IL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.48Å | 1.50Å | |
| C1 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| N2 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
| C3 | O18 | doub | 1.22Å | 1.23Å | |
| C3 | N7 | sing | 1.35Å | 1.36Å | |
| N4 | C5 | doub | 1.31Å | 1.32Å | Aromatic |
| N4 | N6 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | N7 | sing | 1.40Å | 1.42Å | |
| C5 | C8 | sing | 1.40Å | 1.43Å | Aromatic |
| N6 | C12 | sing | 1.46Å | 1.46Å | |
| N6 | C14 | sing | 1.35Å | 1.36Å | Aromatic |
| C8 | C14 | doub | 1.35Å | 1.36Å | Aromatic |
| C9 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | N15 | sing | 1.39Å | 1.40Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | F25 | sing | 1.40Å | 1.41Å | |
| C10 | F26 | sing | 1.40Å | 1.39Å | |
| C10 | F27 | sing | 1.40Å | 1.37Å | |
| C11 | C13 | sing | 1.51Å | 1.52Å | |
| C11 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C16 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.53Å | 1.56Å | |
| N15 | C22 | sing | 1.40Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| N19 | C28 | doub | 1.32Å | 1.35Å | Aromatic |
| N19 | C24 | sing | 1.32Å | 1.33Å | Aromatic |
| N20 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| N20 | C29 | sing | 1.32Å | 1.34Å | Aromatic |
| C21 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| N7 | H10 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C9 | 122.1° | 119.8° |
| C3 | C1 | N2 | 117.4° | 119.8° |
| C1 | C3 | O18 | 124.1° | 120.0° |
| C1 | C3 | N7 | 114.0° | 120.0° |
| C9 | C1 | N2 | 120.4° | 120.4° |
| C1 | C9 | C21 | 118.8° | 118.9° |
| C1 | C9 | N15 | 119.1° | 120.5° |
| C1 | N2 | C11 | 120.9° | 121.7° |
| N2 | C11 | C13 | 118.9° | 119.4° |
| N2 | C11 | C23 | 121.5° | 121.2° |
| O18 | C3 | N7 | 121.7° | 120.0° |
| C3 | N7 | C5 | 127.4° | 120.0° |
| C3 | N7 | H10 | 116.3° | 120.0° |
| C5 | N4 | N6 | 108.4° | 108.2° |
| N4 | C5 | N7 | 122.7° | 126.0° |
| N4 | C5 | C8 | 107.4° | 108.0° |
| N4 | N6 | C12 | 124.0° | 126.0° |
| N4 | N6 | C14 | 108.9° | 108.0° |
| N7 | C5 | C8 | 129.9° | 126.0° |
| C5 | N7 | H10 | 116.3° | 120.0° |
| C5 | C8 | C14 | 108.6° | 107.9° |
| C5 | C8 | H11 | 125.7° | 126.0° |
| C12 | N6 | C14 | 127.1° | 126.0° |
| N6 | C12 | C10 | 109.9° | 109.5° |
| N6 | C12 | H12 | 109.4° | 109.4° |
| N6 | C12 | H13 | 109.4° | 109.5° |
| N6 | C14 | C8 | 106.6° | 107.9° |
| N6 | C14 | H14 | 126.7° | 126.0° |
| C14 | C8 | H11 | 125.7° | 126.1° |
| C8 | C14 | H14 | 126.6° | 126.1° |
| C21 | C9 | N15 | 122.0° | 120.6° |
| C9 | C21 | C23 | 119.3° | 118.5° |
| C9 | C21 | H6 | 120.4° | 120.7° |
| C9 | N15 | C22 | 128.2° | 120.0° |
| C9 | N15 | H15 | 115.9° | 120.0° |
| C12 | C10 | F25 | 105.6° | 109.5° |
| C12 | C10 | F26 | 113.3° | 109.5° |
| C12 | C10 | F27 | 112.3° | 109.5° |
| C10 | C12 | H12 | 109.4° | 109.5° |
| C10 | C12 | H13 | 109.3° | 109.5° |
| F25 | C10 | F26 | 112.8° | 109.5° |
| F25 | C10 | F27 | 113.6° | 109.4° |
| F26 | C10 | F27 | 99.5° | 109.5° |
| C13 | C11 | C23 | 119.6° | 119.4° |
| C11 | C13 | C16 | 122.3° | 117.5° |
| C11 | C13 | C17 | 116.1° | 117.5° |
| C11 | C13 | H1 | 115.8° | 115.6° |
| C11 | C23 | C21 | 119.1° | 119.5° |
| C11 | C23 | H7 | 120.5° | 120.3° |
| C16 | C13 | C17 | 59.8° | 60.0° |
| C13 | C16 | C17 | 61.1° | 60.0° |
| C16 | C13 | H1 | 115.7° | 117.5° |
| C13 | C16 | H2 | 119.8° | 117.5° |
| C13 | C16 | H3 | 119.8° | 117.5° |
| C13 | C17 | C16 | 59.0° | 60.0° |
| C17 | C13 | H1 | 115.1° | 117.5° |
| C13 | C17 | H4 | 120.2° | 117.5° |
| C13 | C17 | H5 | 120.1° | 117.5° |
| N15 | C22 | C28 | 120.5° | 120.9° |
| N15 | C22 | C29 | 121.2° | 120.9° |
| C22 | N15 | H15 | 115.9° | 120.0° |
| C17 | C16 | H2 | 119.8° | 117.4° |
| C17 | C16 | H3 | 119.8° | 117.5° |
| C16 | C17 | H4 | 120.2° | 117.5° |
| C16 | C17 | H5 | 120.2° | 117.5° |
| C28 | N19 | C24 | 119.4° | 120.9° |
| N19 | C28 | C22 | 121.0° | 119.0° |
| N19 | C28 | H9 | 119.5° | 120.5° |
| N19 | C24 | N20 | 120.0° | 121.9° |
| N19 | C24 | H8 | 120.0° | 119.0° |
| C24 | N20 | C29 | 124.8° | 120.9° |
| N20 | C24 | H8 | 120.0° | 119.0° |
| N20 | C29 | C22 | 116.4° | 119.0° |
| N20 | C29 | H16 | 121.8° | 120.5° |
| C23 | C21 | H6 | 120.4° | 120.8° |
| C21 | C23 | H7 | 120.4° | 120.3° |
| C28 | C22 | C29 | 118.3° | 118.2° |
| C22 | C28 | H9 | 119.5° | 120.5° |
| C22 | C29 | H16 | 121.7° | 120.5° |
| H2 | C16 | H3 | 109.5° | 115.6° |
| H4 | C17 | H5 | 109.5° | 115.6° |
| H12 | C12 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C9 | N2 | 177.2° | 179.7° |
| C3 | C1 | N2 | C11 | 177.0° | 179.8° |
| C1 | C3 | O18 | N7 | 175.5° | 179.9° |
| C1 | C3 | N7 | C5 | 177.1° | 180.0° |
| C3 | C1 | C9 | C21 | 177.6° | 180.0° |
| C3 | C1 | C9 | N15 | 4.1° | 0.0° |
| C1 | C3 | N7 | H10 | 2.9° | 0.0° |
| C9 | C1 | N2 | C11 | 0.3° | 0.1° |
| C9 | C1 | C3 | O18 | 10.5° | 5.9° |
| C9 | C1 | C3 | N7 | 165.3° | 174.0° |
| C1 | C9 | C21 | N15 | 178.3° | 180.0° |
| C1 | C9 | N15 | C22 | 162.9° | 76.7° |
| C1 | C9 | C21 | C23 | 1.4° | 0.3° |
| C1 | C9 | C21 | H6 | 178.6° | 179.8° |
| C1 | C9 | N15 | H15 | 17.1° | 103.3° |
| N2 | C1 | C3 | O18 | 172.2° | 174.4° |
| N2 | C1 | C3 | N7 | 12.0° | 5.7° |
| N2 | C1 | C9 | C21 | 0.4° | 0.3° |
| N2 | C1 | C9 | N15 | 178.8° | 179.7° |
| C1 | N2 | C11 | C13 | 179.2° | 180.0° |
| C1 | N2 | C11 | C23 | 0.0° | 0.2° |
| N2 | C11 | C13 | C23 | 179.2° | 179.8° |
| N2 | C11 | C13 | C16 | 46.6° | 94.8° |
| N2 | C11 | C13 | C17 | 22.8° | 163.4° |
| N2 | C11 | C23 | C21 | 1.1° | 0.2° |
| N2 | C11 | C13 | H1 | 162.4° | 50.9° |
| N2 | C11 | C23 | H7 | 178.9° | 179.7° |
| O18 | C3 | N7 | C5 | 1.2° | 0.0° |
| O18 | C3 | N7 | H10 | 178.8° | 179.9° |
| C3 | N7 | C5 | N4 | 157.4° | 179.9° |
| C3 | N7 | C5 | H10 | 180.0° | 180.0° |
| C3 | N7 | C5 | C8 | 21.7° | 0.0° |
| N4 | C5 | N7 | C8 | 179.1° | 179.9° |
| C5 | N4 | N6 | C12 | 178.6° | 180.0° |
| C5 | N4 | N6 | C14 | 0.0° | 0.0° |
| N4 | C5 | C8 | C14 | 1.2° | 0.0° |
| N4 | C5 | N7 | H10 | 22.6° | 0.1° |
| N4 | C5 | C8 | H11 | 178.8° | 180.0° |
| N6 | N4 | C5 | N7 | 180.0° | 180.0° |
| N6 | N4 | C5 | C8 | 0.7° | 0.0° |
| N4 | N6 | C12 | C14 | 178.3° | 179.9° |
| N4 | N6 | C14 | C8 | 0.8° | 0.0° |
| N4 | N6 | C12 | C10 | 65.9° | 55.0° |
| N4 | N6 | C12 | H12 | 174.0° | 175.1° |
| N4 | N6 | C12 | H13 | 54.2° | 65.0° |
| N4 | N6 | C14 | H14 | 179.3° | 180.0° |
| N7 | C5 | C8 | C14 | 179.6° | 180.0° |
| N7 | C5 | C8 | H11 | 0.4° | 0.0° |
| C5 | C8 | C14 | N6 | 1.2° | 0.0° |
| C5 | C8 | C14 | H11 | 180.0° | 180.0° |
| C8 | C5 | N7 | H10 | 158.3° | 180.0° |
| C5 | C8 | C14 | H14 | 178.9° | 180.0° |
| C12 | N6 | C14 | C8 | 179.3° | 180.0° |
| N6 | C12 | C10 | H12 | 120.1° | 120.0° |
| N6 | C12 | C10 | H13 | 120.1° | 120.0° |
| N6 | C12 | C10 | F25 | 63.1° | 60.0° |
| N6 | C12 | C10 | F26 | 173.1° | 180.0° |
| N6 | C12 | C10 | F27 | 61.3° | 60.0° |
| N6 | C12 | H12 | H13 | 119.8° | 120.0° |
| C12 | N6 | C14 | H14 | 0.7° | 0.1° |
| N6 | C14 | C8 | H14 | 180.0° | 180.0° |
| C14 | N6 | C12 | C10 | 115.8° | 125.0° |
| N6 | C14 | C8 | H11 | 178.8° | 180.0° |
| C14 | N6 | C12 | H12 | 4.3° | 5.0° |
| C14 | N6 | C12 | H13 | 124.2° | 115.0° |
| C9 | C21 | C23 | C11 | 1.8° | 0.1° |
| C21 | C9 | N15 | C22 | 15.4° | 103.3° |
| C9 | C21 | C23 | H6 | 180.0° | 179.9° |
| C9 | C21 | C23 | H7 | 178.2° | 180.0° |
| C21 | C9 | N15 | H15 | 164.6° | 76.7° |
| C9 | N15 | C22 | H15 | 180.0° | 180.0° |
| N15 | C9 | C21 | C23 | 179.8° | 179.7° |
| C9 | N15 | C22 | C28 | 168.3° | 175.5° |
| C9 | N15 | C22 | C29 | 10.2° | 4.2° |
| N15 | C9 | C21 | H6 | 0.2° | 0.2° |
| C12 | C10 | F25 | F26 | 124.2° | 120.0° |
| C12 | C10 | F25 | F27 | 123.5° | 120.0° |
| C12 | C10 | F26 | F27 | 119.4° | 120.0° |
| C10 | C12 | H12 | H13 | 119.8° | 120.0° |
| F25 | C10 | F26 | F27 | 120.7° | 120.0° |
| F25 | C10 | C12 | H12 | 57.0° | 180.0° |
| F25 | C10 | C12 | H13 | 176.9° | 60.0° |
| F26 | C10 | C12 | H12 | 66.9° | 60.0° |
| F26 | C10 | C12 | H13 | 53.0° | 60.0° |
| F27 | C10 | C12 | H12 | 178.7° | 60.0° |
| F27 | C10 | C12 | H13 | 58.8° | 180.0° |
| C11 | C13 | C16 | C17 | 103.6° | 107.5° |
| C11 | C13 | C16 | H1 | 151.0° | 145.0° |
| C11 | C13 | C17 | H1 | 139.9° | 145.1° |
| C13 | C11 | C23 | C21 | 178.1° | 180.0° |
| C11 | C13 | C16 | H2 | 146.7° | 145.1° |
| C11 | C13 | C16 | H3 | 6.2° | 0.0° |
| C11 | C13 | C17 | H4 | 4.6° | 0.0° |
| C11 | C13 | C17 | H5 | 137.0° | 145.0° |
| C13 | C11 | C23 | H7 | 1.9° | 0.1° |
| C23 | C11 | C13 | C16 | 134.2° | 85.0° |
| C23 | C11 | C13 | C17 | 156.4° | 16.4° |
| C11 | C23 | C21 | H7 | 180.0° | 179.9° |
| C23 | C11 | C13 | H1 | 16.8° | 129.3° |
| C11 | C23 | C21 | H6 | 178.2° | 180.0° |
| C16 | C13 | C17 | H1 | 106.4° | 107.5° |
| C13 | C16 | C17 | H2 | 109.8° | 107.5° |
| C13 | C16 | C17 | H3 | 109.8° | 107.5° |
| C13 | C16 | H2 | H3 | 144.1° | 145.7° |
| C16 | C13 | C17 | H4 | 109.2° | 107.5° |
| C16 | C13 | C17 | H5 | 109.2° | 107.5° |
| C13 | C17 | H4 | H5 | 145.2° | 145.7° |
| N15 | C22 | C28 | N19 | 179.6° | 179.7° |
| N15 | C22 | C29 | N20 | 179.5° | 179.7° |
| N15 | C22 | C28 | C29 | 178.5° | 179.7° |
| N15 | C22 | C28 | H9 | 0.5° | 0.3° |
| N15 | C22 | C29 | H16 | 0.5° | 0.3° |
| C17 | C16 | H2 | H3 | 144.1° | 145.7° |
| C16 | C17 | H4 | H5 | 145.3° | 145.7° |
| C28 | N19 | C24 | N20 | 0.2° | 0.0° |
| N19 | C28 | C22 | H9 | 180.0° | 180.0° |
| N19 | C28 | C22 | C29 | 1.1° | 0.0° |
| C28 | N19 | C24 | H8 | 179.8° | 180.0° |
| N19 | C24 | N20 | H8 | 180.0° | 180.0° |
| N19 | C24 | N20 | C29 | 0.9° | 0.0° |
| C24 | N19 | C28 | C22 | 0.1° | 0.0° |
| C24 | N19 | C28 | H9 | 179.9° | 180.0° |
| C24 | N20 | C29 | C22 | 2.0° | 0.0° |
| C24 | N20 | C29 | H16 | 178.0° | 180.0° |
| N20 | C29 | C22 | C28 | 2.0° | 0.0° |
| N20 | C29 | C22 | H16 | 180.0° | 180.0° |
| C29 | N20 | C24 | H8 | 179.1° | 180.0° |
| C28 | C22 | N15 | H15 | 11.7° | 4.5° |
| C28 | C22 | C29 | H16 | 178.0° | 180.0° |
| C29 | C22 | C28 | H9 | 179.0° | 180.0° |
| C29 | C22 | N15 | H15 | 169.8° | 175.8° |
| H1 | C13 | C16 | H2 | 4.3° | 0.1° |
| H1 | C13 | C16 | H3 | 144.8° | 145.0° |
| H1 | C13 | C17 | H4 | 144.4° | 145.0° |
| H1 | C13 | C17 | H5 | 2.9° | 0.0° |
| H2 | C16 | C17 | H4 | 141.0° | 145.1° |
| H2 | C16 | C17 | H5 | 0.6° | 0.0° |
| H3 | C16 | C17 | H4 | 0.5° | 0.1° |
| H3 | C16 | C17 | H5 | 141.1° | 145.0° |
| H6 | C21 | C23 | H7 | 1.8° | 0.1° |
| H11 | C8 | C14 | H14 | 1.1° | 0.0° |
