 | C7 | C9 | H13 | 175.7° | 170.7° |
| C4 | C7 | C9 | H11 | 55.7° | 50.7° |
| C7 | C4 | C5 | H6 | 1.4° | 0.1° |
| C7 | C4 | C3 | H5 | 0.6° | 0.1° |
| C4 | C7 | C10 | H14 | 60.5° | 65.3° |
| C4 | C7 | C10 | H15 | 58.7° | 54.8° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.2° | 0.2° |
| C4 | C5 | C6 | C1 | 1.1° | 0.0° |
| C4 | C5 | C6 | H7 | 178.9° | 180.0° |
| C5 | C4 | C3 | H5 | 178.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.9° | 0.2° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 3.0° | 0.1° |
| C3 | C4 | C5 | H6 | 179.1° | 179.7° |
| C4 | C3 | C2 | H4 | 176.9° | 180.0° |
| C5 | C6 | C1 | H7 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.8° | 0.3° |
| C5 | C6 | C1 | C | 175.7° | 180.0° |
| C3 | C2 | C1 | C6 | 2.9° | 0.3° |
| C3 | C2 | C1 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 173.2° | 179.9° |
| C6 | C1 | C2 | C | 176.1° | 179.8° |
| C1 | C6 | C5 | H6 | 178.9° | 180.0° |
| C6 | C1 | C2 | H4 | 177.1° | 179.7° |
| C6 | C1 | C | H1 | 91.5° | 90.0° |
| C6 | C1 | C | H2 | 148.5° | 150.0° |
| C6 | C1 | C | H3 | 28.5° | 30.0° |
| C2 | C1 | C6 | H7 | 179.2° | 179.7° |
| C1 | C2 | C3 | H5 | 176.9° | 179.9° |
| C2 | C1 | C | H1 | 92.3° | 90.3° |
| C2 | C1 | C | H2 | 27.7° | 29.7° |
| C2 | C1 | C | H3 | 147.7° | 149.7° |
| C | C1 | C6 | H7 | 4.3° | 0.1° |
| C | C1 | C2 | H4 | 6.8° | 0.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| H12 | C9 | H13 | H11 | 120.0° | 120.1° |
| H6 | C5 | C6 | H7 | 1.1° | 0.0° |
| H5 | C3 | C2 | H4 | 3.1° | 0.1° |
| H18 | C11 | H16 | H17 | 120.0° | 120.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
